*HEADER    BIOSYNTHETIC PROTEIN                    07-MAR-09   2KG9              
*TITLE     NMR SOLUTION STRUCTURES OF BUTYRYL-ACP (A NON-POLAR, NON              
*TITLE    2 PATHWAY INTERMEDIATE) FROM THE ACTINORHODIN POLYKETIDE               
*TITLE    3 SYNTHASE IN STREPTOMYCES COELICOLOR                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER              
*COMPND   3 PROTEIN;                                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 SYNONYM: ACP, ACTI ORF3;                                             
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR;                        
*SOURCE   3 ORGANISM_TAXID: 1902;                                                
*SOURCE   4 STRAIN: A3(2);                                                       
*SOURCE   5 GENE: SCBAC28G1.15, SCO5089;                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   9 EXPRESSION_SYSTEM_VARIANT: DE3;                                      
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET11C                                     
*KEYWDS    ACP, POLYKETIDE, FATTY ACID, BUTYRYL, ANTIBIOTIC                      
*KEYWDS   2 BIOSYNTHESIS, PHOSPHOPANTETHEINE, BIOSYNTHETIC PROTEIN               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.P.CRUMP, S.E.EVANS, C.WILLIAMS                                      
*REVDAT   1   14-APR-09 2KG9    0                                                


 ASSI {    2}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.000     0.500     0.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.11562E-01 ppm1      2.755 ppm2      2.338 CV     1
 OR {    2}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {    3}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HB1 ))
      1.500     0.300     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.16788E-01 ppm1      2.083 ppm2      2.540 CV     1
 ASSI {    5}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HB1 ))
      1.600     0.300     0.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.18475E-01 ppm1      1.874 ppm2      2.074 CV     1
 ASSI {    6}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HG11))
      1.600     0.300     0.600 peak     6 spectrum    1 weight  0.10000E+01 volume  0.11498E-01 ppm1      1.284 ppm2      1.746 CV     1
 ASSI {   10}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      2.100     0.500     0.500 peak    10 spectrum    1 weight  0.10000E+01 volume  0.42708E-02 ppm1      2.194 ppm2      1.859 CV     1
 ASSI {   12}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HG11))
      2.400     0.700     0.700 peak    12 spectrum    1 weight  0.10000E+01 volume  0.30863E-02 ppm1      2.452 ppm2      1.839 CV     1
 ASSI {   14}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.700     0.900     0.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.64329E-02 ppm1      4.370 ppm2      2.145 CV     1
 ASSI {   21}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.400     0.700     0.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.65645E-02 ppm1      4.368 ppm2      2.260 CV     1
 ASSI {   25}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      2.900     1.000     1.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.25238E-02 ppm1      3.543 ppm2      1.181 CV     1
 ASSI {   27}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.600     1.600     1.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.85831E-03 ppm1      3.621 ppm2      1.137 CV     1
 ASSI {   28}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      4.600     2.700     1.400 peak    28 spectrum    1 weight  0.10000E+01 volume  0.45755E-03 ppm1      3.625 ppm2      1.221 CV     1
 ASSI {   32}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      3.100     1.200     1.200 peak    32 spectrum    1 weight  0.10000E+01 volume  0.32498E-02 ppm1      1.183 ppm2      4.450 CV     1
 ASSI {   33}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      4.000     2.000     2.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.14977E-02 ppm1      1.182 ppm2      4.299 CV     1
 ASSI {   45}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.600     0.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.79453E-02 ppm1      1.184 ppm2      2.394 CV     1
 ASSI {   48}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      4.300     2.300     1.700 peak    48 spectrum    1 weight  0.10000E+01 volume  0.32220E-03 ppm1      1.183 ppm2      5.265 CV     1
 ASSI {   49}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
      2.700     0.900     0.900 peak    49 spectrum    1 weight  0.10000E+01 volume  0.26476E-02 ppm1      1.184 ppm2      6.943 CV     1
 ASSI {   50}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HD% )
      3.400     1.500     1.500 peak    50 spectrum    1 weight  0.10000E+01 volume  0.12803E-02 ppm1      1.183 ppm2      7.146 CV     1
 ASSI {   52}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      2.100     0.600     0.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.71266E-02 ppm1      1.184 ppm2      7.469 CV     1
 ASSI {   53}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      4.300     2.300     1.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.94824E-03 ppm1      1.183 ppm2      7.739 CV     1
 ASSI {   54}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      4.400     2.400     1.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.67078E-03 ppm1      1.184 ppm2      7.610 CV     1
 ASSI {   55}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      4.300     2.300     1.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.64437E-03 ppm1      1.183 ppm2      9.156 CV     1
 ASSI {   56}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
      2.800     1.000     1.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.30931E-02 ppm1      1.184 ppm2      0.372 CV     1
 ASSI {   57}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      2.800     1.000     1.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.23102E-02 ppm1      1.183 ppm2      0.238 CV     1
 ASSI {   58}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 73   and name HG1 ))
      4.800     2.900     1.200 peak    58 spectrum    1 weight  0.10000E+01 volume  0.43285E-03 ppm1      1.184 ppm2      2.627 CV     1
 ASSI {   60}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD2%)
      4.100     2.100     1.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.94588E-03 ppm1      1.134 ppm2      0.371 CV     1
 ASSI {   61}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD1%)
      3.800     1.800     1.800 peak    61 spectrum    1 weight  0.10000E+01 volume  0.10645E-02 ppm1      1.136 ppm2      0.237 CV     1
 ASSI {   67}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HG1 ))
      2.900     1.100     1.100 peak    67 spectrum    1 weight  0.10000E+01 volume  0.34786E-02 ppm1      1.127 ppm2      1.420 CV     1
 ASSI {   70}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HB2 ))
      2.500     0.800     0.800 peak    70 spectrum    1 weight  0.10000E+01 volume  0.45214E-02 ppm1      1.133 ppm2      1.701 CV     1
 ASSI {   75}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
      2.100     0.600     0.600 peak    75 spectrum    1 weight  0.10000E+01 volume  0.12505E-01 ppm1      1.127 ppm2      2.281 CV     1
 ASSI {   76}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.500     0.500 peak    76 spectrum    1 weight  0.10000E+01 volume  0.10691E-01 ppm1      1.134 ppm2      2.395 CV     1
 ASSI {   79}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.61446E-03 ppm1      1.124 ppm2      3.541 CV     1
 ASSI {   82}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.300     0.700     0.700 peak    82 spectrum    1 weight  0.10000E+01 volume  0.89778E-02 ppm1      1.126 ppm2      3.945 CV     1
 ASSI {   83}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HA  ))
      2.300     0.700     0.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.51934E-02 ppm1      1.133 ppm2      4.301 CV     1
 ASSI {   84}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HA  ))
      2.300     0.600     0.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.75330E-02 ppm1      1.134 ppm2      4.452 CV     1
 ASSI {   86}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HN  ))
      2.500     0.800     0.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.47002E-02 ppm1      1.134 ppm2      7.474 CV     1
 ASSI {   88}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HD% )
      4.600     2.700     1.400 peak    88 spectrum    1 weight  0.10000E+01 volume  0.70557E-03 ppm1      1.134 ppm2      7.145 CV     1
 ASSI {   89}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HE% )
      4.000     2.000     2.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.18476E-02 ppm1      1.134 ppm2      6.943 CV     1
 ASSI {   90}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HN  ))
      3.400     1.400     1.400 peak    90 spectrum    1 weight  0.10000E+01 volume  0.18608E-02 ppm1      1.133 ppm2      7.740 CV     1
 ASSI {   91}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HN  ))
      4.700     2.700     1.300 peak    91 spectrum    1 weight  0.10000E+01 volume  0.27086E-03 ppm1      1.131 ppm2      7.608 CV     1
 ASSI {   93}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 28   and name HN  ))
      3.200     1.300     1.300 peak    93 spectrum    1 weight  0.10000E+01 volume  0.17462E-02 ppm1      1.133 ppm2      8.572 CV     1
 ASSI {   94}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.200     0.600     0.600 peak    94 spectrum    1 weight  0.10000E+01 volume  0.74648E-02 ppm1      1.125 ppm2      8.473 CV     1
 ASSI {   95}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      3.700     1.700     1.700 peak    95 spectrum    1 weight  0.10000E+01 volume  0.19155E-02 ppm1      1.134 ppm2      9.153 CV     1
 ASSI {   96}
   (( segid "    " and resid 73   and name HG1 ))
   (  segid "    " and resid 68   and name HG1%)
      3.100     1.200     1.200 peak    96 spectrum    1 weight  0.10000E+01 volume  0.90808E-03 ppm1      2.636 ppm2      1.123 CV     1
 ASSI {   97}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.900     1.100     1.100 peak    97 spectrum    1 weight  0.10000E+01 volume  0.32985E-02 ppm1      2.632 ppm2      2.150 CV     1
 ASSI {  104}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HB1 ))
      1.700     0.400     0.500 peak   104 spectrum    1 weight  0.10000E+01 volume  0.67953E-02 ppm1      1.698 ppm2      2.438 CV     1
 ASSI {  105}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.400     0.700     0.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.30377E-02 ppm1      1.698 ppm2      4.298 CV     1
 ASSI {  106}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.800     0.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.23048E-02 ppm1      1.697 ppm2      7.737 CV     1
 ASSI {  107}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.16172E-02 ppm1      1.698 ppm2      8.742 CV     1
 ASSI {  113}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
      2.400     0.700     0.700 peak   113 spectrum    1 weight  0.10000E+01 volume  0.62037E-02 ppm1      1.035 ppm2      3.881 CV     1
 ASSI {  114}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HA  ))
      2.600     0.800     0.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.39279E-02 ppm1      0.988 ppm2      3.883 CV     1
 ASSI {  115}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HB  ))
      2.300     0.600     0.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.66139E-02 ppm1      0.988 ppm2      2.225 CV     1
 ASSI {  116}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.100     0.600     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.84317E-02 ppm1      0.980 ppm2      2.136 CV     1
 ASSI {  117}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HG1 ))
      2.700     0.900     0.900 peak   117 spectrum    1 weight  0.10000E+01 volume  0.31560E-02 ppm1      1.035 ppm2      2.119 CV     1
 OR {  117}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HG2 ))
 ASSI {  118}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.100     0.600     0.600 peak   118 spectrum    1 weight  0.10000E+01 volume  0.92671E-02 ppm1      1.036 ppm2      2.228 CV     1
 ASSI {  121}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      3.200     1.300     1.300 peak   121 spectrum    1 weight  0.10000E+01 volume  0.16591E-02 ppm1      1.036 ppm2      3.582 CV     1
 ASSI {  123}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG1 ))
      2.200     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.72646E-02 ppm1      3.584 ppm2      2.137 CV     1
 OR {  123}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI {  126}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HD1 ))
      1.500     0.300     0.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.22595E-01 ppm1      3.584 ppm2      4.025 CV     1
 ASSI {  127}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.400     0.700     0.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.77644E-02 ppm1      3.585 ppm2      4.635 CV     1
 ASSI {  128}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HA  ))
      3.800     1.800     1.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.86164E-03 ppm1      3.583 ppm2      4.531 CV     1
 ASSI {  133}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HN  ))
      3.200     1.300     1.300 peak   133 spectrum    1 weight  0.10000E+01 volume  0.22227E-02 ppm1      0.988 ppm2      8.234 CV     1
 ASSI {  139}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
      2.000     0.500     0.500 peak   139 spectrum    1 weight  0.10000E+01 volume  0.12252E-01 ppm1      0.868 ppm2      2.058 CV     1
 ASSI {  141}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.700     1.700     1.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.23904E-02 ppm1      0.870 ppm2      4.319 CV     1
 ASSI {  142}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      2.100     0.500     0.500 peak   142 spectrum    1 weight  0.10000E+01 volume  0.99635E-02 ppm1      1.037 ppm2      4.321 CV     1
 ASSI {  143}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.100     1.100 peak   143 spectrum    1 weight  0.10000E+01 volume  0.12161E-02 ppm1      0.871 ppm2      4.227 CV     1
 ASSI {  145}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
      3.200     1.300     1.300 peak   145 spectrum    1 weight  0.10000E+01 volume  0.14445E-02 ppm1      2.056 ppm2      4.316 CV     1
 ASSI {  146}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      3.700     1.700     1.700 peak   146 spectrum    1 weight  0.10000E+01 volume  0.57801E-03 ppm1      2.054 ppm2      3.960 CV     1
 ASSI {  149}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 13   and name HB% )
      2.900     1.000     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.13697E-02 ppm1      2.062 ppm2      1.675 CV     1
 ASSI {  154}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 52   and name HD2%)
      2.400     0.700     0.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.45895E-02 ppm1      2.058 ppm2      1.036 CV     1
 ASSI {  158}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 52   and name HD2%)
      2.600     0.800     0.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.32436E-02 ppm1      2.228 ppm2      1.034 CV     1
 ASSI {  159}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HB2 ))
      1.600     0.300     0.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.10209E-01 ppm1      2.228 ppm2      1.451 CV     1
 ASSI {  161}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HG  ))
      3.100     1.200     1.200 peak   161 spectrum    1 weight  0.10000E+01 volume  0.18846E-02 ppm1      2.226 ppm2      2.049 CV     1
 ASSI {  162}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
      4.000     2.000     2.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.15829E-02 ppm1      2.228 ppm2      3.957 CV     1
 ASSI {  163}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.19259E-02 ppm1      2.229 ppm2      4.318 CV     1
 ASSI {  165}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.400     1.400 peak   165 spectrum    1 weight  0.10000E+01 volume  0.26447E-02 ppm1      2.228 ppm2      8.448 CV     1
 ASSI {  166}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.500     1.500 peak   166 spectrum    1 weight  0.10000E+01 volume  0.15732E-02 ppm1      2.226 ppm2      8.914 CV     1
 ASSI {  168}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 2    and name HB% )
      3.100     3.100     2.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.57532E-02 ppm1      1.489 ppm2      1.655 CV     1
 ASSI {  169}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HB1 ))
      1.700     0.400     0.500 peak   169 spectrum    1 weight  0.10000E+01 volume  0.13710E-01 ppm1      1.488 ppm2      1.613 CV     1
 ASSI {  173}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HG  ))
      2.500     0.800     0.800 peak   173 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      1.452 ppm2      2.053 CV     1
 ASSI {  177}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.000     1.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.34044E-02 ppm1      1.430 ppm2      4.327 CV     1
 ASSI {  180}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.100     1.200     1.200 peak   180 spectrum    1 weight  0.10000E+01 volume  0.37730E-02 ppm1      1.038 ppm2      7.441 CV     1
 ASSI {  181}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      4.100     2.100     1.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.99753E-03 ppm1      1.454 ppm2      7.441 CV     1
 ASSI {  183}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   183 spectrum    1 weight  0.10000E+01 volume  0.24421E-02 ppm1      1.448 ppm2      8.450 CV     1
 ASSI {  194}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      2.500     0.800     0.800 peak   194 spectrum    1 weight  0.10000E+01 volume  0.37527E-02 ppm1      0.807 ppm2      1.944 CV     1
 ASSI {  197}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak   197 spectrum    1 weight  0.10000E+01 volume  0.51212E-02 ppm1      1.028 ppm2      4.635 CV     1
 ASSI {  198}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
      3.200     1.300     1.300 peak   198 spectrum    1 weight  0.10000E+01 volume  0.35410E-02 ppm1      1.028 ppm2      4.026 CV     1
 ASSI {  200}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      2.300     0.700     0.700 peak   200 spectrum    1 weight  0.10000E+01 volume  0.43171E-02 ppm1      1.027 ppm2      3.580 CV     1
 ASSI {  201}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.700     0.900     0.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.28354E-02 ppm1      1.027 ppm2      2.224 CV     1
 ASSI {  209}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 65   and name HB% )
      2.900     1.000     1.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.22607E-02 ppm1      1.028 ppm2      1.409 CV     1
 ASSI {  216}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      3.000     1.200     1.200 peak   216 spectrum    1 weight  0.10000E+01 volume  0.16150E-02 ppm1      1.029 ppm2      8.238 CV     1
 ASSI {  218}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      4.600     2.600     1.400 peak   218 spectrum    1 weight  0.10000E+01 volume  0.48467E-03 ppm1      1.028 ppm2      3.765 CV     1
 ASSI {  221}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.13027E-02 ppm1      1.132 ppm2      4.640 CV     1
 ASSI {  222}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      3.900     1.900     1.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.16439E-02 ppm1      0.856 ppm2      4.634 CV     1
 ASSI {  223}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HG11))
      1.600     0.300     0.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.15773E-01 ppm1      1.133 ppm2      1.511 CV     1
 ASSI {  225}
   (( segid "    " and resid 60   and name HG12))
   (  segid "    " and resid 60   and name HG2%)
      2.900     1.100     1.100 peak   225 spectrum    1 weight  0.10000E+01 volume  0.16510E-02 ppm1      1.131 ppm2      1.021 CV     1
 ASSI {  231}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.700     1.700     1.700 peak   231 spectrum    1 weight  0.10000E+01 volume  0.18469E-02 ppm1      0.857 ppm2      3.754 CV     1
 ASSI {  232}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 61   and name HD2 ))
      5.200     3.400     0.800 peak   232 spectrum    1 weight  0.10000E+01 volume  0.50406E-03 ppm1      0.860 ppm2      3.577 CV     1
 ASSI {  233}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      3.300     1.400     1.400 peak   233 spectrum    1 weight  0.10000E+01 volume  0.15630E-02 ppm1      0.857 ppm2      3.954 CV     1
 ASSI {  235}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      2.900     1.000     1.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.11370E-02 ppm1      0.859 ppm2      2.756 CV     1
 ASSI {  236}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.000     1.200     1.200 peak   236 spectrum    1 weight  0.10000E+01 volume  0.13564E-02 ppm1      0.858 ppm2      2.330 CV     1
 ASSI {  242}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 81   and name HB% )
      3.200     1.300     1.300 peak   242 spectrum    1 weight  0.10000E+01 volume  0.30380E-02 ppm1      0.856 ppm2      1.642 CV     1
 ASSI {  247}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG12))
      2.000     0.500     0.500 peak   247 spectrum    1 weight  0.10000E+01 volume  0.13139E-01 ppm1      0.858 ppm2      1.127 CV     1
 ASSI {  256}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 48   and name HG2%)
      2.300     0.700     0.700 peak   256 spectrum    1 weight  0.10000E+01 volume  0.55761E-02 ppm1      4.429 ppm2      1.125 CV     1
 ASSI {  262}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.500     0.800     0.800 peak   262 spectrum    1 weight  0.10000E+01 volume  0.56480E-02 ppm1      3.964 ppm2      1.129 CV     1
 ASSI {  264}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.000     1.100     1.100 peak   264 spectrum    1 weight  0.10000E+01 volume  0.17764E-02 ppm1      3.964 ppm2      2.208 CV     1
 ASSI {  265}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.000     1.100     1.100 peak   265 spectrum    1 weight  0.10000E+01 volume  0.17269E-02 ppm1      3.965 ppm2      2.022 CV     1
 ASSI {  268}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.700     1.800     1.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.73574E-03 ppm1      3.963 ppm2      8.730 CV     1
 ASSI {  271}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.400     1.400 peak   271 spectrum    1 weight  0.10000E+01 volume  0.10695E-02 ppm1      3.967 ppm2      8.157 CV     1
 ASSI {  273}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.800     1.000     1.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.22003E-02 ppm1      1.739 ppm2      2.205 CV     1
 ASSI {  276}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HD2 ))
      3.400     1.400     1.400 peak   276 spectrum    1 weight  0.10000E+01 volume  0.10962E-02 ppm1      1.738 ppm2      3.303 CV     1
 ASSI {  277}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak   277 spectrum    1 weight  0.10000E+01 volume  0.23917E-02 ppm1      1.742 ppm2      4.248 CV     1
 ASSI {  278}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      4.500     2.500     1.500 peak   278 spectrum    1 weight  0.10000E+01 volume  0.65333E-03 ppm1      1.741 ppm2      8.156 CV     1
 ASSI {  279}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      3.900     1.900     1.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.16046E-02 ppm1      1.991 ppm2      8.151 CV     1
 ASSI {  280}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.300     1.300     1.300 peak   280 spectrum    1 weight  0.10000E+01 volume  0.16548E-02 ppm1      1.992 ppm2      4.249 CV     1
 ASSI {  281}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HD2 ))
      3.000     1.100     1.100 peak   281 spectrum    1 weight  0.10000E+01 volume  0.12904E-02 ppm1      1.991 ppm2      3.307 CV     1
 ASSI {  282}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HD1 ))
      3.500     1.500     1.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.90953E-03 ppm1      1.991 ppm2      3.446 CV     1
 ASSI {  283}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HG2 ))
      1.800     0.400     0.400 peak   283 spectrum    1 weight  0.10000E+01 volume  0.98947E-02 ppm1      1.991 ppm2      1.741 CV     1
 ASSI {  284}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.300     0.700     0.700 peak   284 spectrum    1 weight  0.10000E+01 volume  0.71073E-02 ppm1      2.040 ppm2      1.712 CV     1
 OR {  284}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  288}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak   288 spectrum    1 weight  0.10000E+01 volume  0.18420E-02 ppm1      2.206 ppm2      4.246 CV     1
 ASSI {  291}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak   291 spectrum    1 weight  0.10000E+01 volume  0.23048E-02 ppm1      2.039 ppm2      8.152 CV     1
 ASSI {  301}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 13   and name HB% )
      2.300     0.700     0.700 peak   301 spectrum    1 weight  0.10000E+01 volume  0.71883E-02 ppm1      1.130 ppm2      1.675 CV     1
 ASSI {  309}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
      2.300     0.700     0.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.68683E-02 ppm1      1.129 ppm2      0.768 CV     1
 ASSI {  312}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
      4.100     2.100     1.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.50078E-03 ppm1      1.131 ppm2      0.368 CV     1
 ASSI {  313}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      4.800     2.900     1.200 peak   313 spectrum    1 weight  0.10000E+01 volume  0.30414E-03 ppm1      1.132 ppm2      0.246 CV     1
 ASSI {  317}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      3.100     1.200     1.200 peak   317 spectrum    1 weight  0.10000E+01 volume  0.58445E-03 ppm1      1.130 ppm2      6.765 CV     1
 ASSI {  319}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      4.000     2.000     2.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.13516E-02 ppm1      1.128 ppm2      8.350 CV     1
 ASSI {  320}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      3.400     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.18154E-02 ppm1      1.131 ppm2      8.731 CV     1
 ASSI {  322}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
      4.200     2.200     1.800 peak   322 spectrum    1 weight  0.10000E+01 volume  0.80511E-03 ppm1      4.452 ppm2      5.269 CV     1
 ASSI {  323}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HA  ))
      2.400     0.700     0.700 peak   323 spectrum    1 weight  0.10000E+01 volume  0.44805E-02 ppm1      2.391 ppm2      4.451 CV     1
 ASSI {  324}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      5.000     3.100     1.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.74530E-03 ppm1      4.452 ppm2      3.007 CV     1
 ASSI {  325}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 73   and name HG1 ))
      4.300     2.300     1.700 peak   325 spectrum    1 weight  0.10000E+01 volume  0.42094E-03 ppm1      2.396 ppm2      2.630 CV     1
 ASSI {  332}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.300     1.300     1.300 peak   332 spectrum    1 weight  0.10000E+01 volume  0.51300E-03 ppm1      2.386 ppm2      1.702 CV     1
 ASSI {  334}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG2%)
      2.100     0.500     0.500 peak   334 spectrum    1 weight  0.10000E+01 volume  0.10301E-01 ppm1      2.391 ppm2      1.155 CV     1
 OR {  334}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  337}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 45   and name HD1%)
      4.800     2.800     1.200 peak   337 spectrum    1 weight  0.10000E+01 volume  0.30526E-03 ppm1      2.400 ppm2      0.234 CV     1
 ASSI {  339}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 35   and name HE% )
      3.500     1.600     1.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.45386E-03 ppm1      2.392 ppm2      6.946 CV     1
 ASSI {  344}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      3.800     1.800     1.800 peak   344 spectrum    1 weight  0.10000E+01 volume  0.46840E-03 ppm1      2.391 ppm2      7.738 CV     1
 ASSI {  345}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 69   and name HN  ))
      2.900     1.100     1.100 peak   345 spectrum    1 weight  0.10000E+01 volume  0.18358E-02 ppm1      2.392 ppm2      9.154 CV     1
 ASSI {  346}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.100     0.500     0.500 peak   346 spectrum    1 weight  0.10000E+01 volume  0.11295E-01 ppm1      4.453 ppm2      9.153 CV     1
 ASSI {  352}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   352 spectrum    1 weight  0.10000E+01 volume  0.10864E-01 ppm1      1.546 ppm2      3.957 CV     1
 ASSI {  356}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 45   and name HD2%)
      3.900     1.900     1.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.54343E-03 ppm1      1.547 ppm2      0.374 CV     1
 ASSI {  357}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.500     2.500     1.500 peak   357 spectrum    1 weight  0.10000E+01 volume  0.23142E-03 ppm1      1.548 ppm2      0.239 CV     1
 ASSI {  358}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
      2.500     0.800     0.800 peak   358 spectrum    1 weight  0.10000E+01 volume  0.33834E-02 ppm1      1.546 ppm2      0.857 CV     1
 ASSI {  374}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
      3.300     1.400     1.400 peak   374 spectrum    1 weight  0.10000E+01 volume  0.86148E-03 ppm1      1.547 ppm2      2.752 CV     1
 ASSI {  376}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HB  ))
      4.600     2.600     1.400 peak   376 spectrum    1 weight  0.10000E+01 volume  0.57543E-03 ppm1      1.547 ppm2      4.435 CV     1
 ASSI {  379}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      2.200     0.600     0.600 peak   379 spectrum    1 weight  0.10000E+01 volume  0.90379E-02 ppm1      1.545 ppm2      8.731 CV     1
 ASSI {  384}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak   384 spectrum    1 weight  0.10000E+01 volume  0.53443E-02 ppm1      1.546 ppm2      8.223 CV     1
 ASSI {  386}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HN  ))
      4.600     2.600     1.400 peak   386 spectrum    1 weight  0.10000E+01 volume  0.42069E-03 ppm1      1.545 ppm2      8.922 CV     1
 ASSI {  390}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.35484E-02 ppm1      3.951 ppm2      8.472 CV     1
 ASSI {  396}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.900     1.000     1.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.15141E-02 ppm1      3.960 ppm2      1.443 CV     1
 ASSI {  397}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      3.300     1.300     1.300 peak   397 spectrum    1 weight  0.10000E+01 volume  0.11126E-02 ppm1      3.957 ppm2      1.103 CV     1
 ASSI {  402}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.600     1.600     1.600 peak   402 spectrum    1 weight  0.10000E+01 volume  0.10235E-02 ppm1      3.960 ppm2      8.217 CV     1
 ASSI {  403}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   403 spectrum    1 weight  0.10000E+01 volume  0.32313E-02 ppm1      3.960 ppm2      8.728 CV     1
 ASSI {  404}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.200     1.200 peak   404 spectrum    1 weight  0.10000E+01 volume  0.15674E-02 ppm1      3.960 ppm2      8.456 CV     1
 ASSI {  405}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.800     1.800     1.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.54832E-03 ppm1      3.964 ppm2      8.928 CV     1
 ASSI {  418}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak   418 spectrum    1 weight  0.10000E+01 volume  0.40609E-02 ppm1      1.676 ppm2      4.217 CV     1
 ASSI {  420}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 56   and name HE% )
      5.000     3.100     1.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.76414E-03 ppm1      1.676 ppm2      6.822 CV     1
 ASSI {  421}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      3.100     1.200     1.200 peak   421 spectrum    1 weight  0.10000E+01 volume  0.17463E-02 ppm1      1.541 ppm2      6.763 CV     1
 ASSI {  422}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.35301E-02 ppm1      1.541 ppm2      6.988 CV     1
 ASSI {  423}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      4.600     2.700     1.400 peak   423 spectrum    1 weight  0.10000E+01 volume  0.72205E-03 ppm1      1.064 ppm2      6.990 CV     1
 ASSI {  424}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      4.600     2.600     1.400 peak   424 spectrum    1 weight  0.10000E+01 volume  0.52997E-03 ppm1      1.064 ppm2      6.767 CV     1
 ASSI {  425}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      2.800     1.000     1.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.10096E-02 ppm1      3.922 ppm2      6.987 CV     1
 ASSI {  426}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      3.400     1.400     1.400 peak   426 spectrum    1 weight  0.10000E+01 volume  0.12456E-02 ppm1      3.921 ppm2      6.759 CV     1
 ASSI {  429}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HN  ))
      2.100     0.600     0.600 peak   429 spectrum    1 weight  0.10000E+01 volume  0.10294E-01 ppm1      1.675 ppm2      7.718 CV     1
 ASSI {  438}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      2.600     0.900     0.900 peak   438 spectrum    1 weight  0.10000E+01 volume  0.45003E-02 ppm1      1.643 ppm2      0.794 CV     1
 ASSI {  454}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB2 ))
      2.700     0.900     0.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.20563E-02 ppm1      0.933 ppm2      2.798 CV     1
 ASSI {  466}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HG2 ))
      1.700     0.300     0.500 peak   466 spectrum    1 weight  0.10000E+01 volume  0.22993E-01 ppm1      2.631 ppm2      2.397 CV     1
 ASSI {  471}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HG1 ))
      2.600     0.800     0.800 peak   471 spectrum    1 weight  0.10000E+01 volume  0.36487E-02 ppm1      2.472 ppm2      2.628 CV     1
 ASSI {  473}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.400     1.400     1.400 peak   473 spectrum    1 weight  0.10000E+01 volume  0.18115E-02 ppm1      2.474 ppm2      4.248 CV     1
 ASSI {  476}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HB2 ))
      1.900     0.400     0.400 peak   476 spectrum    1 weight  0.10000E+01 volume  0.70917E-02 ppm1      2.465 ppm2      2.288 CV     1
 ASSI {  489}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.000     0.500     0.500 peak   489 spectrum    1 weight  0.10000E+01 volume  0.56067E-02 ppm1      3.322 ppm2      2.030 CV     1
 ASSI {  498}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   498 spectrum    1 weight  0.10000E+01 volume  0.39252E-02 ppm1      2.349 ppm2      8.498 CV     1
 ASSI {  500}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HN  ))
      2.200     0.600     0.600 peak   500 spectrum    1 weight  0.10000E+01 volume  0.33550E-02 ppm1      1.749 ppm2      8.296 CV     1
 ASSI {  509}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      5.100     3.300     0.900 peak   509 spectrum    1 weight  0.10000E+01 volume  0.15132E-03 ppm1      0.802 ppm2      8.295 CV     1
 ASSI {  511}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      4.700     2.800     1.300 peak   511 spectrum    1 weight  0.10000E+01 volume  0.66514E-03 ppm1      1.018 ppm2      7.830 CV     1
 ASSI {  512}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HN  ))
      4.500     2.500     1.500 peak   512 spectrum    1 weight  0.10000E+01 volume  0.85209E-03 ppm1      1.072 ppm2      7.830 CV     1
 ASSI {  516}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 45   and name HD2%)
      4.800     2.900     1.200 peak   516 spectrum    1 weight  0.10000E+01 volume  0.42215E-03 ppm1      2.393 ppm2      0.368 CV     1
 ASSI {  524}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.200     0.600     0.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.53812E-02 ppm1      4.241 ppm2      2.261 CV     1
 ASSI {  528}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
      3.600     1.700     1.700 peak   528 spectrum    1 weight  0.10000E+01 volume  0.17396E-02 ppm1      4.240 ppm2      0.994 CV     1
 ASSI {  530}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.600     1.600     1.600 peak   530 spectrum    1 weight  0.10000E+01 volume  0.19543E-02 ppm1      4.239 ppm2      1.351 CV     1
 ASSI {  534}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.900     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.27749E-02 ppm1      4.239 ppm2      2.029 CV     1
 ASSI {  536}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.100     1.200     1.200 peak   536 spectrum    1 weight  0.10000E+01 volume  0.23105E-02 ppm1      4.241 ppm2      1.693 CV     1
 ASSI {  539}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.500     0.800     0.800 peak   539 spectrum    1 weight  0.10000E+01 volume  0.29983E-02 ppm1      4.240 ppm2      2.437 CV     1
 ASSI {  541}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
      3.900     1.900     1.900 peak   541 spectrum    1 weight  0.10000E+01 volume  0.66455E-03 ppm1      4.243 ppm2      2.838 CV     1
 ASSI {  543}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      5.100     3.300     0.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.57242E-03 ppm1      4.239 ppm2      3.333 CV     1
 ASSI {  544}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 35   and name HZ  ))
      2.300     0.600     0.600 peak   544 spectrum    1 weight  0.10000E+01 volume  0.57548E-02 ppm1      4.239 ppm2      6.898 CV     1
 ASSI {  549}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.100     1.200     1.200 peak   549 spectrum    1 weight  0.10000E+01 volume  0.16604E-02 ppm1      4.235 ppm2      7.740 CV     1
 ASSI {  553}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HG2 ))
      3.000     1.100     1.100 peak   553 spectrum    1 weight  0.10000E+01 volume  0.16981E-02 ppm1      2.262 ppm2      1.352 CV     1
 ASSI {  554}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.700     0.900     0.900 peak   554 spectrum    1 weight  0.10000E+01 volume  0.14601E-02 ppm1      2.033 ppm2      1.355 CV     1
 ASSI {  556}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 64   and name HG2%)
      2.500     0.800     0.800 peak   556 spectrum    1 weight  0.10000E+01 volume  0.19395E-02 ppm1      2.080 ppm2      1.028 CV     1
 ASSI {  562}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG2%)
      2.000     0.500     0.500 peak   562 spectrum    1 weight  0.10000E+01 volume  0.13528E-01 ppm1      2.230 ppm2      1.016 CV     1
 OR {  562}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  572}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      1.900     0.400     0.400 peak   572 spectrum    1 weight  0.10000E+01 volume  0.46761E-02 ppm1      2.033 ppm2      2.258 CV     1
 ASSI {  580}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.800     0.800 peak   580 spectrum    1 weight  0.10000E+01 volume  0.37692E-02 ppm1      2.284 ppm2      4.043 CV     1
 ASSI {  583}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      4.700     2.800     1.300 peak   583 spectrum    1 weight  0.10000E+01 volume  0.48912E-03 ppm1      2.266 ppm2      6.913 CV     1
 ASSI {  585}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      3.200     1.300     1.300 peak   585 spectrum    1 weight  0.10000E+01 volume  0.10805E-02 ppm1      2.267 ppm2      7.325 CV     1
 ASSI {  586}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      3.700     1.700     1.700 peak   586 spectrum    1 weight  0.10000E+01 volume  0.74831E-03 ppm1      2.027 ppm2      7.322 CV     1
 ASSI {  589}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.300     2.300     1.700 peak   589 spectrum    1 weight  0.10000E+01 volume  0.77741E-03 ppm1      2.266 ppm2      9.009 CV     1
 ASSI {  591}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HG2 ))
      1.800     0.400     0.400 peak   591 spectrum    1 weight  0.10000E+01 volume  0.67266E-02 ppm1      2.201 ppm2      1.350 CV     1
 ASSI {  592}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 31   and name HD1%)
      6.000     4.600     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.27051E-03 ppm1      2.191 ppm2      0.468 CV     1
 ASSI {  606}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.400     1.400     1.400 peak   606 spectrum    1 weight  0.10000E+01 volume  0.71497E-03 ppm1      2.201 ppm2      4.238 CV     1
 ASSI {  607}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HD1 ))
      2.800     0.900     0.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.11731E-02 ppm1      2.208 ppm2      4.045 CV     1
 ASSI {  611}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 35   and name HE% )
      3.500     1.500     1.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.56442E-03 ppm1      2.202 ppm2      6.938 CV     1
 OR {  611}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  612}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 35   and name HZ  ))
      4.300     2.300     1.700 peak   612 spectrum    1 weight  0.10000E+01 volume  0.39713E-03 ppm1      2.202 ppm2      6.903 CV     1
 ASSI {  613}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HD% )
      3.100     1.200     1.200 peak   613 spectrum    1 weight  0.10000E+01 volume  0.22042E-02 ppm1      2.204 ppm2      7.319 CV     1
 ASSI {  617}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HD% )
      2.800     1.000     1.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.11538E-02 ppm1      1.357 ppm2      7.323 CV     1
 ASSI {  619}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 35   and name HE% )
      4.200     2.200     1.800 peak   619 spectrum    1 weight  0.10000E+01 volume  0.10703E-02 ppm1      1.356 ppm2      6.940 CV     1
 ASSI {  622}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HA  ))
      3.200     1.200     1.200 peak   622 spectrum    1 weight  0.10000E+01 volume  0.26844E-02 ppm1      1.373 ppm2      4.103 CV     1
 ASSI {  623}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD1 ))
      3.100     1.200     1.200 peak   623 spectrum    1 weight  0.10000E+01 volume  0.15258E-02 ppm1      1.362 ppm2      4.067 CV     1
 ASSI {  626}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD2 ))
      2.600     0.800     0.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.16584E-02 ppm1      1.362 ppm2      2.845 CV     1
 ASSI {  637}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HD2 ))
      1.800     0.400     0.400 peak   637 spectrum    1 weight  0.10000E+01 volume  0.80801E-02 ppm1      4.049 ppm2      2.843 CV     1
 ASSI {  639}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.900     3.000     1.100 peak   639 spectrum    1 weight  0.10000E+01 volume  0.54171E-03 ppm1      4.047 ppm2      3.320 CV     1
 ASSI {  642}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HA  ))
      1.800     0.400     0.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.11556E-01 ppm1      4.026 ppm2      4.635 CV     1
 ASSI {  643}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 70   and name HA  ))
      2.300     0.600     0.600 peak   643 spectrum    1 weight  0.10000E+01 volume  0.32954E-02 ppm1      4.048 ppm2      4.941 CV     1
 ASSI {  644}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 30   and name HD% )
      3.300     3.300     2.700 peak   644 spectrum    1 weight  0.10000E+01 volume  0.44191E-03 ppm1      4.052 ppm2      7.326 CV     1
 ASSI {  645}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.600     1.600     1.600 peak   645 spectrum    1 weight  0.10000E+01 volume  0.88076E-03 ppm1      4.049 ppm2      7.223 CV     1
 ASSI {  648}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG2 ))
      2.200     0.600     0.600 peak   648 spectrum    1 weight  0.10000E+01 volume  0.79910E-02 ppm1      4.027 ppm2      2.134 CV     1
 OR {  648}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG1 ))
 ASSI {  652}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 60   and name HD1%)
      5.700     4.100     0.300 peak   652 spectrum    1 weight  0.10000E+01 volume  0.45467E-03 ppm1      4.030 ppm2      0.856 CV     1
 ASSI {  654}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 70   and name HG2%)
      4.100     2.100     1.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.90363E-03 ppm1      2.848 ppm2      1.074 CV     1
 ASSI {  656}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.600     1.600     1.600 peak   656 spectrum    1 weight  0.10000E+01 volume  0.46240E-03 ppm1      2.842 ppm2      2.042 CV     1
 ASSI {  657}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HG1 ))
      3.300     1.400     1.400 peak   657 spectrum    1 weight  0.10000E+01 volume  0.18119E-02 ppm1      2.848 ppm2      2.206 CV     1
 ASSI {  659}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak   659 spectrum    1 weight  0.10000E+01 volume  0.55277E-03 ppm1      2.850 ppm2      3.307 CV     1
 ASSI {  662}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HB  ))
      2.600     0.800     0.800 peak   662 spectrum    1 weight  0.10000E+01 volume  0.19102E-02 ppm1      2.848 ppm2      4.623 CV     1
 ASSI {  663}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.700     0.900     0.900 peak   663 spectrum    1 weight  0.10000E+01 volume  0.43031E-02 ppm1      2.849 ppm2      4.940 CV     1
 ASSI {  664}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 32   and name HA  ))
      4.200     2.300     1.800 peak   664 spectrum    1 weight  0.10000E+01 volume  0.22233E-03 ppm1      2.840 ppm2      5.060 CV     1
 ASSI {  667}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 35   and name HD% )
      3.700     1.700     1.700 peak   667 spectrum    1 weight  0.10000E+01 volume  0.21254E-03 ppm1      2.852 ppm2      7.138 CV     1
 ASSI {  668}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 35   and name HE% )
      4.700     2.800     1.300 peak   668 spectrum    1 weight  0.10000E+01 volume  0.42653E-03 ppm1      2.846 ppm2      6.938 CV     1
 OR {  668}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  672}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.300     1.400     1.400 peak   672 spectrum    1 weight  0.10000E+01 volume  0.57296E-03 ppm1      2.850 ppm2      9.008 CV     1
 ASSI {  673}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 32   and name HA  ))
      4.800     2.900     1.200 peak   673 spectrum    1 weight  0.10000E+01 volume  0.41514E-03 ppm1      4.041 ppm2      5.057 CV     1
 ASSI {  676}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 70   and name HG2%)
      3.800     1.800     1.800 peak   676 spectrum    1 weight  0.10000E+01 volume  0.19585E-02 ppm1      4.047 ppm2      1.067 CV     1
 ASSI {  679}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 30   and name HE% )
      2.000     0.500     0.500 peak   679 spectrum    1 weight  0.10000E+01 volume  0.10118E-01 ppm1      7.322 ppm2      7.214 CV     1
 ASSI {  686}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 29   and name HA  ))
      4.000     2.000     2.000 peak   686 spectrum    1 weight  0.10000E+01 volume  0.71089E-03 ppm1      7.321 ppm2      4.850 CV     1
 ASSI {  687}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HA  ))
      4.300     2.400     1.700 peak   687 spectrum    1 weight  0.10000E+01 volume  0.56126E-03 ppm1      7.322 ppm2      4.749 CV     1
 ASSI {  703}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 30   and name HD% )
      1.800     0.400     0.400 peak   703 spectrum    1 weight  0.10000E+01 volume  0.19194E-01 ppm1      7.227 ppm2      7.330 CV     1
 OR {  703}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 30   and name HD% )
 OR {  703}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HZ  ))
 OR {  703}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  705}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD1%)
      3.400     1.400     1.400 peak   705 spectrum    1 weight  0.10000E+01 volume  0.11778E-02 ppm1      7.226 ppm2      0.468 CV     1
 ASSI {  706}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.300     1.400     1.400 peak   706 spectrum    1 weight  0.10000E+01 volume  0.84693E-03 ppm1      7.351 ppm2      2.051 CV     1
 OR {  706}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  711}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      4.100     2.100     1.900 peak   711 spectrum    1 weight  0.10000E+01 volume  0.33240E-03 ppm1      3.312 ppm2      1.248 CV     1
 ASSI {  712}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HB2 ))
      4.600     2.600     1.400 peak   712 spectrum    1 weight  0.10000E+01 volume  0.43689E-03 ppm1      3.028 ppm2      1.254 CV     1
 ASSI {  713}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HB1 ))
      5.500     3.800     0.500 peak   713 spectrum    1 weight  0.10000E+01 volume  0.54843E-03 ppm1      3.310 ppm2      1.792 CV     1
 OR {  713}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  714}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
      5.300     3.600     0.700 peak   714 spectrum    1 weight  0.10000E+01 volume  0.54896E-03 ppm1      3.030 ppm2      1.806 CV     1
 OR {  714}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  715}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
      1.700     0.400     0.500 peak   715 spectrum    1 weight  0.10000E+01 volume  0.11673E-01 ppm1      3.308 ppm2      3.029 CV     1
 ASSI {  719}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   719 spectrum    1 weight  0.10000E+01 volume  0.23756E-02 ppm1      3.309 ppm2      4.750 CV     1
 ASSI {  720}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.800     0.800 peak   720 spectrum    1 weight  0.10000E+01 volume  0.26873E-02 ppm1      3.031 ppm2      4.749 CV     1
 ASSI {  721}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      2.500     0.800     0.800 peak   721 spectrum    1 weight  0.10000E+01 volume  0.38982E-02 ppm1      3.309 ppm2      7.320 CV     1
 ASSI {  722}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      2.400     0.700     0.700 peak   722 spectrum    1 weight  0.10000E+01 volume  0.41832E-02 ppm1      3.032 ppm2      7.319 CV     1
 ASSI {  724}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      4.600     2.600     1.400 peak   724 spectrum    1 weight  0.10000E+01 volume  0.23762E-03 ppm1      3.310 ppm2      7.533 CV     1
 ASSI {  735}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB1 ))
      3.000     1.100     1.100 peak   735 spectrum    1 weight  0.10000E+01 volume  0.16079E-02 ppm1      7.226 ppm2      2.265 CV     1
 ASSI {  748}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
      1.700     0.400     0.500 peak   748 spectrum    1 weight  0.10000E+01 volume  0.10829E-01 ppm1      3.581 ppm2      3.109 CV     1
 ASSI {  754}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      4.600     2.600     1.400 peak   754 spectrum    1 weight  0.10000E+01 volume  0.30381E-03 ppm1      3.111 ppm2      5.269 CV     1
 ASSI {  756}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      2.600     0.800     0.800 peak   756 spectrum    1 weight  0.10000E+01 volume  0.34480E-02 ppm1      3.579 ppm2      7.145 CV     1
 ASSI {  758}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      4.100     2.100     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.35155E-03 ppm1      3.593 ppm2      6.983 CV     1
 ASSI {  760}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      2.400     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.41825E-02 ppm1      3.110 ppm2      7.145 CV     1
 ASSI {  762}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HE% )
      4.800     2.900     1.200 peak   762 spectrum    1 weight  0.10000E+01 volume  0.44307E-03 ppm1      3.108 ppm2      6.945 CV     1
 ASSI {  779}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 45   and name HD1%)
      4.400     2.400     1.600 peak   779 spectrum    1 weight  0.10000E+01 volume  0.38292E-03 ppm1      6.949 ppm2      0.248 CV     1
 ASSI {  782}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 45   and name HD2%)
      4.100     2.100     1.900 peak   782 spectrum    1 weight  0.10000E+01 volume  0.44296E-03 ppm1      6.987 ppm2      0.370 CV     1
 OR {  782}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 45   and name HD2%)
 ASSI {  787}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HB1 ))
      5.700     4.100     0.300 peak   787 spectrum    1 weight  0.10000E+01 volume  0.13828E-03 ppm1      6.942 ppm2      3.582 CV     1
 ASSI {  798}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.100     1.100 peak   798 spectrum    1 weight  0.10000E+01 volume  0.19065E-02 ppm1      6.991 ppm2      8.043 CV     1
 ASSI {  808}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak   808 spectrum    1 weight  0.10000E+01 volume  0.21157E-02 ppm1      6.990 ppm2      4.592 CV     1
 ASSI {  815}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HA  ))
      3.200     1.300     1.300 peak   815 spectrum    1 weight  0.10000E+01 volume  0.12927E-02 ppm1      6.949 ppm2      4.240 CV     1
 ASSI {  818}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HB1 ))
      2.400     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.32090E-02 ppm1      6.989 ppm2      3.005 CV     1
 ASSI {  819}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak   819 spectrum    1 weight  0.10000E+01 volume  0.35444E-02 ppm1      6.989 ppm2      2.812 CV     1
 ASSI {  825}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HB  ))
      3.600     1.600     1.600 peak   825 spectrum    1 weight  0.10000E+01 volume  0.52973E-03 ppm1      6.989 ppm2      2.447 CV     1
 ASSI {  827}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HB1 ))
      4.400     2.500     1.600 peak   827 spectrum    1 weight  0.10000E+01 volume  0.50439E-03 ppm1      6.948 ppm2      2.425 CV     1
 ASSI {  828}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG11))
      2.500     0.800     0.800 peak   828 spectrum    1 weight  0.10000E+01 volume  0.22983E-02 ppm1      6.990 ppm2      1.838 CV     1
 OR {  828}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG11))
 ASSI {  834}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HB2 ))
      4.200     2.200     1.800 peak   834 spectrum    1 weight  0.10000E+01 volume  0.46624E-03 ppm1      6.951 ppm2      1.696 CV     1
 ASSI {  840}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 68   and name HG2%)
      3.900     1.900     1.900 peak   840 spectrum    1 weight  0.10000E+01 volume  0.59417E-03 ppm1      7.145 ppm2      1.168 CV     1
 OR {  840}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  841}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG2%)
      2.900     1.100     1.100 peak   841 spectrum    1 weight  0.10000E+01 volume  0.15684E-02 ppm1      6.949 ppm2      1.164 CV     1
 OR {  841}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  842}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
      3.000     1.200     1.200 peak   842 spectrum    1 weight  0.10000E+01 volume  0.18708E-02 ppm1      6.990 ppm2      0.892 CV     1
 OR {  842}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI {  843}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
      3.700     1.700     1.700 peak   843 spectrum    1 weight  0.10000E+01 volume  0.97224E-03 ppm1      6.988 ppm2      0.770 CV     1
 OR {  843}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  849}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      2.500     0.800     0.800 peak   849 spectrum    1 weight  0.10000E+01 volume  0.59519E-02 ppm1      4.116 ppm2      8.057 CV     1
 OR {  849}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI {  850}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      3.100     1.200     1.200 peak   850 spectrum    1 weight  0.10000E+01 volume  0.21203E-02 ppm1      4.118 ppm2      8.148 CV     1
 OR {  850}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  859}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      4.000     2.000     2.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.64453E-03 ppm1      4.384 ppm2      7.558 CV     1
 ASSI {  863}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.300     0.700     0.700 peak   863 spectrum    1 weight  0.10000E+01 volume  0.61435E-02 ppm1      4.386 ppm2      7.142 CV     1
 ASSI {  868}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 40   and name HE% )
      1.800     0.400     0.400 peak   868 spectrum    1 weight  0.10000E+01 volume  0.22313E-01 ppm1      6.990 ppm2      6.760 CV     1
 ASSI {  873}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.300     0.700     0.700 peak   873 spectrum    1 weight  0.10000E+01 volume  0.26934E-02 ppm1      4.387 ppm2      3.587 CV     1
 ASSI {  875}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.900     1.100     1.100 peak   875 spectrum    1 weight  0.10000E+01 volume  0.24858E-02 ppm1      4.386 ppm2      3.105 CV     1
 ASSI {  878}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.600     1.600     1.600 peak   878 spectrum    1 weight  0.10000E+01 volume  0.41984E-03 ppm1      4.384 ppm2      2.821 CV     1
 ASSI {  881}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG11))
      2.900     1.000     1.000 peak   881 spectrum    1 weight  0.10000E+01 volume  0.23797E-02 ppm1      4.388 ppm2      1.843 CV     1
 ASSI {  885}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG12))
      1.900     0.500     0.500 peak   885 spectrum    1 weight  0.10000E+01 volume  0.47999E-02 ppm1      4.387 ppm2      1.543 CV     1
 ASSI {  886}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HG  ))
      3.800     1.800     1.800 peak   886 spectrum    1 weight  0.10000E+01 volume  0.12879E-02 ppm1      4.399 ppm2      1.720 CV     1
 ASSI {  888}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.600     0.800     0.800 peak   888 spectrum    1 weight  0.10000E+01 volume  0.54236E-02 ppm1      4.398 ppm2      1.385 CV     1
 ASSI {  894}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HB1 ))
      4.200     2.300     1.800 peak   894 spectrum    1 weight  0.10000E+01 volume  0.95796E-03 ppm1      6.822 ppm2      3.462 CV     1
 ASSI {  895}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HB2 ))
      4.300     2.300     1.700 peak   895 spectrum    1 weight  0.10000E+01 volume  0.90089E-03 ppm1      6.822 ppm2      2.812 CV     1
 ASSI {  896}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
      3.200     1.300     1.300 peak   896 spectrum    1 weight  0.10000E+01 volume  0.16755E-02 ppm1      6.823 ppm2      4.320 CV     1
 ASSI {  898}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HA  ))
      3.000     3.000     3.000 peak   898 spectrum    1 weight  0.10000E+01 volume  0.66568E-03 ppm1      6.824 ppm2      4.705 CV     1
 ASSI {  901}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
      2.800     0.900     0.900 peak   901 spectrum    1 weight  0.10000E+01 volume  0.18707E-02 ppm1      3.006 ppm2      3.579 CV     1
 ASSI {  902}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 35   and name HB1 ))
      2.700     0.900     0.900 peak   902 spectrum    1 weight  0.10000E+01 volume  0.16220E-02 ppm1      2.816 ppm2      3.580 CV     1
 ASSI {  903}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      1.700     0.300     0.500 peak   903 spectrum    1 weight  0.10000E+01 volume  0.12184E-01 ppm1      3.007 ppm2      2.812 CV     1
 ASSI {  905}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak   905 spectrum    1 weight  0.10000E+01 volume  0.33460E-02 ppm1      4.595 ppm2      2.811 CV     1
 ASSI {  906}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.700     0.900     0.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.23584E-02 ppm1      4.600 ppm2      2.997 CV     1
 ASSI {  909}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      3.500     1.500     1.500 peak   909 spectrum    1 weight  0.10000E+01 volume  0.16484E-02 ppm1      3.006 ppm2      7.143 CV     1
 ASSI {  910}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      3.500     1.500     1.500 peak   910 spectrum    1 weight  0.10000E+01 volume  0.15706E-02 ppm1      2.816 ppm2      7.148 CV     1
 ASSI {  920}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.27266E-02 ppm1      2.816 ppm2      8.773 CV     1
 ASSI {  924}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.200     1.200 peak   924 spectrum    1 weight  0.10000E+01 volume  0.17136E-02 ppm1      2.783 ppm2      4.251 CV     1
 ASSI {  925}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 38   and name HG11))
      2.900     1.100     1.100 peak   925 spectrum    1 weight  0.10000E+01 volume  0.53682E-03 ppm1      2.812 ppm2      1.834 CV     1
 ASSI {  940}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      5.300     3.500     0.700 peak   940 spectrum    1 weight  0.10000E+01 volume  0.48057E-03 ppm1      2.820 ppm2      0.235 CV     1
 ASSI {  944}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      2.400     0.700     0.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.59454E-02 ppm1      3.464 ppm2      7.442 CV     1
 ASSI {  945}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      2.400     0.700     0.700 peak   945 spectrum    1 weight  0.10000E+01 volume  0.54456E-02 ppm1      2.814 ppm2      7.443 CV     1
 ASSI {  950}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.600     1.600     1.600 peak   950 spectrum    1 weight  0.10000E+01 volume  0.23879E-02 ppm1      3.465 ppm2      8.122 CV     1
 ASSI {  951}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.500     0.800     0.800 peak   951 spectrum    1 weight  0.10000E+01 volume  0.28354E-02 ppm1      2.812 ppm2      8.121 CV     1
 ASSI {  953}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
      4.400     2.400     1.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.61575E-03 ppm1      2.813 ppm2      7.983 CV     1
 ASSI {  954}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HA  ))
      2.500     0.800     0.800 peak   954 spectrum    1 weight  0.10000E+01 volume  0.40261E-02 ppm1      3.465 ppm2      4.701 CV     1
 ASSI {  962}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HB2 ))
      1.700     0.300     0.500 peak   962 spectrum    1 weight  0.10000E+01 volume  0.16777E-01 ppm1      3.465 ppm2      2.813 CV     1
 ASSI {  964}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      4.400     2.400     1.600 peak   964 spectrum    1 weight  0.10000E+01 volume  0.46413E-03 ppm1      3.465 ppm2      0.640 CV     1
 ASSI {  966}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      4.600     2.700     1.400 peak   966 spectrum    1 weight  0.10000E+01 volume  0.23720E-03 ppm1      2.807 ppm2      0.639 CV     1
 OR {  966}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  973}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HA  ))
      2.800     1.000     1.000 peak   973 spectrum    1 weight  0.10000E+01 volume  0.34559E-02 ppm1      7.445 ppm2      4.704 CV     1
 ASSI {  977}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 56   and name HD% )
      1.800     0.400     0.400 peak   977 spectrum    1 weight  0.10000E+01 volume  0.23101E-01 ppm1      6.823 ppm2      7.443 CV     1
 ASSI {  983}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HN  ))
      2.700     0.900     0.900 peak   983 spectrum    1 weight  0.10000E+01 volume  0.27014E-02 ppm1      7.445 ppm2      8.125 CV     1
 ASSI {  988}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HB1 ))
      3.000     1.200     1.200 peak   988 spectrum    1 weight  0.10000E+01 volume  0.94599E-03 ppm1      7.445 ppm2      1.892 CV     1
 ASSI {  992}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB1 ))
      3.200     1.300     1.300 peak   992 spectrum    1 weight  0.10000E+01 volume  0.98491E-03 ppm1      6.824 ppm2      1.895 CV     1
 ASSI {  995}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HG1 ))
      3.100     1.200     1.200 peak   995 spectrum    1 weight  0.10000E+01 volume  0.19557E-02 ppm1      6.823 ppm2      1.384 CV     1
 OR {  995}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HG1 ))
 ASSI {  997}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD2%)
      2.100     0.600     0.600 peak   997 spectrum    1 weight  0.10000E+01 volume  0.96091E-02 ppm1      6.822 ppm2      1.031 CV     1
 OR {  997}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  999}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD2%)
      2.700     0.900     0.900 peak   999 spectrum    1 weight  0.10000E+01 volume  0.25457E-02 ppm1      6.823 ppm2      0.636 CV     1
 OR {  999}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1002}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 52   and name HB2 ))
      4.000     2.000     2.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.11127E-02 ppm1      7.444 ppm2      1.441 CV     1
 OR { 1002}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1006}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD1%)
      3.400     1.400     1.400 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.12614E-02 ppm1      7.446 ppm2      0.631 CV     1
 OR { 1006}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1008}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.700     0.700 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.90148E-02 ppm1      1.577 ppm2      4.481 CV     1
 ASSI { 1011}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.13274E-02 ppm1      1.576 ppm2      7.976 CV     1
 ASSI { 1015}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      2.700     0.900     0.900 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.25261E-02 ppm1      1.548 ppm2      6.762 CV     1
 ASSI { 1016}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      3.700     1.700     1.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.12857E-02 ppm1      1.548 ppm2      6.986 CV     1
 ASSI { 1017}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.400     1.400 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.17738E-02 ppm1      1.488 ppm2      7.984 CV     1
 ASSI { 1019}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.16434E-02 ppm1      4.232 ppm2      7.985 CV     1
 ASSI { 1021}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.15057E-02 ppm1      1.487 ppm2      4.232 CV     1
 ASSI { 1026}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.900     1.000     1.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.26836E-02 ppm1      4.485 ppm2      7.852 CV     1
 ASSI { 1028}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      2.300     0.700     0.700 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.89874E-02 ppm1      1.577 ppm2      7.852 CV     1
 ASSI { 1034}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.800     0.900     0.900 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.37550E-02 ppm1      4.399 ppm2      7.779 CV     1
 ASSI { 1039}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.000     1.100     1.100 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.32257E-02 ppm1      4.398 ppm2      7.849 CV     1
 ASSI { 1043}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.26856E-02 ppm1      2.150 ppm2      8.243 CV     1
 ASSI { 1044}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.31410E-02 ppm1      2.266 ppm2      8.243 CV     1
 ASSI { 1050}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.800     1.000     1.000 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.32748E-02 ppm1      4.398 ppm2      2.129 CV     1
 ASSI { 1052}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.700     0.900     0.900 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.45296E-02 ppm1      4.400 ppm2      2.281 CV     1
 ASSI { 1053}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.200     1.200     1.200 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.20487E-02 ppm1      4.397 ppm2      2.458 CV     1
 ASSI { 1054}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG1 ))
      4.800     2.900     1.200 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.23417E-03 ppm1      4.403 ppm2      2.541 CV     1
 ASSI { 1065}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HN  ))
      2.200     0.600     0.600 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.13310E-01 ppm1      1.613 ppm2      7.964 CV     1
 ASSI { 1066}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.900     0.900 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.53908E-02 ppm1      4.295 ppm2      7.966 CV     1
 ASSI { 1067}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.900     1.000     1.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.36840E-02 ppm1      4.294 ppm2      7.780 CV     1
 ASSI { 1068}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 84   and name HN  ))
      2.800     1.000     1.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.33708E-02 ppm1      1.613 ppm2      7.777 CV     1
 ASSI { 1074}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HA  ))
      2.200     0.600     0.600 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.16325E-01 ppm1      1.613 ppm2      4.292 CV     1
 ASSI { 1076}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 80   and name HA2 ))
      2.700     0.900     0.900 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.27866E-02 ppm1      1.613 ppm2      4.033 CV     1
 ASSI { 1096}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      2.900     1.000     1.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.35943E-02 ppm1      2.035 ppm2      4.272 CV     1
 ASSI { 1098}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
      2.100     0.500     0.500 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.11834E-01 ppm1      0.997 ppm2      4.232 CV     1
 ASSI { 1099}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      3.200     1.300     1.300 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.13777E-02 ppm1      0.995 ppm2      9.438 CV     1
 ASSI { 1103}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.900     0.900 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.35541E-02 ppm1      4.235 ppm2      8.275 CV     1
 ASSI { 1106}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     0.700     0.700 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.35171E-02 ppm1      1.858 ppm2      8.274 CV     1
 ASSI { 1117}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.700     1.700     1.700 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.27255E-02 ppm1      2.016 ppm2      4.917 CV     1
 ASSI { 1118}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.700     1.700 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.46048E-03 ppm1      1.865 ppm2      4.919 CV     1
 ASSI { 1119}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.000     1.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.20887E-02 ppm1      0.996 ppm2      4.912 CV     1
 ASSI { 1120}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.400     1.400 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.37038E-03 ppm1      0.996 ppm2      4.915 CV     1
 ASSI { 1126}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HA  ))
      3.600     1.600     1.600 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.63782E-03 ppm1      1.786 ppm2      4.330 CV     1
 ASSI { 1137}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.600     0.800     0.800 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.33118E-02 ppm1      4.235 ppm2      2.013 CV     1
 ASSI { 1139}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.100     0.500     0.500 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.94110E-02 ppm1      1.835 ppm2      2.033 CV     1
 ASSI { 1140}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.400     0.700     0.700 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.45516E-02 ppm1      1.866 ppm2      1.985 CV     1
 ASSI { 1141}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      2.700     0.900     0.900 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.33832E-02 ppm1      0.998 ppm2      2.007 CV     1
 ASSI { 1142}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HB1 ))
      2.900     1.100     1.100 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.31417E-02 ppm1      0.986 ppm2      2.037 CV     1
 OR { 1142}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1143}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB1 ))
      2.900     1.000     1.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.21051E-02 ppm1      0.998 ppm2      2.014 CV     1
 ASSI { 1145}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HB1 ))
      1.700     0.300     0.500 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.15340E-01 ppm1      1.570 ppm2      2.013 CV     1
 ASSI { 1146}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
      1.700     0.300     0.500 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.10487E-01 ppm1      1.566 ppm2      2.190 CV     1
 ASSI { 1147}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG  ))
      3.000     1.100     1.100 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.25693E-02 ppm1      4.235 ppm2      1.854 CV     1
 ASSI { 1150}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HG  ))
      2.500     0.800     0.800 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.35867E-02 ppm1      1.569 ppm2      1.856 CV     1
 ASSI { 1151}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HG  ))
      2.500     0.800     0.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.35187E-02 ppm1      0.995 ppm2      1.869 CV     1
 ASSI { 1159}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
      2.100     0.500     0.500 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.13912E-01 ppm1      4.236 ppm2      0.994 CV     1
 OR { 1159}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1171}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD1%)
      2.300     0.600     0.600 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.67373E-02 ppm1      1.875 ppm2      0.996 CV     1
 OR { 1171}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 1175}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.900     0.900 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.47936E-02 ppm1      1.639 ppm2      8.277 CV     1
 ASSI { 1176}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      3.300     1.400     1.400 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.14475E-02 ppm1      4.472 ppm2      8.274 CV     1
 ASSI { 1178}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.900     0.900 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.49804E-02 ppm1      4.471 ppm2      7.605 CV     1
 ASSI { 1182}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 58   and name HA  ))
      4.200     2.200     1.800 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.59750E-03 ppm1      1.638 ppm2      4.662 CV     1
 ASSI { 1184}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
      2.100     0.600     0.600 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.15716E-01 ppm1      1.639 ppm2      4.470 CV     1
 ASSI { 1186}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 78   and name HA  ))
      2.600     0.900     0.900 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.34843E-02 ppm1      1.639 ppm2      3.753 CV     1
 ASSI { 1199}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HN  ))
      4.800     2.900     1.200 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.67615E-03 ppm1      4.044 ppm2      8.904 CV     1
 OR { 1199}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1201}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 80   and name HN  ))
      2.200     0.600     0.600 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.11372E-01 ppm1      4.037 ppm2      8.415 CV     1
 OR { 1201}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 80   and name HN  ))
 OR { 1201}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 80   and name HN  ))
 OR { 1201}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1203}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 83   and name HN  ))
      3.500     1.500     1.500 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.94218E-03 ppm1      4.037 ppm2      7.965 CV     1
 OR { 1203}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 83   and name HN  ))
 OR { 1203}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 83   and name HN  ))
 OR { 1203}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 1204}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.100     1.100 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.31491E-02 ppm1      4.037 ppm2      7.609 CV     1
 OR { 1204}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HN  ))
 OR { 1204}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HN  ))
 OR { 1204}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 1206}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HA  ))
      4.400     2.500     1.600 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.46193E-03 ppm1      4.040 ppm2      4.920 CV     1
 OR { 1206}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 1208}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HA  ))
      3.700     1.700     1.700 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.98502E-03 ppm1      4.036 ppm2      4.468 CV     1
 OR { 1208}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 1213}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 78   and name HA  ))
      4.900     3.000     1.100 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.38104E-03 ppm1      4.037 ppm2      3.759 CV     1
 OR { 1213}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 1214}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HB1 ))
      4.400     2.400     1.600 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.41722E-03 ppm1      4.041 ppm2      3.103 CV     1
 OR { 1214}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1215}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HB2 ))
      4.800     2.900     1.200 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.33210E-03 ppm1      4.037 ppm2      2.773 CV     1
 OR { 1215}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1225}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HB1 ))
      1.900     0.400     0.400 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.84113E-02 ppm1      2.786 ppm2      3.101 CV     1
 ASSI { 1244}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.000     1.100     1.100 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.15403E-02 ppm1      3.106 ppm2      4.916 CV     1
 ASSI { 1246}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.20396E-02 ppm1      2.786 ppm2      4.915 CV     1
 ASSI { 1254}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD22))
      3.500     1.500     1.500 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.23082E-02 ppm1      2.784 ppm2      7.676 CV     1
 ASSI { 1268}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HA  ))
      2.900     1.000     1.000 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.22948E-02 ppm1      1.947 ppm2      3.752 CV     1
 ASSI { 1272}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.21771E-02 ppm1      1.746 ppm2      3.750 CV     1
 ASSI { 1274}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      4.400     2.400     1.600 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.73676E-03 ppm1      0.885 ppm2      3.895 CV     1
 ASSI { 1275}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      2.400     0.700     0.700 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.58912E-02 ppm1      0.885 ppm2      3.751 CV     1
 ASSI { 1276}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.000     1.100     1.100 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.14768E-02 ppm1      0.807 ppm2      3.906 CV     1
 ASSI { 1277}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.600     1.700     1.700 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.26591E-02 ppm1      0.806 ppm2      3.751 CV     1
 ASSI { 1280}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HA  ))
      2.500     0.800     0.800 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.26609E-02 ppm1      1.286 ppm2      3.752 CV     1
 ASSI { 1284}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      4.600     2.600     1.400 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.57226E-03 ppm1      0.883 ppm2      9.436 CV     1
 ASSI { 1289}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      4.000     2.000     2.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.61478E-03 ppm1      0.805 ppm2      8.891 CV     1
 ASSI { 1295}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HN  ))
      2.300     0.700     0.700 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.52639E-02 ppm1      1.948 ppm2      8.295 CV     1
 ASSI { 1296}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      5.100     3.300     0.900 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.34892E-03 ppm1      0.805 ppm2      8.452 CV     1
 ASSI { 1302}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      5.600     4.000     0.400 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.22779E-03 ppm1      0.885 ppm2      8.004 CV     1
 ASSI { 1307}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.500     1.500     1.500 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.29767E-03 ppm1      0.806 ppm2      7.431 CV     1
 ASSI { 1308}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 56   and name HD% )
      3.500     1.500     1.500 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.67819E-03 ppm1      0.885 ppm2      7.442 CV     1
 ASSI { 1309}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 56   and name HE% )
      3.300     1.400     1.400 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.38011E-03 ppm1      0.885 ppm2      6.817 CV     1
 ASSI { 1310}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.400     1.400 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.11109E-02 ppm1      0.885 ppm2      4.913 CV     1
 ASSI { 1320}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      4.500     2.600     1.500 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.41997E-03 ppm1      0.886 ppm2      3.462 CV     1
 ASSI { 1323}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      3.400     1.500     1.500 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.74299E-03 ppm1      0.808 ppm2      2.753 CV     1
 ASSI { 1330}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.000     1.100     1.100 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.75631E-03 ppm1      0.807 ppm2      2.330 CV     1
 ASSI { 1336}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      2.900     1.000     1.000 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.15463E-02 ppm1      0.806 ppm2      2.223 CV     1
 ASSI { 1343}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.200     0.600     0.600 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.59191E-02 ppm1      0.885 ppm2      1.942 CV     1
 ASSI { 1345}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HB  ))
      3.000     1.200     1.200 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.19502E-02 ppm1      1.283 ppm2      1.946 CV     1
 ASSI { 1350}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG11))
      2.300     0.700     0.700 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.38428E-02 ppm1      1.949 ppm2      1.743 CV     1
 ASSI { 1356}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG11))
      3.300     1.400     1.400 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.28823E-02 ppm1      0.884 ppm2      1.748 CV     1
 ASSI { 1358}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
      2.100     0.500     0.500 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.73848E-02 ppm1      0.806 ppm2      1.734 CV     1
 ASSI { 1359}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      3.300     1.400     1.400 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.15859E-02 ppm1      0.806 ppm2      1.541 CV     1
 ASSI { 1370}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HB2 ))
      3.600     1.600     1.600 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.18635E-02 ppm1      0.885 ppm2      1.383 CV     1
 ASSI { 1371}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG12))
      2.600     0.800     0.800 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.26768E-02 ppm1      0.883 ppm2      1.299 CV     1
 ASSI { 1372}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      2.600     0.800     0.800 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.18997E-02 ppm1      0.805 ppm2      1.462 CV     1
 ASSI { 1373}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      2.200     0.600     0.600 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.56555E-02 ppm1      0.806 ppm2      1.283 CV     1
 ASSI { 1390}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 5    and name HD1%)
      5.000     3.100     1.000 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.46546E-03 ppm1      1.749 ppm2      0.621 CV     1
 ASSI { 1401}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
      2.100     0.500     0.500 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.90073E-02 ppm1      0.808 ppm2      0.917 CV     1
 ASSI { 1407}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
      3.400     1.400     1.400 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.21633E-02 ppm1      0.804 ppm2      0.613 CV     1
 ASSI { 1417}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 77   and name HD2%)
      2.700     0.900     0.900 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.27745E-02 ppm1      1.821 ppm2      0.972 CV     1
 OR { 1417}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1432}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.600     0.800     0.800 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.69279E-02 ppm1      4.281 ppm2      1.875 CV     1
 ASSI { 1438}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
      2.900     1.100     1.100 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.22766E-02 ppm1      0.971 ppm2      1.945 CV     1
 OR { 1438}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1445}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 40   and name HB1 ))
      4.700     2.700     1.300 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.51511E-03 ppm1      1.843 ppm2      3.012 CV     1
 ASSI { 1466}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.55562E-02 ppm1      0.972 ppm2      4.290 CV     1
 OR { 1466}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1468}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 40   and name HD% )
      2.600     0.800     0.800 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.19732E-02 ppm1      1.840 ppm2      6.985 CV     1
 ASSI { 1469}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 35   and name HD% )
      4.500     2.600     1.500 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.58928E-03 ppm1      1.836 ppm2      7.145 CV     1
 ASSI { 1474}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.100     1.100 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.14165E-02 ppm1      1.837 ppm2      8.022 CV     1
 ASSI { 1476}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.800     0.800 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.48069E-02 ppm1      4.287 ppm2      8.005 CV     1
 ASSI { 1478}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.700     1.700     1.700 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.18767E-02 ppm1      1.929 ppm2      8.296 CV     1
 ASSI { 1481}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.200     1.300     1.300 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.17229E-02 ppm1      4.287 ppm2      8.294 CV     1
 ASSI { 1495}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      3.900     1.900     1.900 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.18822E-02 ppm1      2.721 ppm2      8.006 CV     1
 ASSI { 1496}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.23172E-02 ppm1      2.723 ppm2      4.251 CV     1
 ASSI { 1522}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      3.200     1.300     1.300 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.51604E-03 ppm1      2.190 ppm2      0.468 CV     1
 ASSI { 1525}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      2.300     2.300     3.700 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.36789E-02 ppm1      0.881 ppm2      0.466 CV     1
 ASSI { 1529}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
      2.700     0.900     0.900 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.30568E-02 ppm1      0.802 ppm2      0.612 CV     1
 ASSI { 1534}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.800     1.800     1.800 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.17917E-02 ppm1      3.901 ppm2      0.617 CV     1
 OR { 1534}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1537}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
      3.400     1.500     1.500 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.23186E-02 ppm1      2.196 ppm2      0.808 CV     1
 ASSI { 1538}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      2.100     0.500     0.500 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.98931E-02 ppm1      3.902 ppm2      0.805 CV     1
 ASSI { 1539}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 10   and name HD2%)
      4.000     2.000     2.000 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.12561E-02 ppm1      2.197 ppm2      1.145 CV     1
 ASSI { 1559}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG  ))
      3.000     1.100     1.100 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.27081E-02 ppm1      3.903 ppm2      1.707 CV     1
 ASSI { 1560}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HG  ))
      2.500     0.800     0.800 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.31612E-02 ppm1      2.190 ppm2      1.691 CV     1
 ASSI { 1570}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.900     1.100     1.100 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.28840E-02 ppm1      3.902 ppm2      2.191 CV     1
 ASSI { 1576}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      1.700     0.300     0.500 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.99517E-02 ppm1      1.578 ppm2      2.335 CV     1
 ASSI { 1589}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 79   and name HB1 ))
      5.000     3.100     1.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.23599E-03 ppm1      1.701 ppm2      3.098 CV     1
 ASSI { 1601}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.400     1.400     1.400 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.13120E-02 ppm1      1.565 ppm2      3.618 CV     1
 ASSI { 1606}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.35223E-02 ppm1      0.870 ppm2      3.943 CV     1
 ASSI { 1618}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HA  ))
      4.300     2.300     1.700 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.70444E-03 ppm1      0.880 ppm2      4.494 CV     1
 ASSI { 1619}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      4.700     2.800     1.300 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.58934E-03 ppm1      0.805 ppm2      4.534 CV     1
 ASSI { 1628}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      3.100     1.200     1.200 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.32071E-02 ppm1      0.804 ppm2      7.364 CV     1
 ASSI { 1630}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD21))
      3.500     1.500     1.500 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.18803E-02 ppm1      0.881 ppm2      7.358 CV     1
 ASSI { 1635}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD22))
      2.900     1.000     1.000 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.24868E-02 ppm1      0.880 ppm2      7.677 CV     1
 ASSI { 1643}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.28945E-02 ppm1      0.869 ppm2      8.443 CV     1
 ASSI { 1644}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.36546E-02 ppm1      3.904 ppm2      8.742 CV     1
 ASSI { 1645}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      2.300     0.700     0.700 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.48235E-02 ppm1      2.193 ppm2      8.729 CV     1
 ASSI { 1646}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
      4.400     2.400     1.600 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.83072E-03 ppm1      1.702 ppm2      8.728 CV     1
 ASSI { 1648}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.400     2.400     1.600 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.92510E-03 ppm1      0.802 ppm2      8.737 CV     1
 ASSI { 1650}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.800     1.800     1.800 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.23769E-02 ppm1      0.878 ppm2      8.728 CV     1
 ASSI { 1651}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.400     0.700     0.700 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.42675E-02 ppm1      1.565 ppm2      8.736 CV     1
 ASSI { 1659}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.600     2.600     1.400 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.78578E-03 ppm1      0.804 ppm2      9.444 CV     1
 ASSI { 1661}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      3.800     1.800     1.800 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.50178E-03 ppm1      0.804 ppm2      6.760 CV     1
 ASSI { 1663}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HN  ))
      5.100     3.300     0.900 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.49031E-03 ppm1      0.990 ppm2      7.738 CV     1
 ASSI { 1665}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
      4.800     2.900     1.200 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.56104E-03 ppm1      1.068 ppm2      7.739 CV     1
 OR { 1665}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 1669}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.24361E-02 ppm1      4.304 ppm2      7.738 CV     1
 ASSI { 1672}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 45   and name HD2%)
      2.900     1.000     1.000 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.92086E-03 ppm1      1.070 ppm2      0.373 CV     1
 OR { 1672}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 45   and name HD2%)
 ASSI { 1673}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 45   and name HD1%)
      3.400     1.500     1.500 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.32376E-03 ppm1      1.069 ppm2      0.247 CV     1
 OR { 1673}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 1674}
   (( segid "    " and resid 74   and name HG  ))
   (  segid "    " and resid 45   and name HD2%)
      3.300     1.300     1.300 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.74960E-03 ppm1      0.985 ppm2      0.386 CV     1
 ASSI { 1678}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.100     2.100     1.900 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.42228E-03 ppm1      1.069 ppm2      8.732 CV     1
 OR { 1678}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 1683}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      3.900     1.900     1.900 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.69950E-03 ppm1      1.071 ppm2      8.298 CV     1
 OR { 1683}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 OR { 1683}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
 OR { 1683}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1684}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
      4.300     2.300     1.700 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.39954E-03 ppm1      1.070 ppm2      8.008 CV     1
 OR { 1684}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
 OR { 1684}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 77   and name HN  ))
 OR { 1684}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1687}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 35   and name HZ  ))
      2.700     0.900     0.900 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.11976E-02 ppm1      1.695 ppm2      6.912 CV     1
 ASSI { 1688}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 35   and name HZ  ))
      3.200     1.300     1.300 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.17966E-02 ppm1      0.991 ppm2      6.899 CV     1
 ASSI { 1689}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
      4.700     2.800     1.300 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.52943E-03 ppm1      1.073 ppm2      6.908 CV     1
 OR { 1689}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
 OR { 1689}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
 OR { 1689}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1690}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.900     1.100     1.100 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.24384E-02 ppm1      2.440 ppm2      4.281 CV     1
 ASSI { 1692}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
      2.200     0.600     0.600 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.76055E-02 ppm1      1.071 ppm2      4.305 CV     1
 OR { 1692}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1698}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      3.900     1.900     1.900 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.62370E-03 ppm1      0.989 ppm2      3.956 CV     1
 ASSI { 1703}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HD1 ))
      2.600     0.800     0.800 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.23648E-02 ppm1      0.989 ppm2      3.101 CV     1
 ASSI { 1720}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.100     0.600     0.600 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.71658E-02 ppm1      0.989 ppm2      1.701 CV     1
 ASSI { 1721}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.10605E-01 ppm1      1.071 ppm2      1.705 CV     1
 OR { 1721}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 1725}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HG  ))
      2.400     0.700     0.700 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.45447E-02 ppm1      2.438 ppm2      0.995 CV     1
 ASSI { 1736}
   (( segid "    " and resid 74   and name HG  ))
   (  segid "    " and resid 45   and name HD1%)
      3.300     1.300     1.300 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.43315E-03 ppm1      0.985 ppm2      0.233 CV     1
 ASSI { 1741}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 69   and name HN  ))
      5.300     3.500     0.700 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.21669E-03 ppm1      2.641 ppm2      9.156 CV     1
 ASSI { 1742}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 69   and name HN  ))
      4.200     2.200     1.800 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.25175E-03 ppm1      2.512 ppm2      9.162 CV     1
 ASSI { 1750}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.600     1.600 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.27669E-02 ppm1      2.633 ppm2      8.242 CV     1
 ASSI { 1754}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HN  ))
      3.800     1.800     1.800 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.21532E-02 ppm1      2.633 ppm2      7.839 CV     1
 ASSI { 1755}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HN  ))
      4.200     2.200     1.800 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.17477E-02 ppm1      2.519 ppm2      7.836 CV     1
 ASSI { 1756}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.000     1.100     1.100 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.21614E-02 ppm1      4.250 ppm2      7.840 CV     1
 ASSI { 1759}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      3.200     1.300     1.300 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.63857E-03 ppm1      2.462 ppm2      7.746 CV     1
 ASSI { 1760}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.600     2.600     1.400 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.27020E-03 ppm1      2.632 ppm2      7.733 CV     1
 ASSI { 1761}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 74   and name HN  ))
      5.100     3.300     0.900 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.35034E-03 ppm1      2.506 ppm2      7.733 CV     1
 ASSI { 1763}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.60190E-03 ppm1      2.518 ppm2      7.489 CV     1
 ASSI { 1768}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.100     1.100 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.26191E-02 ppm1      2.633 ppm2      4.248 CV     1
 ASSI { 1769}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.700     1.700     1.700 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.15844E-02 ppm1      2.517 ppm2      4.248 CV     1
 ASSI { 1784}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.000     1.100     1.100 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.31491E-02 ppm1      4.220 ppm2      2.630 CV     1
 ASSI { 1787}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HG1 ))
      1.900     0.400     0.400 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.10396E-01 ppm1      2.515 ppm2      2.630 CV     1
 ASSI { 1799}
   (( segid "    " and resid 16   and name HG1 ))
   (  segid "    " and resid 13   and name HB% )
      4.700     2.700     1.300 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.43267E-03 ppm1      2.634 ppm2      1.693 CV     1
 ASSI { 1804}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 68   and name HG1%)
      3.900     1.900     1.900 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.72699E-03 ppm1      2.515 ppm2      1.121 CV     1
 ASSI { 1806}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      4.400     2.400     1.600 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.50633E-03 ppm1      2.290 ppm2      9.151 CV     1
 ASSI { 1810}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 68   and name HG1%)
      3.300     1.300     1.300 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.14860E-02 ppm1      2.475 ppm2      1.131 CV     1
 ASSI { 1811}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 68   and name HG1%)
      3.900     1.900     1.900 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.23678E-02 ppm1      2.291 ppm2      1.132 CV     1
 ASSI { 1816}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      2.500     0.800     0.800 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.42598E-02 ppm1      3.621 ppm2      0.468 CV     1
 ASSI { 1818}
   (( segid "    " and resid 72   and name HD1 ))
   (  segid "    " and resid 31   and name HD1%)
      5.200     3.400     0.800 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.21040E-03 ppm1      3.504 ppm2      0.474 CV     1
 ASSI { 1819}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      3.100     1.200     1.200 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.19054E-02 ppm1      3.620 ppm2      0.885 CV     1
 ASSI { 1825}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG1 ))
      2.300     0.700     0.700 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.52731E-02 ppm1      3.621 ppm2      1.643 CV     1
 OR { 1825}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1835}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.800     1.000     1.000 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.30092E-02 ppm1      1.599 ppm2      0.993 CV     1
 ASSI { 1836}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.900     1.000     1.000 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.25114E-02 ppm1      1.897 ppm2      0.996 CV     1
 ASSI { 1839}
   (( segid "    " and resid 60   and name HG11))
   (  segid "    " and resid 60   and name HG2%)
      3.700     1.700     1.700 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.16110E-02 ppm1      1.510 ppm2      1.017 CV     1
 ASSI { 1841}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.400     0.700     0.700 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.44634E-02 ppm1      3.505 ppm2      1.655 CV     1
 ASSI { 1842}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.900     1.000     1.000 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.24905E-02 ppm1      3.504 ppm2      1.530 CV     1
 ASSI { 1843}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.700     1.700     1.700 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.15818E-02 ppm1      3.505 ppm2      1.869 CV     1
 ASSI { 1847}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.900     1.000     1.000 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.35987E-02 ppm1      3.035 ppm2      1.653 CV     1
 ASSI { 1848}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.600     0.900     0.900 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.26536E-02 ppm1      3.032 ppm2      1.530 CV     1
 ASSI { 1849}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB1 ))
      2.900     1.100     1.100 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.18923E-02 ppm1      3.033 ppm2      1.871 CV     1
 ASSI { 1850}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HG11))
      1.600     0.300     0.600 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.10988E-01 ppm1      1.542 ppm2      1.840 CV     1
 ASSI { 1851}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.400     1.500     1.500 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.10954E-02 ppm1      1.656 ppm2      1.890 CV     1
 ASSI { 1856}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      5.000     3.100     1.000 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.34619E-03 ppm1      3.620 ppm2      2.295 CV     1
 ASSI { 1857}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.500     0.800     0.800 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.30541E-02 ppm1      3.620 ppm2      2.189 CV     1
 ASSI { 1859}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.800     1.000     1.000 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.40364E-02 ppm1      3.621 ppm2      1.870 CV     1
 ASSI { 1864}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HD2 ))
      1.700     0.400     0.500 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.13706E-01 ppm1      3.503 ppm2      3.032 CV     1
 ASSI { 1875}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.500     2.500     1.500 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.63111E-03 ppm1      3.621 ppm2      3.023 CV     1
 ASSI { 1880}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HD1 ))
      3.800     1.900     1.900 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.10397E-02 ppm1      3.620 ppm2      3.497 CV     1
 ASSI { 1885}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.13368E-02 ppm1      1.615 ppm2      3.619 CV     1
 ASSI { 1886}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD1 ))
      4.000     2.000     2.000 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.66423E-03 ppm1      1.614 ppm2      3.506 CV     1
 ASSI { 1887}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.100     1.100 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.15593E-02 ppm1      1.664 ppm2      3.622 CV     1
 ASSI { 1889}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.400     1.400     1.400 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.17280E-02 ppm1      1.527 ppm2      3.619 CV     1
 ASSI { 1901}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.300     1.400     1.400 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.59062E-03 ppm1      1.861 ppm2      4.733 CV     1
 ASSI { 1903}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      4.700     2.800     1.300 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.49563E-03 ppm1      1.600 ppm2      6.819 CV     1
 ASSI { 1909}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      4.500     2.500     1.500 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.99914E-03 ppm1      1.598 ppm2      7.442 CV     1
 ASSI { 1911}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH12))
      4.900     3.000     1.100 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.84758E-03 ppm1      1.523 ppm2      6.907 CV     1
 OR { 1911}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH22))
 OR { 1911}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH11))
 OR { 1911}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH21))
 ASSI { 1912}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 40   and name HD% )
      4.200     2.200     1.800 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.96285E-03 ppm1      1.544 ppm2      6.980 CV     1
 ASSI { 1913}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH12))
      2.700     0.900     0.900 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.39019E-02 ppm1      3.505 ppm2      6.911 CV     1
 OR { 1913}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH11))
 OR { 1913}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 1914}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH12))
      2.900     1.000     1.000 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.22717E-02 ppm1      3.034 ppm2      6.908 CV     1
 OR { 1914}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH11))
 OR { 1914}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 1917}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.500     1.500     1.500 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.92054E-03 ppm1      3.623 ppm2      7.837 CV     1
 ASSI { 1920}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.47206E-02 ppm1      1.895 ppm2      8.139 CV     1
 ASSI { 1922}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.39109E-02 ppm1      1.602 ppm2      8.138 CV     1
 ASSI { 1924}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.000     1.100     1.100 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.18705E-02 ppm1      3.622 ppm2      8.734 CV     1
 ASSI { 1926}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.29150E-02 ppm1      3.620 ppm2      9.007 CV     1
 ASSI { 1927}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HE  ))
      4.100     2.100     1.900 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.10331E-02 ppm1      1.872 ppm2      9.084 CV     1
 ASSI { 1935}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HE  ))
      2.700     0.900     0.900 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.29980E-02 ppm1      3.504 ppm2      9.089 CV     1
 ASSI { 1936}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HE  ))
      2.500     0.800     0.800 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.42611E-02 ppm1      3.031 ppm2      9.088 CV     1
 ASSI { 1939}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.46986E-02 ppm1      1.076 ppm2      4.939 CV     1
 ASSI { 1940}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      3.000     3.000     3.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.68614E-03 ppm1      1.074 ppm2      5.272 CV     1
 ASSI { 1941}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.21894E-02 ppm1      1.076 ppm2      5.056 CV     1
 ASSI { 1942}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HB  ))
      2.300     0.700     0.700 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.68560E-02 ppm1      1.076 ppm2      4.622 CV     1
 ASSI { 1943}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HA  ))
      2.600     0.800     0.800 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.30363E-02 ppm1      4.623 ppm2      4.948 CV     1
 ASSI { 1944}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      2.600     0.800     0.800 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.47249E-02 ppm1      1.075 ppm2      4.732 CV     1
 ASSI { 1951}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HG1 ))
      3.000     1.100     1.100 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.18891E-02 ppm1      1.077 ppm2      1.950 CV     1
 ASSI { 1952}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 14   and name HB1 ))
      4.800     2.900     1.200 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.56561E-03 ppm1      1.059 ppm2      1.994 CV     1
 ASSI { 1957}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
      3.000     1.200     1.200 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.25169E-02 ppm1      1.076 ppm2      3.012 CV     1
 ASSI { 1958}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HD1 ))
      3.200     3.200     2.800 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.54569E-03 ppm1      1.077 ppm2      3.458 CV     1
 ASSI { 1965}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      4.400     2.400     1.600 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.31704E-03 ppm1      1.073 ppm2      7.215 CV     1
 ASSI { 1966}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      2.900     1.000     1.000 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.25041E-02 ppm1      1.072 ppm2      7.488 CV     1
 ASSI { 1970}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      4.600     2.700     1.400 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.66176E-03 ppm1      1.073 ppm2      9.148 CV     1
 ASSI { 1971}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      5.200     3.400     0.800 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.31837E-03 ppm1      1.076 ppm2      9.016 CV     1
 ASSI { 1974}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      3.000     1.100     1.100 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.35205E-02 ppm1      2.878 ppm2      5.271 CV     1
 ASSI { 1976}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.22723E-02 ppm1      2.877 ppm2      9.155 CV     1
 ASSI { 1977}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.900     1.000     1.000 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.24296E-02 ppm1      5.276 ppm2      9.156 CV     1
 ASSI { 1981}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.500     1.500 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.15405E-02 ppm1      5.272 ppm2      7.492 CV     1
 ASSI { 1982}
   (( segid "    " and resid 55   and name HD1 ))
   (  segid "    " and resid 56   and name HE% )
      3.500     1.500     1.500 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.10993E-02 ppm1      3.103 ppm2      6.822 CV     1
 ASSI { 1983}
   (( segid "    " and resid 55   and name HD2 ))
   (  segid "    " and resid 56   and name HE% )
      3.200     1.300     1.300 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.10105E-02 ppm1      3.015 ppm2      6.820 CV     1
 ASSI { 1984}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      3.000     1.100     1.100 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.16835E-02 ppm1      5.279 ppm2      7.150 CV     1
 ASSI { 1989}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      4.900     3.000     1.100 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.51528E-03 ppm1      2.880 ppm2      4.454 CV     1
 ASSI { 1998}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.600     0.800     0.800 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.39605E-02 ppm1      5.273 ppm2      3.006 CV     1
 ASSI { 2015}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 70   and name HG2%)
      3.100     1.200     1.200 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.19104E-02 ppm1      2.880 ppm2      1.077 CV     1
 ASSI { 2037}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 69   and name HA  ))
      5.400     3.700     0.600 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.23553E-03 ppm1      1.135 ppm2      5.285 CV     1
 ASSI { 2038}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HN  ))
      4.600     2.600     1.400 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.41830E-03 ppm1      1.134 ppm2      8.004 CV     1
 ASSI { 2048}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      3.100     1.200     1.200 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.16263E-02 ppm1      2.079 ppm2      7.618 CV     1
 ASSI { 2052}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 68   and name HN  ))
      3.700     1.700     1.700 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.11220E-02 ppm1      1.756 ppm2      7.445 CV     1
 OR { 2052}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 2054}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HE  ))
      3.200     1.300     1.300 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.12869E-02 ppm1      3.305 ppm2      7.577 CV     1
 ASSI { 2055}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HE  ))
      3.000     1.100     1.100 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.18332E-02 ppm1      3.283 ppm2      7.428 CV     1
 OR { 2055}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HE  ))
 ASSI { 2063}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.41288E-02 ppm1      2.077 ppm2      4.627 CV     1
 ASSI { 2064}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     1.000     1.000 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.29621E-02 ppm1      1.875 ppm2      4.627 CV     1
 ASSI { 2065}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     1.000     1.000 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.36705E-02 ppm1      1.759 ppm2      4.629 CV     1
 OR { 2065}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 2066}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
      4.300     2.300     1.700 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.11213E-02 ppm1      3.282 ppm2      4.630 CV     1
 OR { 2066}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 2070}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      3.900     1.900     1.900 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.31325E-03 ppm1      2.082 ppm2      3.883 CV     1
 ASSI { 2073}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
      3.800     1.800     1.800 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.13915E-02 ppm1      1.756 ppm2      3.888 CV     1
 OR { 2073}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR { 2073}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR { 2073}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 64   and name HA  ))
 OR { 2073}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 64   and name HA  ))
 OR { 2073}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 2076}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD1 ))
      3.000     1.100     1.100 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.20789E-02 ppm1      2.077 ppm2      3.284 CV     1
 OR { 2076}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 2078}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD1 ))
      2.400     0.700     0.700 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.62998E-02 ppm1      1.756 ppm2      3.280 CV     1
 OR { 2078}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 2078}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 2078}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI { 2084}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB1 ))
      2.400     0.700     0.700 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.77231E-02 ppm1      1.752 ppm2      2.072 CV     1
 OR { 2084}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 2085}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB1 ))
      3.500     1.500     1.500 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.16009E-02 ppm1      3.308 ppm2      2.206 CV     1
 ASSI { 2088}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.300     0.700     0.700 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.78186E-02 ppm1      1.875 ppm2      1.755 CV     1
 OR { 2088}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 2090}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HB2 ))
      2.900     1.000     1.000 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.29319E-02 ppm1      3.284 ppm2      1.872 CV     1
 OR { 2090}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2100}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 64   and name HG1%)
      2.800     1.000     1.000 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.10151E-02 ppm1      3.281 ppm2      0.983 CV     1
 OR { 2100}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 2100}
   (( segid "    " and resid 67   and name HD2 ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 2100}
   (( segid "    " and resid 67   and name HD2 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 2103}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.400     0.700     0.700 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.44633E-02 ppm1      4.121 ppm2      8.083 CV     1
 ASSI { 2104}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HN  ))
      2.800     1.000     1.000 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.51066E-02 ppm1      3.931 ppm2      8.080 CV     1
 ASSI { 2105}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 67   and name HN  ))
      3.300     1.400     1.400 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.13617E-02 ppm1      4.121 ppm2      7.620 CV     1
 ASSI { 2110}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 67   and name HA  ))
      4.200     2.300     1.800 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.39476E-03 ppm1      4.125 ppm2      4.621 CV     1
 ASSI { 2111}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 67   and name HA  ))
      4.300     2.300     1.700 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.42347E-03 ppm1      3.935 ppm2      4.615 CV     1
 ASSI { 2112}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HA1 ))
      1.700     0.400     0.500 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.21776E-01 ppm1      3.930 ppm2      4.121 CV     1
 ASSI { 2122}
   (( segid "    " and resid 66   and name HA1 ))
   (  segid "    " and resid 65   and name HB% )
      4.200     2.300     1.800 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.65274E-03 ppm1      4.120 ppm2      1.403 CV     1
 ASSI { 2134}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.900     0.900 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.35192E-02 ppm1      4.038 ppm2      8.232 CV     1
 ASSI { 2135}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HN  ))
      2.300     0.700     0.700 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.72817E-02 ppm1      1.418 ppm2      8.232 CV     1
 ASSI { 2138}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.000     1.100     1.100 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.21031E-02 ppm1      4.038 ppm2      8.082 CV     1
 ASSI { 2139}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HN  ))
      2.900     1.000     1.000 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.26473E-02 ppm1      1.420 ppm2      8.082 CV     1
 ASSI { 2143}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.900     1.900     1.900 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.65247E-03 ppm1      4.038 ppm2      7.617 CV     1
 ASSI { 2147}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.23001E-02 ppm1      1.418 ppm2      4.461 CV     1
 ASSI { 2149}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      3.100     1.200     1.200 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.17558E-02 ppm1      1.419 ppm2      4.261 CV     1
 ASSI { 2151}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HA  ))
      2.200     0.600     0.600 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.91893E-02 ppm1      1.419 ppm2      4.035 CV     1
 ASSI { 2157}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HA2 ))
      3.600     1.600     1.600 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.12156E-02 ppm1      1.416 ppm2      3.921 CV     1
 ASSI { 2166}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 64   and name HB  ))
      3.800     1.800     1.800 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.14365E-02 ppm1      1.416 ppm2      2.211 CV     1
 ASSI { 2177}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 49   and name HB% )
      2.500     0.800     0.800 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.59868E-02 ppm1      1.417 ppm2      1.536 CV     1
 ASSI { 2179}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
      2.700     0.900     0.900 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.22187E-02 ppm1      4.037 ppm2      1.168 CV     1
 ASSI { 2185}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
      3.700     1.700     1.700 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.10381E-02 ppm1      1.417 ppm2      0.853 CV     1
 ASSI { 2186}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 45   and name HD2%)
      3.800     1.800     1.800 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.53350E-03 ppm1      1.417 ppm2      0.369 CV     1
 ASSI { 2187}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      3.700     1.700     1.700 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.53637E-03 ppm1      1.419 ppm2      0.237 CV     1
 ASSI { 2188}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      4.200     2.200     1.800 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.36655E-03 ppm1      4.042 ppm2      0.371 CV     1
 ASSI { 2189}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      3.800     1.800     1.800 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.60093E-03 ppm1      4.038 ppm2      0.227 CV     1
 ASSI { 2195}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
      2.200     0.600     0.600 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.10399E-01 ppm1      3.882 ppm2      1.014 CV     1
 OR { 2195}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 2201}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.200     1.300     1.300 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.11545E-02 ppm1      3.882 ppm2      1.868 CV     1
 ASSI { 2202}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.700     1.700     1.700 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.17271E-02 ppm1      3.883 ppm2      1.752 CV     1
 OR { 2202}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 2203}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
      2.600     0.800     0.800 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.45003E-02 ppm1      3.883 ppm2      2.228 CV     1
 ASSI { 2212}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
      3.200     1.300     1.300 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.15303E-02 ppm1      3.881 ppm2      3.279 CV     1
 OR { 2212}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI { 2215}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      4.300     2.300     1.700 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.91163E-03 ppm1      0.981 ppm2      3.465 CV     1
 ASSI { 2219}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      3.000     1.100     1.100 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.10804E-02 ppm1      2.231 ppm2      3.584 CV     1
 ASSI { 2224}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 27   and name HB2 ))
      3.300     1.300     1.300 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.45119E-03 ppm1      3.881 ppm2      4.000 CV     1
 ASSI { 2239}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.300     1.300     1.300 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.92704E-03 ppm1      3.881 ppm2      7.614 CV     1
 ASSI { 2248}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.300     1.300     1.300 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.14393E-02 ppm1      3.882 ppm2      8.233 CV     1
 ASSI { 2253}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.800     0.800 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.28561E-02 ppm1      2.232 ppm2      8.236 CV     1
 ASSI { 2266}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.500     0.800     0.800 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.69183E-02 ppm1      4.549 ppm2      2.841 CV     1
 ASSI { 2267}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.500     0.800     0.800 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.96907E-02 ppm1      4.550 ppm2      2.750 CV     1
 ASSI { 2299}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.200     1.200     1.200 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.17830E-02 ppm1      4.548 ppm2      7.447 CV     1
 ASSI { 2302}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.38595E-02 ppm1      4.550 ppm2      8.586 CV     1
 ASSI { 2303}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.400     1.500     1.500 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.15803E-02 ppm1      2.841 ppm2      8.588 CV     1
 ASSI { 2304}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.000     1.100     1.100 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.18060E-02 ppm1      2.755 ppm2      8.586 CV     1
 ASSI { 2309}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.30344E-02 ppm1      4.465 ppm2      8.773 CV     1
 ASSI { 2314}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.400     1.500     1.500 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.11908E-02 ppm1      2.813 ppm2      8.590 CV     1
 ASSI { 2318}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.62080E-02 ppm1      4.477 ppm2      8.254 CV     1
 ASSI { 2325}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.100     1.100 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.25920E-02 ppm1      2.761 ppm2      4.717 CV     1
 ASSI { 2327}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.37535E-02 ppm1      2.761 ppm2      4.465 CV     1
 ASSI { 2331}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.500     0.800     0.800 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.75421E-02 ppm1      4.465 ppm2      2.805 CV     1
 ASSI { 2336}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.24374E-02 ppm1      4.477 ppm2      2.078 CV     1
 ASSI { 2343}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.800     1.800     1.800 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.15573E-02 ppm1      2.542 ppm2      8.772 CV     1
 ASSI { 2344}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.100     0.500     0.500 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.12988E-01 ppm1      4.542 ppm2      8.774 CV     1
 ASSI { 2345}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
      5.300     3.600     0.700 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.47631E-03 ppm1      2.151 ppm2      8.772 CV     1
 OR { 2345}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 2353}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HN  ))
      4.700     2.800     1.300 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.34084E-03 ppm1      4.026 ppm2      8.311 CV     1
 ASSI { 2359}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      4.400     2.400     1.600 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.61784E-03 ppm1      2.545 ppm2      7.450 CV     1
 ASSI { 2361}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 64   and name HN  ))
      5.200     3.300     0.800 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.59186E-03 ppm1      2.141 ppm2      7.444 CV     1
 OR { 2361}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 2364}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
      2.200     0.600     0.600 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.69419E-02 ppm1      2.542 ppm2      4.539 CV     1
 ASSI { 2366}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
      4.600     2.600     1.400 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.11006E-02 ppm1      2.144 ppm2      4.635 CV     1
 OR { 2366}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 2367}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
      3.000     1.100     1.100 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.27790E-02 ppm1      2.146 ppm2      4.538 CV     1
 OR { 2367}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 2370}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD1 ))
      4.000     2.000     2.000 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.14481E-02 ppm1      2.542 ppm2      4.025 CV     1
 ASSI { 2371}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD1 ))
      3.700     1.700     1.700 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.15315E-02 ppm1      2.077 ppm2      4.025 CV     1
 ASSI { 2379}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD2 ))
      3.900     1.900     1.900 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.13554E-02 ppm1      2.542 ppm2      3.580 CV     1
 ASSI { 2380}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD2 ))
      2.900     1.100     1.100 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.15332E-02 ppm1      2.082 ppm2      3.582 CV     1
 ASSI { 2394}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB1 ))
      2.200     0.600     0.600 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.79088E-02 ppm1      2.148 ppm2      2.542 CV     1
 OR { 2394}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI { 2401}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.700     0.900     0.900 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.54472E-02 ppm1      4.542 ppm2      2.103 CV     1
 ASSI { 2402}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 67   and name HB2 ))
      4.900     3.000     1.100 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.42193E-03 ppm1      2.080 ppm2      1.875 CV     1
 ASSI { 2410}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HG12))
      4.800     2.900     1.200 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.29755E-03 ppm1      3.587 ppm2      1.144 CV     1
 ASSI { 2411}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HG12))
      5.000     3.200     1.000 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.31499E-03 ppm1      4.027 ppm2      1.159 CV     1
 ASSI { 2413}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 64   and name HG2%)
      3.800     1.800     1.800 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.14934E-02 ppm1      2.543 ppm2      1.026 CV     1
 ASSI { 2421}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      3.100     1.200     1.200 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.38360E-02 ppm1      3.812 ppm2      8.480 CV     1
 ASSI { 2423}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      3.600     1.600     1.600 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.98572E-03 ppm1      3.811 ppm2      8.310 CV     1
 ASSI { 2426}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.33231E-02 ppm1      3.812 ppm2      4.834 CV     1
 ASSI { 2427}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.000     1.100     1.100 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.30303E-02 ppm1      3.760 ppm2      4.832 CV     1
 ASSI { 2446}
   (( segid "    " and resid 60   and name HG11))
   (  segid "    " and resid 60   and name HD1%)
      2.200     0.600     0.600 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.61747E-02 ppm1      1.512 ppm2      0.860 CV     1
 ASSI { 2447}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
      2.600     0.800     0.800 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.36849E-02 ppm1      1.825 ppm2      0.858 CV     1
 ASSI { 2448}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG12))
      3.200     1.300     1.300 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.19786E-02 ppm1      1.824 ppm2      1.136 CV     1
 ASSI { 2449}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HG2%)
      2.300     0.700     0.700 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.57962E-02 ppm1      1.823 ppm2      1.024 CV     1
 ASSI { 2465}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      4.200     2.300     1.800 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.89498E-03 ppm1      1.824 ppm2      3.583 CV     1
 ASSI { 2467}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD1 ))
      4.400     2.400     1.600 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.99925E-03 ppm1      1.825 ppm2      4.027 CV     1
 ASSI { 2479}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.100     1.100 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.20226E-02 ppm1      1.824 ppm2      4.634 CV     1
 ASSI { 2485}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.23798E-03 ppm1      0.885 ppm2      7.550 CV     1
 ASSI { 2491}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HN  ))
      2.800     1.000     1.000 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.25771E-02 ppm1      1.825 ppm2      8.313 CV     1
 ASSI { 2497}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.200     0.600     0.600 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.10537E-01 ppm1      4.675 ppm2      8.480 CV     1
 ASSI { 2503}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      3.500     1.500     1.500 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.17760E-02 ppm1      0.979 ppm2      8.479 CV     1
 ASSI { 2513}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.20252E-02 ppm1      0.981 ppm2      7.499 CV     1
 ASSI { 2519}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.800     0.800 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.49203E-02 ppm1      0.932 ppm2      7.496 CV     1
 ASSI { 2528}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.28770E-02 ppm1      0.932 ppm2      4.673 CV     1
 ASSI { 2530}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      2.900     1.000     1.000 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.56351E-02 ppm1      0.980 ppm2      4.673 CV     1
 ASSI { 2549}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB1 ))
      3.400     1.400     1.400 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.13895E-02 ppm1      0.933 ppm2      3.465 CV     1
 ASSI { 2550}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.000     1.200     1.200 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.12357E-02 ppm1      0.982 ppm2      2.804 CV     1
 ASSI { 2551}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG2 ))
      4.100     2.100     1.900 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.19732E-02 ppm1      0.933 ppm2      2.339 CV     1
 ASSI { 2552}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      2.200     0.600     0.600 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.81456E-02 ppm1      0.932 ppm2      2.134 CV     1
 ASSI { 2553}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      2.400     0.700     0.700 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.54145E-02 ppm1      4.671 ppm2      2.134 CV     1
 ASSI { 2555}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HG  ))
      3.600     1.600     1.600 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.11683E-02 ppm1      0.931 ppm2      1.847 CV     1
 ASSI { 2557}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 81   and name HB% )
      2.700     0.900     0.900 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.26782E-02 ppm1      2.136 ppm2      1.638 CV     1
 ASSI { 2558}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 81   and name HB% )
      2.800     1.000     1.000 peak  2558 spectrum    1 weight  0.10000E+01 volume  0.38984E-02 ppm1      0.931 ppm2      1.640 CV     1
 ASSI { 2559}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 81   and name HB% )
      2.700     0.900     0.900 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.48470E-02 ppm1      0.980 ppm2      1.635 CV     1
 ASSI { 2560}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 85   and name HB% )
      3.600     1.600     1.600 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.27981E-02 ppm1      0.977 ppm2      1.606 CV     1
 ASSI { 2572}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 57   and name HN  ))
      2.200     0.600     0.600 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.11904E-01 ppm1      4.102 ppm2      7.977 CV     1
 OR { 2572}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 2573}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
      4.200     2.200     1.800 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.12043E-02 ppm1      4.103 ppm2      8.112 CV     1
 OR { 2573}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2577}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     0.900     0.900 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.35248E-02 ppm1      4.102 ppm2      7.497 CV     1
 OR { 2577}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 2590}
   (( segid "    " and resid 57   and name HA1 ))
   (  segid "    " and resid 58   and name HG2%)
      4.300     2.300     1.700 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.11815E-02 ppm1      4.104 ppm2      0.977 CV     1
 OR { 2590}
   (( segid "    " and resid 57   and name HA1 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 2590}
   (( segid "    " and resid 57   and name HA2 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 2590}
   (( segid "    " and resid 57   and name HA2 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2605}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.40575E-02 ppm1      4.104 ppm2      8.138 CV     1
 ASSI { 2606}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HN  ))
      4.100     2.100     1.900 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.16039E-02 ppm1      1.372 ppm2      8.139 CV     1
 ASSI { 2607}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
      4.700     2.800     1.300 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.55396E-03 ppm1      0.986 ppm2      8.136 CV     1
 ASSI { 2627}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HA  ))
      3.700     1.700     1.700 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.90760E-03 ppm1      3.102 ppm2      4.105 CV     1
 ASSI { 2629}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.11769E-02 ppm1      1.896 ppm2      4.317 CV     1
 ASSI { 2630}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      3.600     1.600     1.600 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.55906E-03 ppm1      1.588 ppm2      4.318 CV     1
 ASSI { 2635}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HD2 ))
      4.300     2.300     1.700 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.66493E-03 ppm1      4.103 ppm2      3.017 CV     1
 ASSI { 2636}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HD1 ))
      3.100     1.200     1.200 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.25042E-02 ppm1      1.371 ppm2      3.100 CV     1
 ASSI { 2640}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.50164E-02 ppm1      4.104 ppm2      1.895 CV     1
 ASSI { 2642}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB1 ))
      3.200     1.300     1.300 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.14538E-02 ppm1      3.103 ppm2      1.890 CV     1
 ASSI { 2643}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.14009E-02 ppm1      3.018 ppm2      1.894 CV     1
 ASSI { 2644}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.600     0.800     0.800 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.34305E-02 ppm1      4.105 ppm2      1.602 CV     1
 ASSI { 2646}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.700     1.700     1.700 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.12981E-02 ppm1      3.104 ppm2      1.607 CV     1
 ASSI { 2648}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak  2648 spectrum    1 weight  0.10000E+01 volume  0.25164E-02 ppm1      3.017 ppm2      1.374 CV     1
 ASSI { 2650}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.600     0.800     0.800 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.39882E-02 ppm1      1.893 ppm2      1.373 CV     1
 ASSI { 2652}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.400     0.700     0.700 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.39388E-02 ppm1      1.604 ppm2      1.378 CV     1
 ASSI { 2653}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.000     1.100     1.100 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.16501E-02 ppm1      4.104 ppm2      0.987 CV     1
 ASSI { 2654}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HG2 ))
      1.700     0.400     0.500 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.12989E-01 ppm1      1.373 ppm2      0.985 CV     1
 ASSI { 2657}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG2 ))
      3.000     1.200     1.200 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.27591E-02 ppm1      3.019 ppm2      0.990 CV     1
 ASSI { 2666}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak  2666 spectrum    1 weight  0.10000E+01 volume  0.34708E-02 ppm1      4.387 ppm2      8.054 CV     1
 ASSI { 2668}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.200     0.600     0.600 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.15733E-01 ppm1      4.112 ppm2      4.382 CV     1
 OR { 2668}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 2669}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.40453E-02 ppm1      4.113 ppm2      4.239 CV     1
 OR { 2669}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
 OR { 2669}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
 OR { 2669}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 2677}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      3.300     1.400     1.400 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.54714E-02 ppm1      4.120 ppm2      0.933 CV     1
 ASSI { 2678}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
      3.900     1.900     1.900 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.90390E-03 ppm1      4.119 ppm2      0.820 CV     1
 ASSI { 2684}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      5.200     3.400     0.800 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.52014E-03 ppm1      4.120 ppm2      2.138 CV     1
 ASSI { 2687}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      1.600     0.300     0.600 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.17888E-01 ppm1      2.350 ppm2      2.214 CV     1
 ASSI { 2696}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 60   and name HG12))
      5.800     4.200     0.200 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.31137E-03 ppm1      2.760 ppm2      1.124 CV     1
 ASSI { 2713}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
      1.700     0.400     0.500 peak  2713 spectrum    1 weight  0.10000E+01 volume  0.12761E-01 ppm1      2.481 ppm2      2.358 CV     1
 OR { 2713}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 2714}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HB1 ))
      2.700     0.900     0.900 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.53632E-02 ppm1      2.757 ppm2      2.481 CV     1
 ASSI { 2715}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HG2 ))
      1.600     0.300     0.600 peak  2715 spectrum    1 weight  0.10000E+01 volume  0.12936E-01 ppm1      2.757 ppm2      2.334 CV     1
 ASSI { 2717}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HB1 ))
      2.200     0.600     0.600 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.58756E-02 ppm1      2.327 ppm2      2.483 CV     1
 ASSI { 2719}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.600     0.900     0.900 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.39806E-02 ppm1      4.120 ppm2      2.756 CV     1
 ASSI { 2720}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.300     0.700     0.700 peak  2720 spectrum    1 weight  0.10000E+01 volume  0.46394E-02 ppm1      4.120 ppm2      2.480 CV     1
 ASSI { 2721}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      2.200     0.600     0.600 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.73553E-02 ppm1      4.120 ppm2      2.343 CV     1
 OR { 2721}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 2724}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.300     0.700     0.700 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.44709E-02 ppm1      2.375 ppm2      2.751 CV     1
 ASSI { 2727}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 50   and name HA  ))
      4.300     2.300     1.700 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.13693E-02 ppm1      2.481 ppm2      4.285 CV     1
 ASSI { 2733}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      4.500     2.500     1.500 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.82046E-03 ppm1      2.322 ppm2      4.279 CV     1
 ASSI { 2734}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.500     0.800     0.800 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.27113E-02 ppm1      2.327 ppm2      4.118 CV     1
 ASSI { 2739}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 59   and name HA  ))
      5.100     3.300     0.900 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.32699E-03 ppm1      2.752 ppm2      4.835 CV     1
 ASSI { 2740}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.700     1.700     1.700 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.42147E-03 ppm1      2.334 ppm2      4.835 CV     1
 ASSI { 2743}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.900     0.900 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.31904E-02 ppm1      4.119 ppm2      7.500 CV     1
 ASSI { 2752}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.400     1.400     1.400 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.11255E-02 ppm1      4.118 ppm2      8.034 CV     1
 ASSI { 2759}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      2.800     1.000     1.000 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.13449E-02 ppm1      2.370 ppm2      8.060 CV     1
 ASSI { 2766}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      5.000     3.100     1.000 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.55315E-03 ppm1      2.326 ppm2      8.059 CV     1
 ASSI { 2771}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.34395E-02 ppm1      4.121 ppm2      8.916 CV     1
 ASSI { 2772}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.15538E-02 ppm1      2.369 ppm2      8.917 CV     1
 ASSI { 2775}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700     0.900     0.900 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.42790E-02 ppm1      4.321 ppm2      1.452 CV     1
 ASSI { 2777}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      2.300     0.700     0.700 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.61962E-02 ppm1      0.870 ppm2      1.449 CV     1
 ASSI { 2793}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 56   and name HE% )
      2.300     0.700     0.700 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.60109E-02 ppm1      1.038 ppm2      6.820 CV     1
 ASSI { 2795}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      2.700     0.900     0.900 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.36852E-02 ppm1      4.322 ppm2      7.444 CV     1
 ASSI { 2806}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.700     0.900     0.900 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.21052E-02 ppm1      4.323 ppm2      8.451 CV     1
 ASSI { 2807}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak  2807 spectrum    1 weight  0.10000E+01 volume  0.24123E-02 ppm1      2.059 ppm2      8.451 CV     1
 ASSI { 2816}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      2.100     0.500     0.500 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.17814E-01 ppm1      1.662 ppm2      4.273 CV     1
 ASSI { 2826}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.400     0.700     0.700 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.33949E-02 ppm1      4.286 ppm2      2.359 CV     1
 OR { 2826}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 2832}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.500     1.500     1.500 peak  2832 spectrum    1 weight  0.10000E+01 volume  0.11988E-02 ppm1      4.285 ppm2      2.757 CV     1
 ASSI { 2841}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.200     0.600     0.600 peak  2841 spectrum    1 weight  0.10000E+01 volume  0.11721E-01 ppm1      1.661 ppm2      8.216 CV     1
 ASSI { 2842}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 54   and name HN  ))
      4.100     2.100     1.900 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.79893E-03 ppm1      1.661 ppm2      8.052 CV     1
 ASSI { 2844}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak  2844 spectrum    1 weight  0.10000E+01 volume  0.34880E-02 ppm1      4.285 ppm2      8.219 CV     1
 ASSI { 2847}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      4.600     2.700     1.400 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.58284E-03 ppm1      1.660 ppm2      8.730 CV     1
 ASSI { 2861}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 54   and name HN  ))
      4.900     3.000     1.100 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.40925E-03 ppm1      1.546 ppm2      8.029 CV     1
 ASSI { 2863}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 14   and name HD1%)
      4.400     2.400     1.600 peak  2863 spectrum    1 weight  0.10000E+01 volume  0.34287E-03 ppm1      4.435 ppm2      0.772 CV     1
 ASSI { 2866}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      5.300     3.500     0.700 peak  2866 spectrum    1 weight  0.10000E+01 volume  0.19446E-03 ppm1      3.966 ppm2      1.546 CV     1
 ASSI { 2886}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.000     1.000 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.40393E-02 ppm1      2.351 ppm2      4.244 CV     1
 ASSI { 2887}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.600     0.800     0.800 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.34469E-02 ppm1      2.215 ppm2      4.237 CV     1
 ASSI { 2888}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.22348E-02 ppm1      2.605 ppm2      4.241 CV     1
 ASSI { 2889}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     1.300     1.300 peak  2889 spectrum    1 weight  0.10000E+01 volume  0.24136E-02 ppm1      2.463 ppm2      4.241 CV     1
 ASSI { 2905}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.300     0.700     0.700 peak  2905 spectrum    1 weight  0.10000E+01 volume  0.73268E-02 ppm1      4.248 ppm2      2.019 CV     1
 ASSI { 2907}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HB1 ))
      2.400     0.700     0.700 peak  2907 spectrum    1 weight  0.10000E+01 volume  0.50784E-02 ppm1      2.604 ppm2      2.347 CV     1
 ASSI { 2908}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HB1 ))
      2.200     0.600     0.600 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.17800E-01 ppm1      2.496 ppm2      2.257 CV     1
 OR { 2908}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 2909}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.800     1.000     1.000 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.39671E-02 ppm1      2.604 ppm2      2.216 CV     1
 ASSI { 2910}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.200     0.600     0.600 peak  2910 spectrum    1 weight  0.10000E+01 volume  0.11567E-01 ppm1      2.497 ppm2      2.150 CV     1
 OR { 2910}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 2913}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG2 ))
      2.400     0.700     0.700 peak  2913 spectrum    1 weight  0.10000E+01 volume  0.58789E-02 ppm1      2.221 ppm2      2.465 CV     1
 ASSI { 2928}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
      3.400     1.400     1.400 peak  2928 spectrum    1 weight  0.10000E+01 volume  0.89536E-03 ppm1      4.248 ppm2      3.322 CV     1
 ASSI { 2938}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak  2938 spectrum    1 weight  0.10000E+01 volume  0.34617E-02 ppm1      2.217 ppm2      8.499 CV     1
 ASSI { 2939}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.900     1.900     1.900 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.20156E-02 ppm1      2.603 ppm2      8.499 CV     1
 ASSI { 2940}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      3.900     1.900     1.900 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.21140E-02 ppm1      2.463 ppm2      8.499 CV     1
 ASSI { 2961}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 65   and name HB% )
      5.100     3.300     0.900 peak  2961 spectrum    1 weight  0.10000E+01 volume  0.18149E-03 ppm1      2.848 ppm2      1.422 CV     1
 ASSI { 2962}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 65   and name HB% )
      4.500     2.600     1.500 peak  2962 spectrum    1 weight  0.10000E+01 volume  0.38985E-03 ppm1      2.756 ppm2      1.406 CV     1
 ASSI { 2967}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.300     2.300     1.700 peak  2967 spectrum    1 weight  0.10000E+01 volume  0.12780E-02 ppm1      2.753 ppm2      2.219 CV     1
 ASSI { 2970}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG1 ))
      2.200     0.600     0.600 peak  2970 spectrum    1 weight  0.10000E+01 volume  0.11631E-01 ppm1      2.339 ppm2      2.843 CV     1
 OR { 2970}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 2980}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 17   and name HB1 ))
      5.900     4.300     0.100 peak  2980 spectrum    1 weight  0.10000E+01 volume  0.24055E-03 ppm1      2.846 ppm2      4.161 CV     1
 ASSI { 2991}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak  2991 spectrum    1 weight  0.10000E+01 volume  0.59202E-02 ppm1      2.334 ppm2      8.240 CV     1
 OR { 2991}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 2992}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     1.000     1.000 peak  2992 spectrum    1 weight  0.10000E+01 volume  0.78707E-03 ppm1      2.846 ppm2      8.489 CV     1
 ASSI { 2993}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.500     2.500     1.500 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.73027E-03 ppm1      2.755 ppm2      8.491 CV     1
 ASSI { 2996}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.600     0.900     0.900 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.27066E-02 ppm1      2.849 ppm2      8.241 CV     1
 ASSI { 2997}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.000     1.000 peak  2997 spectrum    1 weight  0.10000E+01 volume  0.26443E-02 ppm1      2.756 ppm2      8.240 CV     1
 ASSI { 3003}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      2.400     0.700     0.700 peak  3003 spectrum    1 weight  0.10000E+01 volume  0.53580E-02 ppm1      0.238 ppm2      1.391 CV     1
 ASSI { 3004}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      2.400     0.700     0.700 peak  3004 spectrum    1 weight  0.10000E+01 volume  0.52689E-02 ppm1      0.374 ppm2      1.392 CV     1
 ASSI { 3008}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      3.300     1.300     1.300 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.36652E-02 ppm1      3.922 ppm2      0.237 CV     1
 ASSI { 3011}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      3.400     1.400     1.400 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.22599E-02 ppm1      1.565 ppm2      0.237 CV     1
 ASSI { 3012}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 45   and name HD1%)
      2.300     0.700     0.700 peak  3012 spectrum    1 weight  0.10000E+01 volume  0.86374E-02 ppm1      0.374 ppm2      0.248 CV     1
 ASSI { 3016}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 14   and name HD1%)
      3.800     1.800     1.800 peak  3016 spectrum    1 weight  0.10000E+01 volume  0.14856E-02 ppm1      0.239 ppm2      0.758 CV     1
 ASSI { 3029}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
      2.600     0.800     0.800 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.45747E-02 ppm1      0.239 ppm2      1.576 CV     1
 OR { 3029}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 3031}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
      4.000     2.000     2.000 peak  3031 spectrum    1 weight  0.10000E+01 volume  0.61135E-03 ppm1      0.375 ppm2      1.714 CV     1
 ASSI { 3032}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB1 ))
      2.700     0.900     0.900 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.59256E-02 ppm1      0.374 ppm2      1.566 CV     1
 OR { 3032}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 3050}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HB2 ))
      3.000     1.100     1.100 peak  3050 spectrum    1 weight  0.10000E+01 volume  0.73741E-03 ppm1      0.374 ppm2      2.815 CV     1
 ASSI { 3058}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
      4.400     2.400     1.600 peak  3058 spectrum    1 weight  0.10000E+01 volume  0.48356E-03 ppm1      0.239 ppm2      3.107 CV     1
 ASSI { 3059}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      4.400     2.400     1.600 peak  3059 spectrum    1 weight  0.10000E+01 volume  0.79362E-03 ppm1      0.240 ppm2      3.004 CV     1
 ASSI { 3060}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB2 ))
      4.300     2.300     1.700 peak  3060 spectrum    1 weight  0.10000E+01 volume  0.82261E-03 ppm1      0.375 ppm2      3.096 CV     1
 ASSI { 3061}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HB1 ))
      4.200     2.200     1.800 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.51588E-03 ppm1      0.373 ppm2      3.014 CV     1
 ASSI { 3062}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      4.200     2.200     1.800 peak  3062 spectrum    1 weight  0.10000E+01 volume  0.68818E-03 ppm1      0.238 ppm2      3.575 CV     1
 ASSI { 3063}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
      3.500     1.500     1.500 peak  3063 spectrum    1 weight  0.10000E+01 volume  0.90551E-03 ppm1      0.374 ppm2      3.578 CV     1
 ASSI { 3064}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  3064 spectrum    1 weight  0.10000E+01 volume  0.15211E-02 ppm1      1.566 ppm2      3.918 CV     1
 ASSI { 3065}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  3065 spectrum    1 weight  0.10000E+01 volume  0.20501E-02 ppm1      1.593 ppm2      3.915 CV     1
 OR { 3065}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 3066}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HA  ))
      3.600     1.600     1.600 peak  3066 spectrum    1 weight  0.10000E+01 volume  0.82234E-03 ppm1      1.388 ppm2      3.927 CV     1
 ASSI { 3067}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 66   and name HA1 ))
      4.600     2.600     1.400 peak  3067 spectrum    1 weight  0.10000E+01 volume  0.45630E-03 ppm1      0.238 ppm2      4.140 CV     1
 ASSI { 3074}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
      3.600     1.600     1.600 peak  3074 spectrum    1 weight  0.10000E+01 volume  0.37717E-02 ppm1      0.374 ppm2      3.920 CV     1
 ASSI { 3093}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      3.700     1.700     1.700 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.12585E-02 ppm1      0.238 ppm2      7.147 CV     1
 ASSI { 3095}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      5.300     3.500     0.700 peak  3095 spectrum    1 weight  0.10000E+01 volume  0.37349E-03 ppm1      0.237 ppm2      6.761 CV     1
 ASSI { 3096}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HD% )
      3.000     1.100     1.100 peak  3096 spectrum    1 weight  0.10000E+01 volume  0.13455E-02 ppm1      0.374 ppm2      7.142 CV     1
 ASSI { 3097}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.000     1.100     1.100 peak  3097 spectrum    1 weight  0.10000E+01 volume  0.16226E-02 ppm1      0.374 ppm2      6.935 CV     1
 OR { 3097}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 3104}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.000     1.000 peak  3104 spectrum    1 weight  0.10000E+01 volume  0.17176E-02 ppm1      1.586 ppm2      8.241 CV     1
 OR { 3104}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 3107}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      4.100     2.100     1.900 peak  3107 spectrum    1 weight  0.10000E+01 volume  0.63298E-03 ppm1      0.234 ppm2      8.241 CV     1
 ASSI { 3109}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HN  ))
      4.200     2.300     1.800 peak  3109 spectrum    1 weight  0.10000E+01 volume  0.54418E-03 ppm1      0.372 ppm2      8.238 CV     1
 ASSI { 3116}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.900     0.900 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.27766E-02 ppm1      3.923 ppm2      8.470 CV     1
 ASSI { 3117}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.800     0.800 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.34319E-02 ppm1      1.595 ppm2      8.469 CV     1
 OR { 3117}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 3118}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HN  ))
      4.000     2.000     2.000 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.19371E-02 ppm1      1.390 ppm2      8.468 CV     1
 ASSI { 3127}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 44   and name HN  ))
      2.200     0.600     0.600 peak  3127 spectrum    1 weight  0.10000E+01 volume  0.10054E-01 ppm1      1.540 ppm2      8.171 CV     1
 ASSI { 3129}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak  3129 spectrum    1 weight  0.10000E+01 volume  0.32439E-02 ppm1      1.541 ppm2      4.589 CV     1
 ASSI { 3135}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      3.300     1.300     1.300 peak  3135 spectrum    1 weight  0.10000E+01 volume  0.76865E-02 ppm1      4.369 ppm2      0.895 CV     1
 ASSI { 3138}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.900     3.100     1.100 peak  3138 spectrum    1 weight  0.10000E+01 volume  0.54671E-03 ppm1      1.539 ppm2      0.236 CV     1
 ASSI { 3139}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      2.400     0.700     0.700 peak  3139 spectrum    1 weight  0.10000E+01 volume  0.79303E-02 ppm1      4.331 ppm2      0.962 CV     1
 ASSI { 3141}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
      2.200     0.600     0.600 peak  3141 spectrum    1 weight  0.10000E+01 volume  0.12596E-01 ppm1      4.330 ppm2      1.540 CV     1
 ASSI { 3144}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.600     0.800     0.800 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.35194E-02 ppm1      4.331 ppm2      1.787 CV     1
 OR { 3144}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 3145}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.500     2.600     1.500 peak  3145 spectrum    1 weight  0.10000E+01 volume  0.62778E-03 ppm1      4.328 ppm2      2.598 CV     1
 ASSI { 3146}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
      4.000     2.000     2.000 peak  3146 spectrum    1 weight  0.10000E+01 volume  0.96456E-03 ppm1      4.329 ppm2      2.463 CV     1
 ASSI { 3147}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.500     0.800     0.800 peak  3147 spectrum    1 weight  0.10000E+01 volume  0.37036E-02 ppm1      4.329 ppm2      2.350 CV     1
 ASSI { 3148}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.000     1.100     1.100 peak  3148 spectrum    1 weight  0.10000E+01 volume  0.21312E-02 ppm1      4.330 ppm2      2.209 CV     1
 ASSI { 3159}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.800     0.800 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.41701E-02 ppm1      4.330 ppm2      8.170 CV     1
 ASSI { 3168}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak  3168 spectrum    1 weight  0.10000E+01 volume  0.37328E-02 ppm1      1.542 ppm2      8.011 CV     1
 ASSI { 3176}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
      3.500     1.500     1.500 peak  3176 spectrum    1 weight  0.10000E+01 volume  0.80914E-03 ppm1      1.540 ppm2      4.058 CV     1
 ASSI { 3177}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
      3.800     1.800     1.800 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.75287E-03 ppm1      1.546 ppm2      3.923 CV     1
 ASSI { 3179}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB1 ))
      3.500     1.600     1.600 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.81697E-03 ppm1      1.542 ppm2      3.003 CV     1
 ASSI { 3195}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.800     0.800 peak  3195 spectrum    1 weight  0.10000E+01 volume  0.36152E-02 ppm1      1.838 ppm2      7.827 CV     1
 ASSI { 3196}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.800     1.000     1.000 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.27098E-02 ppm1      4.280 ppm2      7.819 CV     1
 ASSI { 3210}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.800     0.800 peak  3210 spectrum    1 weight  0.10000E+01 volume  0.23738E-02 ppm1      1.895 ppm2      8.168 CV     1
 ASSI { 3216}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak  3216 spectrum    1 weight  0.10000E+01 volume  0.36966E-02 ppm1      1.842 ppm2      4.279 CV     1
 ASSI { 3218}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak  3218 spectrum    1 weight  0.10000E+01 volume  0.45343E-02 ppm1      1.072 ppm2      4.276 CV     1
 ASSI { 3219}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HA  ))
      2.900     1.000     1.000 peak  3219 spectrum    1 weight  0.10000E+01 volume  0.42857E-02 ppm1      1.019 ppm2      4.279 CV     1
 ASSI { 3249}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HB1 ))
      2.900     1.100     1.100 peak  3249 spectrum    1 weight  0.10000E+01 volume  0.37249E-02 ppm1      1.072 ppm2      1.888 CV     1
 ASSI { 3250}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB1 ))
      2.700     0.900     0.900 peak  3250 spectrum    1 weight  0.10000E+01 volume  0.35919E-02 ppm1      1.019 ppm2      1.890 CV     1
 ASSI { 3257}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HD2%)
      2.900     1.100     1.100 peak  3257 spectrum    1 weight  0.10000E+01 volume  0.25863E-02 ppm1      1.897 ppm2      1.042 CV     1
 OR { 3257}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 3258}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
      3.100     1.200     1.200 peak  3258 spectrum    1 weight  0.10000E+01 volume  0.26293E-02 ppm1      1.845 ppm2      1.040 CV     1
 OR { 3258}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 3260}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      3.900     1.900     1.900 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.18008E-02 ppm1      4.258 ppm2      0.372 CV     1
 ASSI { 3264}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.600     1.600     1.600 peak  3264 spectrum    1 weight  0.10000E+01 volume  0.87791E-03 ppm1      4.257 ppm2      8.237 CV     1
 ASSI { 3267}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.900     0.900 peak  3267 spectrum    1 weight  0.10000E+01 volume  0.42968E-02 ppm1      4.258 ppm2      8.942 CV     1
 ASSI { 3269}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     0.900     0.900 peak  3269 spectrum    1 weight  0.10000E+01 volume  0.28424E-02 ppm1      4.193 ppm2      8.943 CV     1
 ASSI { 3270}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.500     1.500 peak  3270 spectrum    1 weight  0.10000E+01 volume  0.10296E-02 ppm1      4.258 ppm2      7.826 CV     1
 ASSI { 3277}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.200     0.600     0.600 peak  3277 spectrum    1 weight  0.10000E+01 volume  0.10127E-01 ppm1      4.258 ppm2      4.358 CV     1
 ASSI { 3289}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name H28A))
      4.800     2.900     1.200 peak  3289 spectrum    1 weight  0.10000E+01 volume  0.50211E-03 ppm1      4.354 ppm2      3.461 CV     1
 ASSI { 3290}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name H28A))
      6.000     4.600     0.000 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.52097E-03 ppm1      4.194 ppm2      3.468 CV     1
 ASSI { 3304}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      3.600     1.600     1.600 peak  3304 spectrum    1 weight  0.10000E+01 volume  0.10689E-02 ppm1      4.256 ppm2      0.238 CV     1
 ASSI { 3306}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HA  ))
      2.900     1.000     1.000 peak  3306 spectrum    1 weight  0.10000E+01 volume  0.29241E-02 ppm1      3.289 ppm2      4.752 CV     1
 ASSI { 3308}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      3.000     1.100     1.100 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.31516E-02 ppm1      2.859 ppm2      4.752 CV     1
 ASSI { 3312}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
      1.800     0.400     0.400 peak  3312 spectrum    1 weight  0.10000E+01 volume  0.16907E-01 ppm1      3.289 ppm2      2.858 CV     1
 ASSI { 3325}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.900     1.000     1.000 peak  3325 spectrum    1 weight  0.10000E+01 volume  0.20053E-02 ppm1      2.859 ppm2      8.013 CV     1
 ASSI { 3326}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      4.100     2.100     1.900 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.37508E-03 ppm1      2.859 ppm2      7.830 CV     1
 ASSI { 3329}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.800     0.800 peak  3329 spectrum    1 weight  0.10000E+01 volume  0.49902E-02 ppm1      3.287 ppm2      8.940 CV     1
 ASSI { 3330}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.000     1.100     1.100 peak  3330 spectrum    1 weight  0.10000E+01 volume  0.35992E-02 ppm1      2.860 ppm2      8.938 CV     1
 ASSI { 3331}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB1 ))
      4.800     2.800     1.200 peak  3331 spectrum    1 weight  0.10000E+01 volume  0.39474E-03 ppm1      6.765 ppm2      2.994 CV     1
 OR { 3331}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 3332}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB2 ))
      4.500     2.500     1.500 peak  3332 spectrum    1 weight  0.10000E+01 volume  0.50836E-03 ppm1      6.766 ppm2      2.817 CV     1
 ASSI { 3363}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HB  ))
      3.900     1.900     1.900 peak  3363 spectrum    1 weight  0.10000E+01 volume  0.33310E-03 ppm1      6.764 ppm2      2.453 CV     1
 ASSI { 3364}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HB1 ))
      4.100     2.100     1.900 peak  3364 spectrum    1 weight  0.10000E+01 volume  0.64646E-03 ppm1      6.767 ppm2      1.994 CV     1
 ASSI { 3365}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HG11))
      3.600     1.600     1.600 peak  3365 spectrum    1 weight  0.10000E+01 volume  0.80285E-03 ppm1      6.763 ppm2      1.839 CV     1
 ASSI { 3367}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
      4.100     2.100     1.900 peak  3367 spectrum    1 weight  0.10000E+01 volume  0.14051E-02 ppm1      6.762 ppm2      1.429 CV     1
 OR { 3367}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 3368}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 26   and name HB2 ))
      3.600     1.600     1.600 peak  3368 spectrum    1 weight  0.10000E+01 volume  0.78261E-03 ppm1      6.765 ppm2      1.263 CV     1
 OR { 3368}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 26   and name HB2 ))
 ASSI { 3370}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      2.500     0.800     0.800 peak  3370 spectrum    1 weight  0.10000E+01 volume  0.26806E-02 ppm1      6.762 ppm2      0.773 CV     1
 ASSI { 3373}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 45   and name HD2%)
      4.400     2.400     1.600 peak  3373 spectrum    1 weight  0.10000E+01 volume  0.51745E-03 ppm1      6.765 ppm2      0.373 CV     1
 ASSI { 3391}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 38   and name HA  ))
      5.300     3.500     0.700 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.31060E-03 ppm1      3.887 ppm2      4.640 CV     1
 ASSI { 3395}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.300     0.700     0.700 peak  3395 spectrum    1 weight  0.10000E+01 volume  0.70922E-02 ppm1      3.886 ppm2      7.734 CV     1
 ASSI { 3399}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     1.000     1.000 peak  3399 spectrum    1 weight  0.10000E+01 volume  0.53946E-02 ppm1      4.267 ppm2      7.735 CV     1
 ASSI { 3400}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.600     1.600     1.600 peak  3400 spectrum    1 weight  0.10000E+01 volume  0.14556E-02 ppm1      4.268 ppm2      8.046 CV     1
 ASSI { 3401}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.000     1.000 peak  3401 spectrum    1 weight  0.10000E+01 volume  0.20972E-02 ppm1      3.885 ppm2      8.042 CV     1
 ASSI { 3402}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak  3402 spectrum    1 weight  0.10000E+01 volume  0.18965E-02 ppm1      1.567 ppm2      9.438 CV     1
 ASSI { 3412}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 40   and name HN  ))
      4.500     2.500     1.500 peak  3412 spectrum    1 weight  0.10000E+01 volume  0.46878E-03 ppm1      1.544 ppm2      8.040 CV     1
 ASSI { 3415}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      4.900     3.000     1.100 peak  3415 spectrum    1 weight  0.10000E+01 volume  0.49473E-03 ppm1      0.889 ppm2      8.039 CV     1
 ASSI { 3422}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.400     1.500     1.500 peak  3422 spectrum    1 weight  0.10000E+01 volume  0.13867E-02 ppm1      0.891 ppm2      7.322 CV     1
 ASSI { 3423}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      2.700     0.900     0.900 peak  3423 spectrum    1 weight  0.10000E+01 volume  0.26161E-02 ppm1      0.891 ppm2      7.143 CV     1
 ASSI { 3427}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 35   and name HD% )
      4.700     2.800     1.300 peak  3427 spectrum    1 weight  0.10000E+01 volume  0.49337E-03 ppm1      1.546 ppm2      7.137 CV     1
 ASSI { 3432}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      2.900     1.100     1.100 peak  3432 spectrum    1 weight  0.10000E+01 volume  0.24327E-02 ppm1      0.890 ppm2      6.982 CV     1
 ASSI { 3433}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
      4.600     2.700     1.400 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.41049E-03 ppm1      0.890 ppm2      6.884 CV     1
 ASSI { 3434}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.000     1.100     1.100 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.15467E-02 ppm1      0.890 ppm2      6.762 CV     1
 ASSI { 3435}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HA  ))
      2.600     0.800     0.800 peak  3435 spectrum    1 weight  0.10000E+01 volume  0.38149E-02 ppm1      2.453 ppm2      4.640 CV     1
 ASSI { 3436}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
      4.600     2.600     1.400 peak  3436 spectrum    1 weight  0.10000E+01 volume  0.77682E-03 ppm1      2.449 ppm2      4.380 CV     1
 ASSI { 3442}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      2.400     0.700     0.700 peak  3442 spectrum    1 weight  0.10000E+01 volume  0.59352E-02 ppm1      1.064 ppm2      4.644 CV     1
 ASSI { 3443}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      4.100     2.100     1.900 peak  3443 spectrum    1 weight  0.10000E+01 volume  0.13395E-02 ppm1      1.063 ppm2      4.368 CV     1
 ASSI { 3446}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
      4.700     2.700     1.300 peak  3446 spectrum    1 weight  0.10000E+01 volume  0.10042E-02 ppm1      0.889 ppm2      4.639 CV     1
 ASSI { 3447}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      2.400     0.700     0.700 peak  3447 spectrum    1 weight  0.10000E+01 volume  0.38104E-02 ppm1      0.890 ppm2      4.382 CV     1
 ASSI { 3452}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HA1 ))
      4.100     2.100     1.900 peak  3452 spectrum    1 weight  0.10000E+01 volume  0.76484E-03 ppm1      1.066 ppm2      4.292 CV     1
 ASSI { 3457}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      4.400     2.400     1.600 peak  3457 spectrum    1 weight  0.10000E+01 volume  0.41990E-03 ppm1      0.891 ppm2      3.583 CV     1
 ASSI { 3464}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.500     1.500     1.500 peak  3464 spectrum    1 weight  0.10000E+01 volume  0.11745E-02 ppm1      0.892 ppm2      2.834 CV     1
 ASSI { 3471}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HB  ))
      3.400     1.400     1.400 peak  3471 spectrum    1 weight  0.10000E+01 volume  0.10465E-02 ppm1      1.548 ppm2      2.456 CV     1
 ASSI { 3473}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak  3473 spectrum    1 weight  0.10000E+01 volume  0.64829E-02 ppm1      0.891 ppm2      2.451 CV     1
 ASSI { 3476}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HG1 ))
      2.800     1.000     1.000 peak  3476 spectrum    1 weight  0.10000E+01 volume  0.17765E-02 ppm1      0.891 ppm2      2.210 CV     1
 ASSI { 3483}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG11))
      2.100     0.500     0.500 peak  3483 spectrum    1 weight  0.10000E+01 volume  0.93246E-02 ppm1      0.890 ppm2      1.833 CV     1
 ASSI { 3485}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG12))
      2.200     0.600     0.600 peak  3485 spectrum    1 weight  0.10000E+01 volume  0.76490E-02 ppm1      0.889 ppm2      1.544 CV     1
 ASSI { 3486}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HG12))
      2.400     0.700     0.700 peak  3486 spectrum    1 weight  0.10000E+01 volume  0.46185E-02 ppm1      1.065 ppm2      1.544 CV     1
 ASSI { 3492}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.900     1.900     1.900 peak  3492 spectrum    1 weight  0.10000E+01 volume  0.44278E-03 ppm1      2.455 ppm2      1.276 CV     1
 ASSI { 3493}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      3.500     1.600     1.600 peak  3493 spectrum    1 weight  0.10000E+01 volume  0.22668E-02 ppm1      0.888 ppm2      1.392 CV     1
 ASSI { 3498}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.100     0.500     0.500 peak  3498 spectrum    1 weight  0.10000E+01 volume  0.13133E-01 ppm1      0.889 ppm2      1.073 CV     1
 ASSI { 3501}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 26   and name HD1%)
      3.600     1.600     1.600 peak  3501 spectrum    1 weight  0.10000E+01 volume  0.64319E-03 ppm1      2.450 ppm2      0.697 CV     1
 ASSI { 3507}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 26   and name HD1%)
      2.500     0.800     0.800 peak  3507 spectrum    1 weight  0.10000E+01 volume  0.43620E-02 ppm1      0.891 ppm2      0.700 CV     1
 ASSI { 3511}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.24096E-02 ppm1      3.092 ppm2      4.819 CV     1
 ASSI { 3512}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak  3512 spectrum    1 weight  0.10000E+01 volume  0.29575E-02 ppm1      3.005 ppm2      4.821 CV     1
 ASSI { 3527}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak  3527 spectrum    1 weight  0.10000E+01 volume  0.27524E-02 ppm1      3.003 ppm2      7.566 CV     1
 ASSI { 3531}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.600     1.600     1.600 peak  3531 spectrum    1 weight  0.10000E+01 volume  0.78331E-03 ppm1      2.999 ppm2      8.471 CV     1
 ASSI { 3542}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
      2.700     0.900     0.900 peak  3542 spectrum    1 weight  0.10000E+01 volume  0.54279E-02 ppm1      4.367 ppm2      2.496 CV     1
 OR { 3542}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 3555}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
      5.000     3.100     1.000 peak  3555 spectrum    1 weight  0.10000E+01 volume  0.32784E-03 ppm1      2.499 ppm2      4.813 CV     1
 OR { 3555}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
 OR { 3555}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 37   and name HA  ))
 OR { 3555}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI { 3564}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.800     0.800 peak  3564 spectrum    1 weight  0.10000E+01 volume  0.41916E-02 ppm1      4.369 ppm2      9.578 CV     1
 ASSI { 3566}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 38   and name HG12))
      5.100     3.300     0.900 peak  3566 spectrum    1 weight  0.10000E+01 volume  0.40105E-03 ppm1      3.112 ppm2      1.545 CV     1
 ASSI { 3567}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 38   and name HG12))
      4.500     2.500     1.500 peak  3567 spectrum    1 weight  0.10000E+01 volume  0.56485E-03 ppm1      3.577 ppm2      1.542 CV     1
 ASSI { 3574}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 35   and name HE% )
      2.300     0.700     0.700 peak  3574 spectrum    1 weight  0.10000E+01 volume  0.53796E-02 ppm1      7.146 ppm2      6.941 CV     1
 ASSI { 3582}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HD1 ))
      2.700     0.900     0.900 peak  3582 spectrum    1 weight  0.10000E+01 volume  0.27554E-02 ppm1      1.960 ppm2      3.451 CV     1
 ASSI { 3585}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HD2 ))
      2.900     1.000     1.000 peak  3585 spectrum    1 weight  0.10000E+01 volume  0.18409E-02 ppm1      1.633 ppm2      3.353 CV     1
 ASSI { 3595}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG2 ))
      2.500     0.800     0.800 peak  3595 spectrum    1 weight  0.10000E+01 volume  0.43085E-02 ppm1      3.450 ppm2      1.740 CV     1
 ASSI { 3596}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.700     0.900     0.900 peak  3596 spectrum    1 weight  0.10000E+01 volume  0.31005E-02 ppm1      3.457 ppm2      1.639 CV     1
 ASSI { 3597}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
      2.900     1.000     1.000 peak  3597 spectrum    1 weight  0.10000E+01 volume  0.37173E-02 ppm1      1.632 ppm2      1.855 CV     1
 ASSI { 3599}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HG1 ))
      1.800     0.400     0.400 peak  3599 spectrum    1 weight  0.10000E+01 volume  0.85139E-02 ppm1      1.632 ppm2      1.946 CV     1
 ASSI { 3602}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.300     0.700     0.700 peak  3602 spectrum    1 weight  0.10000E+01 volume  0.57790E-02 ppm1      1.984 ppm2      2.205 CV     1
 ASSI { 3603}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.500     0.800     0.800 peak  3603 spectrum    1 weight  0.10000E+01 volume  0.29449E-02 ppm1      1.632 ppm2      2.191 CV     1
 ASSI { 3614}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.400     1.400     1.400 peak  3614 spectrum    1 weight  0.10000E+01 volume  0.96032E-03 ppm1      3.450 ppm2      4.239 CV     1
 ASSI { 3621}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HA  ))
      3.600     1.600     1.600 peak  3621 spectrum    1 weight  0.10000E+01 volume  0.79212E-03 ppm1      2.200 ppm2      4.733 CV     1
 ASSI { 3622}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HA  ))
      3.200     1.300     1.300 peak  3622 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      1.946 ppm2      4.732 CV     1
 ASSI { 3623}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.300     1.400     1.400 peak  3623 spectrum    1 weight  0.10000E+01 volume  0.11713E-02 ppm1      1.634 ppm2      4.730 CV     1
 ASSI { 3624}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HA  ))
      4.500     2.500     1.500 peak  3624 spectrum    1 weight  0.10000E+01 volume  0.42515E-03 ppm1      3.465 ppm2      4.731 CV     1
 ASSI { 3639}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      4.600     2.600     1.400 peak  3639 spectrum    1 weight  0.10000E+01 volume  0.49289E-03 ppm1      1.862 ppm2      7.560 CV     1
 ASSI { 3641}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HE  ))
      3.100     1.200     1.200 peak  3641 spectrum    1 weight  0.10000E+01 volume  0.14106E-02 ppm1      3.453 ppm2      7.577 CV     1
 ASSI { 3647}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HE  ))
      3.000     1.100     1.100 peak  3647 spectrum    1 weight  0.10000E+01 volume  0.18279E-02 ppm1      3.460 ppm2      8.003 CV     1
 ASSI { 3653}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.900     1.900     1.900 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.41366E-03 ppm1      2.190 ppm2      9.579 CV     1
 ASSI { 3662}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD2%)
      2.700     0.900     0.900 peak  3662 spectrum    1 weight  0.10000E+01 volume  0.32692E-02 ppm1      1.784 ppm2      1.071 CV     1
 ASSI { 3663}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD1%)
      2.800     0.900     0.900 peak  3663 spectrum    1 weight  0.10000E+01 volume  0.27990E-02 ppm1      1.792 ppm2      0.965 CV     1
 ASSI { 3665}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 26   and name HD1%)
      4.100     2.100     1.900 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.94572E-03 ppm1      1.068 ppm2      0.689 CV     1
 ASSI { 3667}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
      4.300     2.300     1.700 peak  3667 spectrum    1 weight  0.10000E+01 volume  0.10806E-02 ppm1      1.792 ppm2      0.888 CV     1
 ASSI { 3671}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 33   and name HD1%)
      2.300     0.700     0.700 peak  3671 spectrum    1 weight  0.10000E+01 volume  0.10602E-01 ppm1      1.068 ppm2      0.966 CV     1
 ASSI { 3674}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
      1.700     0.300     0.500 peak  3674 spectrum    1 weight  0.10000E+01 volume  0.11673E-01 ppm1      1.792 ppm2      1.419 CV     1
 ASSI { 3677}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.000     1.100     1.100 peak  3677 spectrum    1 weight  0.10000E+01 volume  0.18842E-02 ppm1      1.783 ppm2      1.423 CV     1
 ASSI { 3678}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB2 ))
      2.800     1.000     1.000 peak  3678 spectrum    1 weight  0.10000E+01 volume  0.29388E-02 ppm1      1.068 ppm2      1.423 CV     1
 ASSI { 3680}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
      2.600     0.800     0.800 peak  3680 spectrum    1 weight  0.10000E+01 volume  0.46714E-02 ppm1      0.963 ppm2      1.421 CV     1
 ASSI { 3682}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
      1.700     0.400     0.500 peak  3682 spectrum    1 weight  0.10000E+01 volume  0.11093E-01 ppm1      1.420 ppm2      1.791 CV     1
 OR { 3682}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 3684}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HG  ))
      2.400     0.700     0.700 peak  3684 spectrum    1 weight  0.10000E+01 volume  0.78782E-02 ppm1      1.067 ppm2      1.789 CV     1
 OR { 3684}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 3685}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG  ))
      2.200     0.600     0.600 peak  3685 spectrum    1 weight  0.10000E+01 volume  0.11992E-01 ppm1      0.962 ppm2      1.782 CV     1
 OR { 3685}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 3695}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB1 ))
      5.100     3.200     0.900 peak  3695 spectrum    1 weight  0.10000E+01 volume  0.45038E-03 ppm1      1.424 ppm2      3.036 CV     1
 ASSI { 3702}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
      3.600     1.600     1.600 peak  3702 spectrum    1 weight  0.10000E+01 volume  0.19293E-02 ppm1      1.070 ppm2      3.304 CV     1
 ASSI { 3708}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
      4.000     2.000     2.000 peak  3708 spectrum    1 weight  0.10000E+01 volume  0.78374E-03 ppm1      1.070 ppm2      4.353 CV     1
 ASSI { 3709}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak  3709 spectrum    1 weight  0.10000E+01 volume  0.23124E-02 ppm1      1.790 ppm2      4.330 CV     1
 ASSI { 3710}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      4.800     2.900     1.200 peak  3710 spectrum    1 weight  0.10000E+01 volume  0.68270E-03 ppm1      1.788 ppm2      4.751 CV     1
 ASSI { 3711}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 30   and name HA  ))
      4.000     2.000     2.000 peak  3711 spectrum    1 weight  0.10000E+01 volume  0.13415E-02 ppm1      1.790 ppm2      4.752 CV     1
 ASSI { 3713}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HA  ))
      3.200     1.200     1.200 peak  3713 spectrum    1 weight  0.10000E+01 volume  0.23220E-02 ppm1      1.069 ppm2      4.752 CV     1
 ASSI { 3718}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      2.300     0.600     0.600 peak  3718 spectrum    1 weight  0.10000E+01 volume  0.86631E-02 ppm1      1.422 ppm2      4.857 CV     1
 ASSI { 3720}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.300     1.400     1.400 peak  3720 spectrum    1 weight  0.10000E+01 volume  0.33672E-02 ppm1      1.793 ppm2      7.224 CV     1
 ASSI { 3722}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HN  ))
      3.200     1.300     1.300 peak  3722 spectrum    1 weight  0.10000E+01 volume  0.21203E-02 ppm1      1.789 ppm2      7.224 CV     1
 ASSI { 3723}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      4.300     2.300     1.700 peak  3723 spectrum    1 weight  0.10000E+01 volume  0.58257E-03 ppm1      1.070 ppm2      7.323 CV     1
 ASSI { 3724}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
      3.700     1.700     1.700 peak  3724 spectrum    1 weight  0.10000E+01 volume  0.11275E-02 ppm1      1.065 ppm2      7.224 CV     1
 ASSI { 3735}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.100     1.200     1.200 peak  3735 spectrum    1 weight  0.10000E+01 volume  0.11723E-02 ppm1      1.789 ppm2      8.473 CV     1
 ASSI { 3739}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      2.600     2.600     3.400 peak  3739 spectrum    1 weight  0.10000E+01 volume  0.18768E-02 ppm1      0.962 ppm2      8.464 CV     1
 ASSI { 3740}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak  3740 spectrum    1 weight  0.10000E+01 volume  0.36747E-02 ppm1      5.045 ppm2      2.363 CV     1
 ASSI { 3741}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      2.800     1.000     1.000 peak  3741 spectrum    1 weight  0.10000E+01 volume  0.18685E-02 ppm1      3.041 ppm2      0.636 CV     1
 OR { 3741}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 3742}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
      4.900     3.000     1.100 peak  3742 spectrum    1 weight  0.10000E+01 volume  0.58611E-03 ppm1      2.339 ppm2      0.625 CV     1
 OR { 3742}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 3756}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      2.800     1.000     1.000 peak  3756 spectrum    1 weight  0.10000E+01 volume  0.45423E-02 ppm1      3.044 ppm2      5.055 CV     1
 ASSI { 3767}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
      3.200     1.300     1.300 peak  3767 spectrum    1 weight  0.10000E+01 volume  0.29505E-02 ppm1      3.040 ppm2      7.899 CV     1
 ASSI { 3769}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.300     0.700     0.700 peak  3769 spectrum    1 weight  0.10000E+01 volume  0.42128E-02 ppm1      2.343 ppm2      8.071 CV     1
 ASSI { 3770}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.600     0.800     0.800 peak  3770 spectrum    1 weight  0.10000E+01 volume  0.43319E-02 ppm1      2.367 ppm2      8.069 CV     1
 ASSI { 3771}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.400     1.400     1.400 peak  3771 spectrum    1 weight  0.10000E+01 volume  0.24691E-02 ppm1      3.043 ppm2      9.059 CV     1
 ASSI { 3776}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak  3776 spectrum    1 weight  0.10000E+01 volume  0.15854E-02 ppm1      3.320 ppm2      7.528 CV     1
 ASSI { 3779}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      4.600     2.600     1.400 peak  3779 spectrum    1 weight  0.10000E+01 volume  0.85499E-03 ppm1      0.791 ppm2      7.526 CV     1
 ASSI { 3786}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      4.700     2.700     1.300 peak  3786 spectrum    1 weight  0.10000E+01 volume  0.60952E-03 ppm1      1.042 ppm2      9.018 CV     1
 ASSI { 3789}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      3.100     1.200     1.200 peak  3789 spectrum    1 weight  0.10000E+01 volume  0.12324E-02 ppm1      0.468 ppm2      9.011 CV     1
 ASSI { 3795}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.400     1.500     1.500 peak  3795 spectrum    1 weight  0.10000E+01 volume  0.72366E-03 ppm1      3.319 ppm2      8.069 CV     1
 ASSI { 3796}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.200     1.200     1.200 peak  3796 spectrum    1 weight  0.10000E+01 volume  0.10849E-02 ppm1      3.320 ppm2      7.322 CV     1
 ASSI { 3798}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      4.100     2.100     1.900 peak  3798 spectrum    1 weight  0.10000E+01 volume  0.49516E-03 ppm1      0.791 ppm2      7.328 CV     1
 OR { 3798}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 3801}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.400     1.500     1.500 peak  3801 spectrum    1 weight  0.10000E+01 volume  0.19767E-02 ppm1      0.470 ppm2      7.335 CV     1
 ASSI { 3807}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH22))
      3.100     1.200     1.200 peak  3807 spectrum    1 weight  0.10000E+01 volume  0.20824E-02 ppm1      0.791 ppm2      6.911 CV     1
 OR { 3807}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH21))
 OR { 3807}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH12))
 ASSI { 3809}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH22))
      4.400     2.400     1.600 peak  3809 spectrum    1 weight  0.10000E+01 volume  0.57522E-03 ppm1      0.470 ppm2      6.908 CV     1
 OR { 3809}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH21))
 OR { 3809}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH11))
 OR { 3809}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH12))
 ASSI { 3815}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 7    and name HB  ))
      4.800     2.900     1.200 peak  3815 spectrum    1 weight  0.10000E+01 volume  0.38644E-03 ppm1      0.792 ppm2      4.330 CV     1
 ASSI { 3825}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      3.900     1.900     1.900 peak  3825 spectrum    1 weight  0.10000E+01 volume  0.10142E-02 ppm1      0.792 ppm2      3.616 CV     1
 ASSI { 3826}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HD1 ))
      4.500     2.600     1.500 peak  3826 spectrum    1 weight  0.10000E+01 volume  0.42349E-03 ppm1      0.793 ppm2      3.509 CV     1
 ASSI { 3832}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak  3832 spectrum    1 weight  0.10000E+01 volume  0.17577E-02 ppm1      1.639 ppm2      3.320 CV     1
 ASSI { 3835}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      4.100     2.100     1.900 peak  3835 spectrum    1 weight  0.10000E+01 volume  0.89343E-03 ppm1      0.791 ppm2      3.323 CV     1
 ASSI { 3837}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
      2.200     0.600     0.600 peak  3837 spectrum    1 weight  0.10000E+01 volume  0.75394E-02 ppm1      0.471 ppm2      3.319 CV     1
 ASSI { 3842}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
      3.800     1.800     1.800 peak  3842 spectrum    1 weight  0.10000E+01 volume  0.25159E-02 ppm1      0.471 ppm2      2.253 CV     1
 ASSI { 3843}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
      2.400     0.700     0.700 peak  3843 spectrum    1 weight  0.10000E+01 volume  0.33176E-02 ppm1      0.471 ppm2      2.032 CV     1
 ASSI { 3845}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.300     1.400     1.400 peak  3845 spectrum    1 weight  0.10000E+01 volume  0.33801E-02 ppm1      3.321 ppm2      2.252 CV     1
 ASSI { 3849}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      4.000     2.000     2.000 peak  3849 spectrum    1 weight  0.10000E+01 volume  0.14674E-02 ppm1      0.470 ppm2      1.883 CV     1
 ASSI { 3859}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.000     1.100     1.100 peak  3859 spectrum    1 weight  0.10000E+01 volume  0.73612E-03 ppm1      3.318 ppm2      1.370 CV     1
 ASSI { 3860}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      3.200     1.300     1.300 peak  3860 spectrum    1 weight  0.10000E+01 volume  0.14124E-02 ppm1      3.321 ppm2      1.211 CV     1
 ASSI { 3861}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      1.800     0.400     0.400 peak  3861 spectrum    1 weight  0.10000E+01 volume  0.89643E-02 ppm1      1.642 ppm2      1.045 CV     1
 ASSI { 3862}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HG  ))
      2.500     0.800     0.800 peak  3862 spectrum    1 weight  0.10000E+01 volume  0.30708E-02 ppm1      1.641 ppm2      1.217 CV     1
 ASSI { 3865}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.200     1.300     1.300 peak  3865 spectrum    1 weight  0.10000E+01 volume  0.17500E-02 ppm1      1.218 ppm2      1.043 CV     1
 ASSI { 3869}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HG  ))
      2.600     0.800     0.800 peak  3869 spectrum    1 weight  0.10000E+01 volume  0.34694E-02 ppm1      0.791 ppm2      1.209 CV     1
 ASSI { 3871}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
      2.900     1.000     1.000 peak  3871 spectrum    1 weight  0.10000E+01 volume  0.45278E-02 ppm1      0.471 ppm2      1.392 CV     1
 ASSI { 3872}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HG  ))
      2.300     0.700     0.700 peak  3872 spectrum    1 weight  0.10000E+01 volume  0.54800E-02 ppm1      0.472 ppm2      1.205 CV     1
 ASSI { 3873}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
      2.400     0.700     0.700 peak  3873 spectrum    1 weight  0.10000E+01 volume  0.51867E-02 ppm1      0.468 ppm2      1.153 CV     1
 ASSI { 3882}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
      2.200     0.600     0.600 peak  3882 spectrum    1 weight  0.10000E+01 volume  0.13501E-01 ppm1      0.470 ppm2      0.798 CV     1
 ASSI { 3884}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      3.400     1.400     1.400 peak  3884 spectrum    1 weight  0.10000E+01 volume  0.21350E-02 ppm1      1.640 ppm2      0.470 CV     1
 ASSI { 3886}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
      2.900     1.100     1.100 peak  3886 spectrum    1 weight  0.10000E+01 volume  0.17163E-02 ppm1      1.048 ppm2      0.468 CV     1
 ASSI { 3913}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      2.700     0.900     0.900 peak  3913 spectrum    1 weight  0.10000E+01 volume  0.33746E-02 ppm1      2.896 ppm2      4.849 CV     1
 ASSI { 3914}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak  3914 spectrum    1 weight  0.10000E+01 volume  0.36002E-02 ppm1      2.675 ppm2      4.850 CV     1
 ASSI { 3917}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 29   and name HB2 ))
      4.900     3.000     1.100 peak  3917 spectrum    1 weight  0.10000E+01 volume  0.32292E-03 ppm1      3.894 ppm2      2.666 CV     1
 ASSI { 3918}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 29   and name HB1 ))
      5.200     3.400     0.800 peak  3918 spectrum    1 weight  0.10000E+01 volume  0.39185E-03 ppm1      3.883 ppm2      2.901 CV     1
 ASSI { 3923}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 29   and name HA  ))
      4.800     2.800     1.200 peak  3923 spectrum    1 weight  0.10000E+01 volume  0.55557E-03 ppm1      4.282 ppm2      4.857 CV     1
 ASSI { 3926}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak  3926 spectrum    1 weight  0.10000E+01 volume  0.35175E-02 ppm1      4.273 ppm2      8.674 CV     1
 ASSI { 3930}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      2.900     1.100     1.100 peak  3930 spectrum    1 weight  0.10000E+01 volume  0.23324E-02 ppm1      4.044 ppm2      8.259 CV     1
 ASSI { 3933}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.200     0.600     0.600 peak  3933 spectrum    1 weight  0.10000E+01 volume  0.93842E-02 ppm1      3.985 ppm2      4.310 CV     1
 ASSI { 3935}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.400     0.700     0.700 peak  3935 spectrum    1 weight  0.10000E+01 volume  0.44372E-02 ppm1      4.315 ppm2      8.568 CV     1
 ASSI { 3937}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak  3937 spectrum    1 weight  0.10000E+01 volume  0.12198E-02 ppm1      3.985 ppm2      8.571 CV     1
 ASSI { 3938}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak  3938 spectrum    1 weight  0.10000E+01 volume  0.26011E-02 ppm1      4.315 ppm2      8.259 CV     1
 ASSI { 3942}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.100     0.600     0.600 peak  3942 spectrum    1 weight  0.10000E+01 volume  0.13932E-01 ppm1      4.313 ppm2      4.029 CV     1
 ASSI { 3943}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
      3.500     1.500     1.500 peak  3943 spectrum    1 weight  0.10000E+01 volume  0.16271E-02 ppm1      4.312 ppm2      3.204 CV     1
 OR { 3943}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 3958}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.000     1.100     1.100 peak  3958 spectrum    1 weight  0.10000E+01 volume  0.25195E-02 ppm1      0.701 ppm2      7.322 CV     1
 ASSI { 3961}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.700     1.700     1.700 peak  3961 spectrum    1 weight  0.10000E+01 volume  0.78186E-03 ppm1      0.808 ppm2      7.324 CV     1
 ASSI { 3964}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      4.800     2.800     1.200 peak  3964 spectrum    1 weight  0.10000E+01 volume  0.31218E-03 ppm1      1.458 ppm2      7.323 CV     1
 ASSI { 3965}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      4.300     2.300     1.700 peak  3965 spectrum    1 weight  0.10000E+01 volume  0.47512E-03 ppm1      1.250 ppm2      7.327 CV     1
 ASSI { 3970}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      4.200     2.200     1.800 peak  3970 spectrum    1 weight  0.10000E+01 volume  0.47807E-03 ppm1      0.701 ppm2      6.989 CV     1
 ASSI { 3972}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.500     1.500     1.500 peak  3972 spectrum    1 weight  0.10000E+01 volume  0.68297E-03 ppm1      0.699 ppm2      6.762 CV     1
 ASSI { 3973}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 40   and name HD% )
      4.700     2.700     1.300 peak  3973 spectrum    1 weight  0.10000E+01 volume  0.28395E-03 ppm1      0.809 ppm2      6.978 CV     1
 ASSI { 3993}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      4.300     2.300     1.700 peak  3993 spectrum    1 weight  0.10000E+01 volume  0.38159E-03 ppm1      0.699 ppm2      3.548 CV     1
 ASSI { 3995}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      2.700     0.900     0.900 peak  3995 spectrum    1 weight  0.10000E+01 volume  0.24499E-02 ppm1      0.700 ppm2      3.304 CV     1
 ASSI { 3998}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
      3.100     1.200     1.200 peak  3998 spectrum    1 weight  0.10000E+01 volume  0.16579E-02 ppm1      0.701 ppm2      3.025 CV     1
 ASSI { 4012}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      3.100     1.200     1.200 peak  4012 spectrum    1 weight  0.10000E+01 volume  0.13380E-02 ppm1      0.809 ppm2      1.998 CV     1
 ASSI { 4016}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG  ))
      3.200     1.300     1.300 peak  4016 spectrum    1 weight  0.10000E+01 volume  0.17081E-02 ppm1      4.380 ppm2      1.583 CV     1
 ASSI { 4017}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.800     1.000     1.000 peak  4017 spectrum    1 weight  0.10000E+01 volume  0.35136E-02 ppm1      4.372 ppm2      1.447 CV     1
 ASSI { 4021}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HG  ))
      2.300     0.700     0.700 peak  4021 spectrum    1 weight  0.10000E+01 volume  0.78686E-02 ppm1      0.805 ppm2      1.593 CV     1
 ASSI { 4022}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB1 ))
      2.600     0.800     0.800 peak  4022 spectrum    1 weight  0.10000E+01 volume  0.39924E-02 ppm1      0.805 ppm2      1.443 CV     1
 ASSI { 4023}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HG  ))
      2.300     0.700     0.700 peak  4023 spectrum    1 weight  0.10000E+01 volume  0.66332E-02 ppm1      0.699 ppm2      1.584 CV     1
 ASSI { 4026}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      2.300     0.700     0.700 peak  4026 spectrum    1 weight  0.10000E+01 volume  0.64506E-02 ppm1      0.699 ppm2      1.266 CV     1
 ASSI { 4027}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB2 ))
      3.300     1.400     1.400 peak  4027 spectrum    1 weight  0.10000E+01 volume  0.36657E-02 ppm1      0.803 ppm2      1.233 CV     1
 ASSI { 4028}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.900     1.100     1.100 peak  4028 spectrum    1 weight  0.10000E+01 volume  0.16881E-02 ppm1      1.593 ppm2      1.258 CV     1
 ASSI { 4029}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      1.800     0.400     0.400 peak  4029 spectrum    1 weight  0.10000E+01 volume  0.11018E-01 ppm1      1.459 ppm2      1.252 CV     1
 ASSI { 4030}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.500     0.800     0.800 peak  4030 spectrum    1 weight  0.10000E+01 volume  0.45849E-02 ppm1      4.376 ppm2      1.244 CV     1
 ASSI { 4034}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.900     1.900     1.900 peak  4034 spectrum    1 weight  0.10000E+01 volume  0.80817E-03 ppm1      4.379 ppm2      0.809 CV     1
 ASSI { 4043}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HD1%)
      3.100     1.200     1.200 peak  4043 spectrum    1 weight  0.10000E+01 volume  0.80012E-02 ppm1      4.378 ppm2      0.699 CV     1
 ASSI { 4044}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 26   and name HD1%)
      3.200     1.300     1.300 peak  4044 spectrum    1 weight  0.10000E+01 volume  0.19384E-02 ppm1      1.459 ppm2      0.701 CV     1
 ASSI { 4047}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 26   and name HD1%)
      2.400     0.700     0.700 peak  4047 spectrum    1 weight  0.10000E+01 volume  0.82793E-02 ppm1      0.809 ppm2      0.706 CV     1
 ASSI { 4049}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak  4049 spectrum    1 weight  0.10000E+01 volume  0.25675E-02 ppm1      2.891 ppm2      8.616 CV     1
 ASSI { 4050}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      3.000     1.100     1.100 peak  4050 spectrum    1 weight  0.10000E+01 volume  0.27946E-02 ppm1      2.882 ppm2      4.718 CV     1
 ASSI { 4054}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      3.100     1.200     1.200 peak  4054 spectrum    1 weight  0.10000E+01 volume  0.21801E-02 ppm1      1.278 ppm2      8.142 CV     1
 ASSI { 4055}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.700     0.700 peak  4055 spectrum    1 weight  0.10000E+01 volume  0.98507E-02 ppm1      4.341 ppm2      8.614 CV     1
 ASSI { 4058}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
      3.900     1.900     1.900 peak  4058 spectrum    1 weight  0.10000E+01 volume  0.14719E-02 ppm1      4.229 ppm2      8.608 CV     1
 ASSI { 4059}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      2.600     2.600     3.400 peak  4059 spectrum    1 weight  0.10000E+01 volume  0.18977E-02 ppm1      1.279 ppm2      8.614 CV     1
 ASSI { 4063}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak  4063 spectrum    1 weight  0.10000E+01 volume  0.31298E-02 ppm1      4.227 ppm2      8.142 CV     1
 ASSI { 4070}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HB  ))
      2.400     0.700     0.700 peak  4070 spectrum    1 weight  0.10000E+01 volume  0.71341E-02 ppm1      1.280 ppm2      4.230 CV     1
 ASSI { 4073}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HA  ))
      2.600     0.800     0.800 peak  4073 spectrum    1 weight  0.10000E+01 volume  0.49742E-02 ppm1      4.228 ppm2      4.342 CV     1
 ASSI { 4078}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
      2.800     1.000     1.000 peak  4078 spectrum    1 weight  0.10000E+01 volume  0.49107E-02 ppm1      4.341 ppm2      1.276 CV     1
 ASSI { 4083}
   (( segid "    " and resid 19   and name HA1 ))
   (  segid "    " and resid 18   and name HB% )
      3.900     1.900     1.900 peak  4083 spectrum    1 weight  0.10000E+01 volume  0.12253E-02 ppm1      4.090 ppm2      1.551 CV     1
 OR { 4083}
   (( segid "    " and resid 19   and name HA1 ))
   (  segid "    " and resid 18   and name HB% )
 OR { 4083}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 18   and name HB% )
 OR { 4083}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 4086}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 24   and name HG2%)
      4.000     2.000     2.000 peak  4086 spectrum    1 weight  0.10000E+01 volume  0.75201E-03 ppm1      4.086 ppm2      1.267 CV     1
 OR { 4086}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 24   and name HG2%)
 OR { 4086}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 24   and name HG2%)
 OR { 4086}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 24   and name HG2%)
 ASSI { 4103}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  4103 spectrum    1 weight  0.10000E+01 volume  0.46848E-02 ppm1      4.084 ppm2      8.140 CV     1
 OR { 4103}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 4105}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak  4105 spectrum    1 weight  0.10000E+01 volume  0.67980E-02 ppm1      4.074 ppm2      8.251 CV     1
 OR { 4105}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
 OR { 4105}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
 OR { 4105}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 4112}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.600     0.900     0.900 peak  4112 spectrum    1 weight  0.10000E+01 volume  0.56383E-02 ppm1      2.839 ppm2      4.730 CV     1
 OR { 4112}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 4121}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      2.600     0.900     0.900 peak  4121 spectrum    1 weight  0.10000E+01 volume  0.52606E-02 ppm1      4.525 ppm2      1.252 CV     1
 ASSI { 4123}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 21   and name HG2%)
      2.400     0.700     0.700 peak  4123 spectrum    1 weight  0.10000E+01 volume  0.90948E-02 ppm1      4.383 ppm2      1.252 CV     1
 ASSI { 4129}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
      2.500     0.800     0.800 peak  4129 spectrum    1 weight  0.10000E+01 volume  0.67674E-02 ppm1      4.525 ppm2      4.395 CV     1
 ASSI { 4139}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.300     1.300 peak  4139 spectrum    1 weight  0.10000E+01 volume  0.18250E-02 ppm1      4.382 ppm2      8.253 CV     1
 ASSI { 4140}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.900     1.100     1.100 peak  4140 spectrum    1 weight  0.10000E+01 volume  0.22528E-02 ppm1      4.527 ppm2      8.250 CV     1
 ASSI { 4141}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak  4141 spectrum    1 weight  0.10000E+01 volume  0.83593E-02 ppm1      4.526 ppm2      8.496 CV     1
 ASSI { 4144}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.200     1.200 peak  4144 spectrum    1 weight  0.10000E+01 volume  0.19786E-02 ppm1      2.236 ppm2      8.498 CV     1
 ASSI { 4146}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.800     1.800     1.800 peak  4146 spectrum    1 weight  0.10000E+01 volume  0.11831E-02 ppm1      2.410 ppm2      8.504 CV     1
 OR { 4146}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 4148}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 21   and name HN  ))
      4.500     2.500     1.500 peak  4148 spectrum    1 weight  0.10000E+01 volume  0.35669E-03 ppm1      2.410 ppm2      8.248 CV     1
 OR { 4148}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 4150}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak  4150 spectrum    1 weight  0.10000E+01 volume  0.27496E-02 ppm1      2.247 ppm2      4.477 CV     1
 ASSI { 4156}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.400     0.700     0.700 peak  4156 spectrum    1 weight  0.10000E+01 volume  0.93579E-02 ppm1      2.080 ppm2      2.403 CV     1
 OR { 4156}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 4163}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HB1 ))
      2.500     0.800     0.800 peak  4163 spectrum    1 weight  0.10000E+01 volume  0.73381E-02 ppm1      2.406 ppm2      2.236 CV     1
 OR { 4163}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI { 4177}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.600     1.600 peak  4177 spectrum    1 weight  0.10000E+01 volume  0.12052E-02 ppm1      1.548 ppm2      8.501 CV     1
 ASSI { 4190}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.100     1.100 peak  4190 spectrum    1 weight  0.10000E+01 volume  0.26649E-02 ppm1      1.548 ppm2      3.947 CV     1
 ASSI { 4194}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HB% )
      2.300     0.600     0.600 peak  4194 spectrum    1 weight  0.10000E+01 volume  0.10454E-01 ppm1      4.376 ppm2      1.544 CV     1
 ASSI { 4212}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 40   and name HE% )
      4.100     2.100     1.900 peak  4212 spectrum    1 weight  0.10000E+01 volume  0.47632E-03 ppm1      4.144 ppm2      6.762 CV     1
 ASSI { 4213}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      3.800     1.800     1.800 peak  4213 spectrum    1 weight  0.10000E+01 volume  0.46390E-03 ppm1      4.067 ppm2      6.760 CV     1
 ASSI { 4214}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak  4214 spectrum    1 weight  0.10000E+01 volume  0.50122E-02 ppm1      4.147 ppm2      4.572 CV     1
 ASSI { 4215}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.600     0.800     0.800 peak  4215 spectrum    1 weight  0.10000E+01 volume  0.46307E-02 ppm1      4.065 ppm2      4.573 CV     1
 ASSI { 4226}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      5.100     3.200     0.900 peak  4226 spectrum    1 weight  0.10000E+01 volume  0.44388E-03 ppm1      4.069 ppm2      2.218 CV     1
 ASSI { 4227}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.700     2.700     1.300 peak  4227 spectrum    1 weight  0.10000E+01 volume  0.78793E-03 ppm1      4.146 ppm2      2.214 CV     1
 ASSI { 4250}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      4.000     2.000     2.000 peak  4250 spectrum    1 weight  0.10000E+01 volume  0.12071E-02 ppm1      3.103 ppm2      4.496 CV     1
 ASSI { 4261}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak  4261 spectrum    1 weight  0.10000E+01 volume  0.69822E-02 ppm1      4.213 ppm2      2.148 CV     1
 ASSI { 4263}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak  4263 spectrum    1 weight  0.10000E+01 volume  0.15806E-02 ppm1      2.401 ppm2      8.243 CV     1
 ASSI { 4270}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.900     1.100     1.100 peak  4270 spectrum    1 weight  0.10000E+01 volume  0.49351E-02 ppm1      4.214 ppm2      2.398 CV     1
 ASSI { 4271}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.400     0.700     0.700 peak  4271 spectrum    1 weight  0.10000E+01 volume  0.61199E-02 ppm1      2.149 ppm2      2.394 CV     1
 ASSI { 4273}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.600     0.800     0.800 peak  4273 spectrum    1 weight  0.10000E+01 volume  0.56346E-02 ppm1      2.398 ppm2      2.264 CV     1
 ASSI { 4281}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 28   and name HN  ))
      4.300     2.300     1.700 peak  4281 spectrum    1 weight  0.10000E+01 volume  0.11742E-02 ppm1      2.289 ppm2      8.570 CV     1
 ASSI { 4290}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak  4290 spectrum    1 weight  0.10000E+01 volume  0.40629E-02 ppm1      2.283 ppm2      3.944 CV     1
 ASSI { 4291}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak  4291 spectrum    1 weight  0.10000E+01 volume  0.68968E-02 ppm1      1.048 ppm2      3.946 CV     1
 ASSI { 4293}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak  4293 spectrum    1 weight  0.10000E+01 volume  0.11781E-01 ppm1      1.048 ppm2      2.283 CV     1
 ASSI { 4295}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.200     2.200     1.800 peak  4295 spectrum    1 weight  0.10000E+01 volume  0.33855E-03 ppm1      3.944 ppm2      2.006 CV     1
 ASSI { 4308}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.500     1.500     1.500 peak  4308 spectrum    1 weight  0.10000E+01 volume  0.89842E-03 ppm1      3.950 ppm2      0.807 CV     1
 ASSI { 4309}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 26   and name HD2%)
      2.800     1.000     1.000 peak  4309 spectrum    1 weight  0.10000E+01 volume  0.33268E-02 ppm1      1.125 ppm2      0.805 CV     1
 ASSI { 4310}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.800     1.000     1.000 peak  4310 spectrum    1 weight  0.10000E+01 volume  0.19728E-02 ppm1      4.401 ppm2      8.417 CV     1
 ASSI { 4315}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak  4315 spectrum    1 weight  0.10000E+01 volume  0.16999E-02 ppm1      0.905 ppm2      8.404 CV     1
 ASSI { 4323}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.200     1.300     1.300 peak  4323 spectrum    1 weight  0.10000E+01 volume  0.16932E-02 ppm1      0.905 ppm2      7.333 CV     1
 OR { 4323}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 4324}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.800     1.000     1.000 peak  4324 spectrum    1 weight  0.10000E+01 volume  0.22691E-02 ppm1      0.906 ppm2      7.221 CV     1
 ASSI { 4325}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      4.500     2.600     1.500 peak  4325 spectrum    1 weight  0.10000E+01 volume  0.30157E-03 ppm1      0.764 ppm2      7.331 CV     1
 OR { 4325}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 4326}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      3.400     1.400     1.400 peak  4326 spectrum    1 weight  0.10000E+01 volume  0.63486E-03 ppm1      0.763 ppm2      7.154 CV     1
 ASSI { 4327}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      2.500     0.800     0.800 peak  4327 spectrum    1 weight  0.10000E+01 volume  0.34864E-02 ppm1      0.764 ppm2      6.952 CV     1
 ASSI { 4328}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.300     1.300     1.300 peak  4328 spectrum    1 weight  0.10000E+01 volume  0.14551E-02 ppm1      0.906 ppm2      6.943 CV     1
 ASSI { 4329}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      5.000     3.100     1.000 peak  4329 spectrum    1 weight  0.10000E+01 volume  0.49245E-03 ppm1      0.903 ppm2      6.766 CV     1
 ASSI { 4346}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.600     1.600 peak  4346 spectrum    1 weight  0.10000E+01 volume  0.11087E-02 ppm1      2.001 ppm2      3.539 CV     1
 ASSI { 4347}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.300     1.400     1.400 peak  4347 spectrum    1 weight  0.10000E+01 volume  0.54681E-03 ppm1      1.448 ppm2      3.543 CV     1
 ASSI { 4362}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.800     1.000     1.000 peak  4362 spectrum    1 weight  0.10000E+01 volume  0.19822E-02 ppm1      4.401 ppm2      1.988 CV     1
 ASSI { 4366}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      1.700     0.400     0.500 peak  4366 spectrum    1 weight  0.10000E+01 volume  0.11250E-01 ppm1      1.446 ppm2      1.996 CV     1
 ASSI { 4369}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      2.900     1.100     1.100 peak  4369 spectrum    1 weight  0.10000E+01 volume  0.45309E-02 ppm1      0.906 ppm2      1.992 CV     1
 ASSI { 4371}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB1 ))
      2.700     0.900     0.900 peak  4371 spectrum    1 weight  0.10000E+01 volume  0.31972E-02 ppm1      0.765 ppm2      1.994 CV     1
 ASSI { 4372}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG  ))
      2.300     0.700     0.700 peak  4372 spectrum    1 weight  0.10000E+01 volume  0.57178E-02 ppm1      0.765 ppm2      1.885 CV     1
 ASSI { 4376}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.600     0.900     0.900 peak  4376 spectrum    1 weight  0.10000E+01 volume  0.36317E-02 ppm1      4.397 ppm2      1.443 CV     1
 ASSI { 4381}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
      2.600     0.800     0.800 peak  4381 spectrum    1 weight  0.10000E+01 volume  0.34976E-02 ppm1      0.905 ppm2      1.432 CV     1
 ASSI { 4384}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      2.900     1.100     1.100 peak  4384 spectrum    1 weight  0.10000E+01 volume  0.41150E-02 ppm1      0.764 ppm2      1.440 CV     1
 ASSI { 4390}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD2%)
      2.000     0.500     0.500 peak  4390 spectrum    1 weight  0.10000E+01 volume  0.10866E-01 ppm1      1.903 ppm2      1.136 CV     1
 ASSI { 4391}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.100     0.600     0.600 peak  4391 spectrum    1 weight  0.10000E+01 volume  0.69848E-02 ppm1      4.399 ppm2      0.765 CV     1
 ASSI { 4399}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak  4399 spectrum    1 weight  0.10000E+01 volume  0.11853E-02 ppm1      4.402 ppm2      8.238 CV     1
 ASSI { 4411}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      4.300     2.300     1.700 peak  4411 spectrum    1 weight  0.10000E+01 volume  0.56641E-03 ppm1      4.407 ppm2      2.625 CV     1
 ASSI { 4414}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.100     1.200     1.200 peak  4414 spectrum    1 weight  0.10000E+01 volume  0.14327E-02 ppm1      4.404 ppm2      2.280 CV     1
 ASSI { 4416}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.300     1.400     1.400 peak  4416 spectrum    1 weight  0.10000E+01 volume  0.11776E-02 ppm1      4.402 ppm2      2.138 CV     1
 ASSI { 4422}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      2.100     0.500     0.500 peak  4422 spectrum    1 weight  0.10000E+01 volume  0.13414E-01 ppm1      4.404 ppm2      1.675 CV     1
 ASSI { 4428}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HE  ))
      3.500     1.500     1.500 peak  4428 spectrum    1 weight  0.10000E+01 volume  0.66933E-03 ppm1      3.374 ppm2      7.525 CV     1
 ASSI { 4431}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.800     1.000     1.000 peak  4431 spectrum    1 weight  0.10000E+01 volume  0.34694E-02 ppm1      3.379 ppm2      2.033 CV     1
 OR { 4431}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI { 4433}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak  4433 spectrum    1 weight  0.10000E+01 volume  0.37561E-02 ppm1      3.378 ppm2      1.696 CV     1
 ASSI { 4436}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      3.000     1.100     1.100 peak  4436 spectrum    1 weight  0.10000E+01 volume  0.39620E-02 ppm1      4.042 ppm2      1.129 CV     1
 ASSI { 4437}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      4.100     2.100     1.900 peak  4437 spectrum    1 weight  0.10000E+01 volume  0.10717E-02 ppm1      4.042 ppm2      1.036 CV     1
 ASSI { 4451}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.200     0.600     0.600 peak  4451 spectrum    1 weight  0.10000E+01 volume  0.10399E-01 ppm1      4.042 ppm2      2.037 CV     1
 OR { 4451}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI { 4452}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.300     1.400     1.400 peak  4452 spectrum    1 weight  0.10000E+01 volume  0.26749E-02 ppm1      4.043 ppm2      1.931 CV     1
 ASSI { 4454}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
      1.700     0.400     0.500 peak  4454 spectrum    1 weight  0.10000E+01 volume  0.99855E-02 ppm1      2.043 ppm2      2.197 CV     1
 OR { 4454}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 4459}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HG1 ))
      1.600     0.300     0.600 peak  4459 spectrum    1 weight  0.10000E+01 volume  0.13002E-01 ppm1      1.703 ppm2      1.928 CV     1
 ASSI { 4477}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.500     1.500     1.500 peak  4477 spectrum    1 weight  0.10000E+01 volume  0.24648E-02 ppm1      1.702 ppm2      4.040 CV     1
 ASSI { 4480}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak  4480 spectrum    1 weight  0.10000E+01 volume  0.27200E-02 ppm1      2.063 ppm2      4.629 CV     1
 OR { 4480}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 4481}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 9    and name HA  ))
      3.600     1.600     1.600 peak  4481 spectrum    1 weight  0.10000E+01 volume  0.54843E-03 ppm1      3.382 ppm2      4.555 CV     1
 ASSI { 4482}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 9    and name HA  ))
      4.500     2.600     1.500 peak  4482 spectrum    1 weight  0.10000E+01 volume  0.59954E-03 ppm1      3.321 ppm2      4.552 CV     1
 ASSI { 4488}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak  4488 spectrum    1 weight  0.10000E+01 volume  0.17811E-02 ppm1      4.044 ppm2      7.714 CV     1
 ASSI { 4494}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak  4494 spectrum    1 weight  0.10000E+01 volume  0.85407E-03 ppm1      4.041 ppm2      8.471 CV     1
 ASSI { 4500}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak  4500 spectrum    1 weight  0.10000E+01 volume  0.67932E-03 ppm1      1.699 ppm2      7.998 CV     1
 ASSI { 4507}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      3.700     1.700     1.700 peak  4507 spectrum    1 weight  0.10000E+01 volume  0.16148E-02 ppm1      2.064 ppm2      7.224 CV     1
 OR { 4507}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 4521}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak  4521 spectrum    1 weight  0.10000E+01 volume  0.93042E-03 ppm1      3.545 ppm2      8.403 CV     1
 ASSI { 4544}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.900     1.100     1.100 peak  4544 spectrum    1 weight  0.10000E+01 volume  0.24982E-02 ppm1      2.058 ppm2      3.220 CV     1
 OR { 4544}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD1 ))
 OR { 4544}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD2 ))
 OR { 4544}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 4546}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.500     0.800     0.800 peak  4546 spectrum    1 weight  0.10000E+01 volume  0.40081E-02 ppm1      1.415 ppm2      3.218 CV     1
 OR { 4546}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 4547}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     1.000     1.000 peak  4547 spectrum    1 weight  0.10000E+01 volume  0.16072E-02 ppm1      1.417 ppm2      3.543 CV     1
 ASSI { 4549}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD1 ))
      2.600     0.900     0.900 peak  4549 spectrum    1 weight  0.10000E+01 volume  0.28402E-02 ppm1      1.188 ppm2      3.215 CV     1
 OR { 4549}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 4558}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.600     0.900     0.900 peak  4558 spectrum    1 weight  0.10000E+01 volume  0.28703E-02 ppm1      1.187 ppm2      2.054 CV     1
 OR { 4558}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 4559}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.500     0.800     0.800 peak  4559 spectrum    1 weight  0.10000E+01 volume  0.32027E-02 ppm1      1.414 ppm2      2.055 CV     1
 OR { 4559}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 4560}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.400     0.700     0.700 peak  4560 spectrum    1 weight  0.10000E+01 volume  0.59245E-02 ppm1      3.542 ppm2      2.050 CV     1
 OR { 4560}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 4566}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HG1 ))
      1.800     0.400     0.400 peak  4566 spectrum    1 weight  0.10000E+01 volume  0.75271E-02 ppm1      1.186 ppm2      1.414 CV     1
 ASSI { 4567}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.400     0.700     0.700 peak  4567 spectrum    1 weight  0.10000E+01 volume  0.38132E-02 ppm1      3.232 ppm2      1.414 CV     1
 ASSI { 4569}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.700     0.900     0.900 peak  4569 spectrum    1 weight  0.10000E+01 volume  0.33073E-02 ppm1      3.236 ppm2      1.183 CV     1
 ASSI { 4574}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.000     1.100     1.100 peak  4574 spectrum    1 weight  0.10000E+01 volume  0.19391E-02 ppm1      3.540 ppm2      0.910 CV     1
 ASSI { 4583}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.900     0.900 peak  4583 spectrum    1 weight  0.10000E+01 volume  0.35323E-02 ppm1      1.577 ppm2      8.071 CV     1
 ASSI { 4584}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak  4584 spectrum    1 weight  0.10000E+01 volume  0.26501E-02 ppm1      4.220 ppm2      8.069 CV     1
 ASSI { 4587}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      4.500     2.500     1.500 peak  4587 spectrum    1 weight  0.10000E+01 volume  0.96166E-03 ppm1      1.137 ppm2      8.068 CV     1
 ASSI { 4589}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.600     1.600     1.600 peak  4589 spectrum    1 weight  0.10000E+01 volume  0.17415E-02 ppm1      1.136 ppm2      8.740 CV     1
 ASSI { 4593}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.400     1.400     1.400 peak  4593 spectrum    1 weight  0.10000E+01 volume  0.10515E-02 ppm1      4.219 ppm2      8.858 CV     1
 ASSI { 4604}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      4.200     2.200     1.800 peak  4604 spectrum    1 weight  0.10000E+01 volume  0.82696E-03 ppm1      1.051 ppm2      7.222 CV     1
 ASSI { 4609}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.800     1.000     1.000 peak  4609 spectrum    1 weight  0.10000E+01 volume  0.20746E-02 ppm1      1.137 ppm2      7.223 CV     1
 ASSI { 4613}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      3.900     1.900     1.900 peak  4613 spectrum    1 weight  0.10000E+01 volume  0.54043E-03 ppm1      1.051 ppm2      6.925 CV     1
 OR { 4613}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 4616}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.100     1.100 peak  4616 spectrum    1 weight  0.10000E+01 volume  0.24203E-02 ppm1      2.337 ppm2      4.219 CV     1
 ASSI { 4622}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      4.300     2.300     1.700 peak  4622 spectrum    1 weight  0.10000E+01 volume  0.41638E-03 ppm1      1.135 ppm2      3.330 CV     1
 ASSI { 4631}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB1 ))
      2.400     0.700     0.700 peak  4631 spectrum    1 weight  0.10000E+01 volume  0.47199E-02 ppm1      1.137 ppm2      2.325 CV     1
 ASSI { 4632}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak  4632 spectrum    1 weight  0.10000E+01 volume  0.21112E-02 ppm1      1.136 ppm2      2.030 CV     1
 ASSI { 4634}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      3.400     1.400     1.400 peak  4634 spectrum    1 weight  0.10000E+01 volume  0.27556E-02 ppm1      1.052 ppm2      2.334 CV     1
 ASSI { 4641}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HG  ))
      2.400     0.700     0.700 peak  4641 spectrum    1 weight  0.10000E+01 volume  0.29797E-02 ppm1      2.338 ppm2      1.901 CV     1
 ASSI { 4655}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
      4.700     2.800     1.300 peak  4655 spectrum    1 weight  0.10000E+01 volume  0.66176E-03 ppm1      1.136 ppm2      0.620 CV     1
 OR { 4655}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 4666}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
      3.900     1.900     1.900 peak  4666 spectrum    1 weight  0.10000E+01 volume  0.16475E-02 ppm1      2.338 ppm2      0.807 CV     1
 ASSI { 4669}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.600     1.600     1.600 peak  4669 spectrum    1 weight  0.10000E+01 volume  0.12035E-02 ppm1      4.222 ppm2      0.634 CV     1
 OR { 4669}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 4672}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
      3.100     1.200     1.200 peak  4672 spectrum    1 weight  0.10000E+01 volume  0.24818E-02 ppm1      2.700 ppm2      0.638 CV     1
 OR { 4672}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 4686}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
      1.700     0.300     0.500 peak  4686 spectrum    1 weight  0.10000E+01 volume  0.16357E-01 ppm1      3.041 ppm2      2.697 CV     1
 ASSI { 4698}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak  4698 spectrum    1 weight  0.10000E+01 volume  0.84956E-02 ppm1      2.719 ppm2      4.630 CV     1
 OR { 4698}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 4708}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.800     1.000     1.000 peak  4708 spectrum    1 weight  0.10000E+01 volume  0.17840E-02 ppm1      2.700 ppm2      9.060 CV     1
 ASSI { 4722}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      4.600     2.600     1.400 peak  4722 spectrum    1 weight  0.10000E+01 volume  0.27698E-03 ppm1      3.876 ppm2      7.892 CV     1
 ASSI { 4723}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.900     1.900     1.900 peak  4723 spectrum    1 weight  0.10000E+01 volume  0.49686E-03 ppm1      3.873 ppm2      8.259 CV     1
 ASSI { 4725}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak  4725 spectrum    1 weight  0.10000E+01 volume  0.23709E-02 ppm1      4.326 ppm2      8.245 CV     1
 ASSI { 4726}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      3.800     1.800     1.800 peak  4726 spectrum    1 weight  0.10000E+01 volume  0.11221E-02 ppm1      1.395 ppm2      8.248 CV     1
 ASSI { 4736}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 30   and name HZ  ))
      4.300     2.300     1.700 peak  4736 spectrum    1 weight  0.10000E+01 volume  0.82895E-03 ppm1      4.327 ppm2      7.356 CV     1
 ASSI { 4739}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.200     2.200     1.800 peak  4739 spectrum    1 weight  0.10000E+01 volume  0.42865E-03 ppm1      3.873 ppm2      7.210 CV     1
 ASSI { 4740}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 30   and name HE% )
      4.800     2.900     1.200 peak  4740 spectrum    1 weight  0.10000E+01 volume  0.44823E-03 ppm1      4.328 ppm2      7.225 CV     1
 ASSI { 4741}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HE% )
      2.600     0.900     0.900 peak  4741 spectrum    1 weight  0.10000E+01 volume  0.50157E-02 ppm1      1.393 ppm2      7.221 CV     1
 ASSI { 4744}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      4.100     2.100     1.900 peak  4744 spectrum    1 weight  0.10000E+01 volume  0.42610E-03 ppm1      1.391 ppm2      4.642 CV     1
 ASSI { 4756}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      2.400     0.700     0.700 peak  4756 spectrum    1 weight  0.10000E+01 volume  0.62858E-02 ppm1      1.392 ppm2      4.325 CV     1
 ASSI { 4762}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.800     0.800 peak  4762 spectrum    1 weight  0.10000E+01 volume  0.47887E-02 ppm1      1.391 ppm2      3.874 CV     1
 ASSI { 4770}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      3.500     1.500     1.500 peak  4770 spectrum    1 weight  0.10000E+01 volume  0.98314E-03 ppm1      3.876 ppm2      0.466 CV     1
 ASSI { 4776}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD2%)
      2.700     0.900     0.900 peak  4776 spectrum    1 weight  0.10000E+01 volume  0.38521E-02 ppm1      1.392 ppm2      0.785 CV     1
 ASSI { 4778}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.400     1.400     1.400 peak  4778 spectrum    1 weight  0.10000E+01 volume  0.11818E-02 ppm1      3.876 ppm2      1.139 CV     1
 ASSI { 4782}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      4.900     3.000     1.100 peak  4782 spectrum    1 weight  0.10000E+01 volume  0.31358E-03 ppm1      3.882 ppm2      1.905 CV     1
 ASSI { 4783}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.600     0.900     0.900 peak  4783 spectrum    1 weight  0.10000E+01 volume  0.18612E-02 ppm1      3.876 ppm2      2.333 CV     1
 ASSI { 4791}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.800     2.900     1.200 peak  4791 spectrum    1 weight  0.10000E+01 volume  0.45803E-03 ppm1      4.320 ppm2      2.722 CV     1
 OR { 4791}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI { 4801}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.200     1.200     1.200 peak  4801 spectrum    1 weight  0.10000E+01 volume  0.18938E-02 ppm1      1.421 ppm2      4.538 CV     1
 ASSI { 4802}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      4.800     2.800     1.200 peak  4802 spectrum    1 weight  0.10000E+01 volume  0.62074E-03 ppm1      1.423 ppm2      8.251 CV     1
 ASSI { 4803}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.900     0.900 peak  4803 spectrum    1 weight  0.10000E+01 volume  0.49867E-02 ppm1      1.421 ppm2      9.060 CV     1
 ASSI { 4805}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      4.200     2.200     1.800 peak  4805 spectrum    1 weight  0.10000E+01 volume  0.16594E-02 ppm1      1.421 ppm2      8.846 CV     1
 ASSI { 4809}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      4.600     2.600     1.400 peak  4809 spectrum    1 weight  0.10000E+01 volume  0.53415E-03 ppm1      1.421 ppm2      7.898 CV     1
 ASSI { 4810}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HN  ))
      4.100     2.100     1.900 peak  4810 spectrum    1 weight  0.10000E+01 volume  0.99431E-03 ppm1      0.645 ppm2      9.445 CV     1
 ASSI { 4811}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.400     0.700     0.700 peak  4811 spectrum    1 weight  0.10000E+01 volume  0.27132E-02 ppm1      1.377 ppm2      9.438 CV     1
 ASSI { 4812}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.500     0.800     0.800 peak  4812 spectrum    1 weight  0.10000E+01 volume  0.34741E-02 ppm1      4.545 ppm2      9.438 CV     1
 ASSI { 4814}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 6    and name HN  ))
      3.900     1.900     1.900 peak  4814 spectrum    1 weight  0.10000E+01 volume  0.12655E-02 ppm1      0.644 ppm2      9.064 CV     1
 ASSI { 4815}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.100     0.600     0.600 peak  4815 spectrum    1 weight  0.10000E+01 volume  0.94314E-02 ppm1      4.545 ppm2      9.060 CV     1
 ASSI { 4823}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      4.200     2.200     1.800 peak  4823 spectrum    1 weight  0.10000E+01 volume  0.90975E-03 ppm1      0.644 ppm2      8.069 CV     1
 ASSI { 4828}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.900     0.900 peak  4828 spectrum    1 weight  0.10000E+01 volume  0.24855E-02 ppm1      1.571 ppm2      8.273 CV     1
 ASSI { 4830}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.600     1.600     1.600 peak  4830 spectrum    1 weight  0.10000E+01 volume  0.13125E-02 ppm1      0.644 ppm2      7.437 CV     1
 ASSI { 4831}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.400     1.500     1.500 peak  4831 spectrum    1 weight  0.10000E+01 volume  0.86578E-03 ppm1      0.613 ppm2      7.436 CV     1
 ASSI { 4832}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 79   and name HD21))
      5.900     4.400     0.100 peak  4832 spectrum    1 weight  0.10000E+01 volume  0.22538E-03 ppm1      0.651 ppm2      7.330 CV     1
 ASSI { 4838}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HE% )
      2.900     1.100     1.100 peak  4838 spectrum    1 weight  0.10000E+01 volume  0.16196E-02 ppm1      0.647 ppm2      6.821 CV     1
 ASSI { 4840}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
      5.300     3.600     0.700 peak  4840 spectrum    1 weight  0.10000E+01 volume  0.28824E-03 ppm1      0.649 ppm2      4.918 CV     1
 ASSI { 4841}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      4.400     2.500     1.600 peak  4841 spectrum    1 weight  0.10000E+01 volume  0.22641E-03 ppm1      0.610 ppm2      4.925 CV     1
 ASSI { 4846}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak  4846 spectrum    1 weight  0.10000E+01 volume  0.33561E-02 ppm1      0.646 ppm2      4.545 CV     1
 ASSI { 4847}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      3.800     1.800     1.800 peak  4847 spectrum    1 weight  0.10000E+01 volume  0.25522E-02 ppm1      0.612 ppm2      4.544 CV     1
 ASSI { 4849}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HA  ))
      3.000     1.100     1.100 peak  4849 spectrum    1 weight  0.10000E+01 volume  0.20641E-02 ppm1      1.567 ppm2      4.545 CV     1
 ASSI { 4850}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak  4850 spectrum    1 weight  0.10000E+01 volume  0.28335E-02 ppm1      1.595 ppm2      4.542 CV     1
 ASSI { 4852}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      4.300     2.300     1.700 peak  4852 spectrum    1 weight  0.10000E+01 volume  0.72093E-03 ppm1      0.646 ppm2      4.358 CV     1
 ASSI { 4856}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.700     1.700     1.700 peak  4856 spectrum    1 weight  0.10000E+01 volume  0.17413E-02 ppm1      0.611 ppm2      3.900 CV     1
 ASSI { 4860}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB1 ))
      2.800     1.000     1.000 peak  4860 spectrum    1 weight  0.10000E+01 volume  0.16097E-02 ppm1      0.649 ppm2      3.042 CV     1
 ASSI { 4865}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      4.900     3.000     1.100 peak  4865 spectrum    1 weight  0.10000E+01 volume  0.42946E-03 ppm1      4.536 ppm2      3.039 CV     1
 ASSI { 4869}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
      3.100     1.200     1.200 peak  4869 spectrum    1 weight  0.10000E+01 volume  0.21878E-02 ppm1      0.648 ppm2      2.699 CV     1
 ASSI { 4870}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HB1 ))
      5.100     3.300     0.900 peak  4870 spectrum    1 weight  0.10000E+01 volume  0.39875E-03 ppm1      0.641 ppm2      2.325 CV     1
 ASSI { 4874}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      2.900     1.100     1.100 peak  4874 spectrum    1 weight  0.10000E+01 volume  0.18745E-02 ppm1      0.610 ppm2      1.947 CV     1
 ASSI { 4877}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 75   and name HG  ))
      4.000     2.000     2.000 peak  4877 spectrum    1 weight  0.10000E+01 volume  0.99629E-03 ppm1      0.612 ppm2      1.706 CV     1
 ASSI { 4878}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
      2.100     0.600     0.600 peak  4878 spectrum    1 weight  0.10000E+01 volume  0.94218E-02 ppm1      0.611 ppm2      1.577 CV     1
 OR { 4878}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 4879}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
      3.300     1.300     1.300 peak  4879 spectrum    1 weight  0.10000E+01 volume  0.33769E-02 ppm1      0.643 ppm2      1.383 CV     1
 ASSI { 4880}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.800     0.800 peak  4880 spectrum    1 weight  0.10000E+01 volume  0.31110E-02 ppm1      0.611 ppm2      1.378 CV     1
 ASSI { 4884}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      1.700     0.400     0.500 peak  4884 spectrum    1 weight  0.10000E+01 volume  0.10234E-01 ppm1      1.376 ppm2      1.582 CV     1
 OR { 4884}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 4885}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.300     0.700     0.700 peak  4885 spectrum    1 weight  0.10000E+01 volume  0.59803E-02 ppm1      4.545 ppm2      1.584 CV     1
 OR { 4885}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 4886}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.700     0.900     0.900 peak  4886 spectrum    1 weight  0.10000E+01 volume  0.42879E-02 ppm1      4.545 ppm2      1.385 CV     1
 ASSI { 4887}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.200     0.600     0.600 peak  4887 spectrum    1 weight  0.10000E+01 volume  0.58005E-02 ppm1      1.566 ppm2      1.375 CV     1
 ASSI { 4888}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      5.100     3.200     0.900 peak  4888 spectrum    1 weight  0.10000E+01 volume  0.42941E-03 ppm1      0.615 ppm2      1.292 CV     1
 ASSI { 4891}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
      4.700     2.700     1.300 peak  4891 spectrum    1 weight  0.10000E+01 volume  0.66160E-03 ppm1      0.607 ppm2      1.166 CV     1
 ASSI { 4897}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
      3.000     1.100     1.100 peak  4897 spectrum    1 weight  0.10000E+01 volume  0.41431E-02 ppm1      0.644 ppm2      0.848 CV     1
 ASSI { 4898}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 5    and name HD1%)
      2.600     0.800     0.800 peak  4898 spectrum    1 weight  0.10000E+01 volume  0.27195E-02 ppm1      1.577 ppm2      0.615 CV     1
 ASSI { 4899}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      2.900     1.000     1.000 peak  4899 spectrum    1 weight  0.10000E+01 volume  0.22007E-02 ppm1      1.375 ppm2      0.627 CV     1
 OR { 4899}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 4900}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      2.500     0.800     0.800 peak  4900 spectrum    1 weight  0.10000E+01 volume  0.35207E-02 ppm1      4.545 ppm2      0.633 CV     1
 OR { 4900}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 4902}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      2.900     1.000     1.000 peak  4902 spectrum    1 weight  0.10000E+01 volume  0.13374E-02 ppm1      1.381 ppm2      0.804 CV     1
 ASSI { 4904}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     0.900     0.900 peak  4904 spectrum    1 weight  0.10000E+01 volume  0.35700E-02 ppm1      4.367 ppm2      8.163 CV     1
 ASSI { 4905}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak  4905 spectrum    1 weight  0.10000E+01 volume  0.24480E-02 ppm1      1.490 ppm2      8.166 CV     1
 ASSI { 4906}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HN  ))
      2.500     0.800     0.800 peak  4906 spectrum    1 weight  0.10000E+01 volume  0.44438E-02 ppm1      1.726 ppm2      8.162 CV     1
 ASSI { 4914}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.000     0.500     0.500 peak  4914 spectrum    1 weight  0.10000E+01 volume  0.12283E-01 ppm1      4.370 ppm2      9.438 CV     1
 ASSI { 4916}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      4.700     2.800     1.300 peak  4916 spectrum    1 weight  0.10000E+01 volume  0.80108E-03 ppm1      1.723 ppm2      9.437 CV     1
 ASSI { 4917}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.200     2.200     1.800 peak  4917 spectrum    1 weight  0.10000E+01 volume  0.17952E-02 ppm1      0.893 ppm2      9.437 CV     1
 ASSI { 4930}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HD22))
      4.300     2.300     1.700 peak  4930 spectrum    1 weight  0.10000E+01 volume  0.63706E-03 ppm1      0.895 ppm2      7.673 CV     1
 ASSI { 4934}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      4.100     2.100     1.900 peak  4934 spectrum    1 weight  0.10000E+01 volume  0.56926E-03 ppm1      0.894 ppm2      7.363 CV     1
 ASSI { 4937}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.700     1.700 peak  4937 spectrum    1 weight  0.10000E+01 volume  0.20161E-02 ppm1      0.894 ppm2      4.914 CV     1
 ASSI { 4944}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak  4944 spectrum    1 weight  0.10000E+01 volume  0.22518E-02 ppm1      1.724 ppm2      4.366 CV     1
 ASSI { 4945}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak  4945 spectrum    1 weight  0.10000E+01 volume  0.31860E-02 ppm1      1.616 ppm2      4.370 CV     1
 ASSI { 4946}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak  4946 spectrum    1 weight  0.10000E+01 volume  0.10387E-02 ppm1      0.965 ppm2      4.387 CV     1
 ASSI { 4953}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB1 ))
      3.300     1.300     1.300 peak  4953 spectrum    1 weight  0.10000E+01 volume  0.13267E-02 ppm1      0.896 ppm2      3.104 CV     1
 ASSI { 4955}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
      3.600     1.600     1.600 peak  4955 spectrum    1 weight  0.10000E+01 volume  0.23572E-02 ppm1      0.895 ppm2      2.778 CV     1
 ASSI { 4958}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      3.800     1.900     1.900 peak  4958 spectrum    1 weight  0.10000E+01 volume  0.25502E-02 ppm1      0.894 ppm2      2.012 CV     1
 ASSI { 4962}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HG  ))
      2.400     0.700     0.700 peak  4962 spectrum    1 weight  0.10000E+01 volume  0.73752E-02 ppm1      0.895 ppm2      1.718 CV     1
 ASSI { 4963}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
      2.400     0.700     0.700 peak  4963 spectrum    1 weight  0.10000E+01 volume  0.68576E-02 ppm1      0.894 ppm2      1.617 CV     1
 ASSI { 4973}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.900     1.100     1.100 peak  4973 spectrum    1 weight  0.10000E+01 volume  0.34864E-02 ppm1      4.365 ppm2      1.501 CV     1
 ASSI { 4977}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HG  ))
      2.500     0.800     0.800 peak  4977 spectrum    1 weight  0.10000E+01 volume  0.91764E-02 ppm1      1.620 ppm2      1.719 CV     1
 ASSI { 4978}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.200     0.600     0.600 peak  4978 spectrum    1 weight  0.10000E+01 volume  0.78847E-02 ppm1      1.721 ppm2      1.495 CV     1
 ASSI { 4983}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      4.600     2.600     1.400 peak  4983 spectrum    1 weight  0.10000E+01 volume  0.61242E-03 ppm1      4.369 ppm2      0.634 CV     1
 OR { 4983}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 4986}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      3.900     1.900     1.900 peak  4986 spectrum    1 weight  0.10000E+01 volume  0.30295E-02 ppm1      1.388 ppm2      8.159 CV     1
 ASSI { 4987}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      1.900     0.500     0.500 peak  4987 spectrum    1 weight  0.10000E+01 volume  0.20302E-01 ppm1      4.399 ppm2      8.161 CV     1
 ASSI { 4997}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HA  ))
      2.200     0.600     0.600 peak  4997 spectrum    1 weight  0.10000E+01 volume  0.10738E-01 ppm1      4.193 ppm2      4.393 CV     1
 ASSI { 5001}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 3    and name HG2%)
      2.400     0.700     0.700 peak  5001 spectrum    1 weight  0.10000E+01 volume  0.80973E-02 ppm1      4.193 ppm2      1.387 CV     1
 ASSI { 5016}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
      2.500     0.800     0.800 peak  5016 spectrum    1 weight  0.10000E+01 volume  0.64893E-02 ppm1      4.293 ppm2      1.656 CV     1
 ASSI { 5018}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 4    and name HD2%)
      2.700     0.900     0.900 peak  5018 spectrum    1 weight  0.10000E+01 volume  0.49186E-02 ppm1      1.658 ppm2      0.991 CV     1
 ASSI { 5019}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 4    and name HD1%)
      3.700     1.700     1.700 peak  5019 spectrum    1 weight  0.10000E+01 volume  0.11117E-02 ppm1      1.657 ppm2      0.885 CV     1
 ASSI { 5042}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 68   and name HG2%)
      4.000     2.000     2.000 peak  5042 spectrum    1 weight  0.10000E+01 volume  0.40404E-03 ppm1      6.906 ppm2      1.154 CV     1
 OR { 5042}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 5045}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD1%)
      5.700     4.000     0.300 peak  5045 spectrum    1 weight  0.10000E+01 volume  0.96762E-04 ppm1      6.908 ppm2      0.773 CV     1
 ASSI { 5051}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 45   and name HD2%)
      5.400     3.600     0.600 peak  5051 spectrum    1 weight  0.10000E+01 volume  0.64786E-04 ppm1      6.904 ppm2      0.382 CV     1
 ASSI { 5061}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 35   and name HD% )
      4.700     2.800     1.300 peak  5061 spectrum    1 weight  0.10000E+01 volume  0.27202E-03 ppm1      6.907 ppm2      7.149 CV     1
 ASSI { 5064}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 10   and name HB1 ))
      4.100     2.100     1.900 peak  5064 spectrum    1 weight  0.10000E+01 volume  0.26270E-03 ppm1      7.361 ppm2      2.341 CV     1
 ASSI { 5065}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak  5065 spectrum    1 weight  0.10000E+01 volume  0.26488E-03 ppm1      7.356 ppm2      3.552 CV     1
 ASSI { 5066}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 30   and name HE% )
      2.400     0.700     0.700 peak  5066 spectrum    1 weight  0.10000E+01 volume  0.33977E-02 ppm1      7.352 ppm2      7.225 CV     1
 ASSI { 5068}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak  5068 spectrum    1 weight  0.10000E+01 volume  0.49282E-03 ppm1      7.351 ppm2      8.847 CV     1
 ASSI { 5069}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 71   and name HG2 ))
      6.000     4.500     0.000 peak  5069 spectrum    1 weight  0.10000E+01 volume  0.16841E-03 ppm1      6.917 ppm2      1.356 CV     1
 ASSI { 5072}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 5    and name HD1%)
      2.300     0.700     0.700 peak  5072 spectrum    1 weight  0.10000E+01 volume  0.55766E-02 ppm1      0.885 ppm2      0.620 CV     1
 ASSI { 5074}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 60   and name HD1%)
      2.300     0.700     0.700 peak  5074 spectrum    1 weight  0.10000E+01 volume  0.55208E-02 ppm1      1.026 ppm2      0.847 CV     1
 ASSI { 5077}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HB1 ))
      2.600     0.900     0.900 peak  5077 spectrum    1 weight  0.10000E+01 volume  0.34548E-02 ppm1      1.065 ppm2      1.802 CV     1
 OR { 5077}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 5083}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
      2.500     0.800     0.800 peak  5083 spectrum    1 weight  0.10000E+01 volume  0.29191E-02 ppm1      1.184 ppm2      1.697 CV     1
 ASSI { 5085}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak  5085 spectrum    1 weight  0.10000E+01 volume  0.49258E-02 ppm1      1.065 ppm2      2.454 CV     1
 ASSI { 5087}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
      3.200     1.200     1.200 peak  5087 spectrum    1 weight  0.10000E+01 volume  0.11851E-02 ppm1      1.064 ppm2      3.081 CV     1
 ASSI { 5089}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 82   and name HD2%)
      3.000     1.200     1.200 peak  5089 spectrum    1 weight  0.10000E+01 volume  0.27571E-02 ppm1      1.577 ppm2      0.984 CV     1
 ASSI { 5091}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.400     1.400 peak  5091 spectrum    1 weight  0.10000E+01 volume  0.13497E-02 ppm1      1.048 ppm2      4.212 CV     1
 ASSI { 5094}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 77   and name HB1 ))
      3.200     1.300     1.300 peak  5094 spectrum    1 weight  0.10000E+01 volume  0.10367E-02 ppm1      1.073 ppm2      2.037 CV     1
 OR { 5094}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 5103}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      2.600     0.800     0.800 peak  5103 spectrum    1 weight  0.10000E+01 volume  0.48901E-02 ppm1      0.894 ppm2      1.483 CV     1
 ASSI { 5109}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HG  ))
      2.300     0.600     0.600 peak  5109 spectrum    1 weight  0.10000E+01 volume  0.68716E-02 ppm1      0.997 ppm2      1.856 CV     1
 ASSI { 5110}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HG  ))
      2.700     0.900     0.900 peak  5110 spectrum    1 weight  0.10000E+01 volume  0.34806E-02 ppm1      1.073 ppm2      1.744 CV     1
 ASSI { 5111}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HG  ))
      2.600     0.900     0.900 peak  5111 spectrum    1 weight  0.10000E+01 volume  0.38605E-02 ppm1      1.018 ppm2      1.745 CV     1
 ASSI { 5117}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 75   and name HD2%)
      1.900     0.500     0.500 peak  5117 spectrum    1 weight  0.10000E+01 volume  0.19304E-01 ppm1      1.703 ppm2      0.880 CV     1
 ASSI { 5119}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      3.700     1.700     1.700 peak  5119 spectrum    1 weight  0.10000E+01 volume  0.96183E-03 ppm1      0.995 ppm2      1.358 CV     1
 ASSI { 5137}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak  5137 spectrum    1 weight  0.10000E+01 volume  0.30653E-02 ppm1      2.712 ppm2      8.687 CV     1
 ASSI { 5140}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
      3.000     1.100     1.100 peak  5140 spectrum    1 weight  0.10000E+01 volume  0.18267E-02 ppm1      1.047 ppm2      0.787 CV     1
 ASSI { 5141}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak  5141 spectrum    1 weight  0.10000E+01 volume  0.16416E-02 ppm1      1.048 ppm2      3.321 CV     1
 ASSI { 5144}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak  5144 spectrum    1 weight  0.10000E+01 volume  0.24854E-02 ppm1      1.448 ppm2      8.407 CV     1
 ASSI { 5146}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      3.700     1.700     1.700 peak  5146 spectrum    1 weight  0.10000E+01 volume  0.77053E-03 ppm1      2.441 ppm2      6.904 CV     1
 ASSI { 5148}
   (( segid "    " and resid 34   and name HD1 ))
   (  segid "    " and resid 35   and name HE% )
      3.800     1.800     1.800 peak  5148 spectrum    1 weight  0.10000E+01 volume  0.10533E-02 ppm1      3.454 ppm2      6.926 CV     1
 OR { 5148}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 5149}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 29   and name HB2 ))
      4.300     2.300     1.700 peak  5149 spectrum    1 weight  0.10000E+01 volume  0.35009E-03 ppm1      4.274 ppm2      2.661 CV     1
 ASSI { 5150}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
      3.300     1.400     1.400 peak  5150 spectrum    1 weight  0.10000E+01 volume  0.18522E-02 ppm1      4.477 ppm2      2.389 CV     1
 OR { 5150}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI { 5154}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.600     0.800     0.800 peak  5154 spectrum    1 weight  0.10000E+01 volume  0.58799E-02 ppm1      4.559 ppm2      2.698 CV     1
 ASSI { 5156}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.300     1.300     1.300 peak  5156 spectrum    1 weight  0.10000E+01 volume  0.12967E-02 ppm1      4.218 ppm2      1.905 CV     1
 ASSI { 5157}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      3.600     1.600     1.600 peak  5157 spectrum    1 weight  0.10000E+01 volume  0.13834E-02 ppm1      4.398 ppm2      1.875 CV     1
 ASSI { 5163}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.900     1.100     1.100 peak  5163 spectrum    1 weight  0.10000E+01 volume  0.24509E-02 ppm1      4.703 ppm2      8.112 CV     1
 ASSI { 5168}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.300     1.300     1.300 peak  5168 spectrum    1 weight  0.10000E+01 volume  0.22802E-02 ppm1      4.706 ppm2      2.810 CV     1
 ASSI { 5172}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak  5172 spectrum    1 weight  0.10000E+01 volume  0.16583E-02 ppm1      4.385 ppm2      8.435 CV     1
 ASSI { 5174}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.700     1.700     1.700 peak  5174 spectrum    1 weight  0.10000E+01 volume  0.61994E-03 ppm1      4.358 ppm2      7.828 CV     1
 ASSI { 5175}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
      3.300     1.400     1.400 peak  5175 spectrum    1 weight  0.10000E+01 volume  0.93541E-03 ppm1      1.048 ppm2      2.442 CV     1
 ASSI { 5187}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 28   and name HA1 ))
      1.700     0.300     0.500 peak  5187 spectrum    1 weight  0.10000E+01 volume  0.21946E-01 ppm1      3.879 ppm2      4.271 CV     1
 ASSI { 5188}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 29   and name HA  ))
      4.600     2.600     1.400 peak  5188 spectrum    1 weight  0.10000E+01 volume  0.54026E-03 ppm1      3.892 ppm2      4.864 CV     1
 ASSI { 5202}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 42   and name H42B))
      4.600     2.700     1.400 peak  5202 spectrum    1 weight  0.10000E+01 volume  0.31212E-03 ppm1      1.424 ppm2      3.439 CV     1
 OR { 5202}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 42   and name H42A))
 ASSI { 5203}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HB  ))
      5.400     3.700     0.600 peak  5203 spectrum    1 weight  0.10000E+01 volume  0.29292E-03 ppm1      1.414 ppm2      2.377 CV     1
 ASSI {    1}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.100     3.100     2.900 peak     1 spectrum    1 weight  0.10000E+01 volume  0.56174E-03 ppm1      9.077 ppm2      1.029 CV     1
 ASSI {    2}
   (( segid "    " and resid 72   and name HE  ))
   (  segid "    " and resid 31   and name HD2%)
      4.000     2.000     2.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.35471E-03 ppm1      9.079 ppm2      0.778 CV     1
 ASSI {    3}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HA  ))
      4.800     2.900     1.200 peak     3 spectrum    1 weight  0.10000E+01 volume  0.34984E-03 ppm1      9.079 ppm2      3.601 CV     1
 ASSI {    7}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.500     0.800     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.17179E-02 ppm1      9.077 ppm2      1.629 CV     1
 ASSI {    8}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HG2 ))
      3.800     1.800     1.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.82642E-03 ppm1      9.077 ppm2      1.519 CV     1
 ASSI {    9}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH22))
      2.700     0.900     0.900 peak     9 spectrum    1 weight  0.10000E+01 volume  0.31414E-02 ppm1      9.077 ppm2      6.898 CV     1
 OR {    9}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH21))
 OR {    9}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH12))
 OR {    9}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH11))
 ASSI {   10}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.900     1.000     1.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.27368E-02 ppm1      8.241 ppm2      1.535 CV     1
 ASSI {   11}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.500     2.600     1.500 peak    11 spectrum    1 weight  0.10000E+01 volume  0.19358E-03 ppm1      8.244 ppm2      1.039 CV     1
 ASSI {   12}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.400     0.700     0.700 peak    12 spectrum    1 weight  0.10000E+01 volume  0.93428E-02 ppm1      8.241 ppm2      4.061 CV     1
 OR {   12}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {   13}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.700     1.800     1.800 peak    13 spectrum    1 weight  0.10000E+01 volume  0.59159E-03 ppm1      8.241 ppm2      3.944 CV     1
 ASSI {   14}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.900     1.100     1.100 peak    14 spectrum    1 weight  0.10000E+01 volume  0.42371E-02 ppm1      8.241 ppm2      4.363 CV     1
 ASSI {   16}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.200     1.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.19110E-02 ppm1      8.242 ppm2      8.497 CV     1
 ASSI {   18}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      4.100     2.100     1.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.65859E-03 ppm1      7.724 ppm2      2.453 CV     1
 ASSI {   19}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      4.000     2.000     2.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.56496E-03 ppm1      7.725 ppm2      1.835 CV     1
 ASSI {   20}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.600     2.600     1.400 peak    20 spectrum    1 weight  0.10000E+01 volume  0.50075E-03 ppm1      7.722 ppm2      1.539 CV     1
 ASSI {   21}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.200     1.300     1.300 peak    21 spectrum    1 weight  0.10000E+01 volume  0.46774E-03 ppm1      7.723 ppm2      1.054 CV     1
 ASSI {   22}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      5.800     4.300     0.200 peak    22 spectrum    1 weight  0.10000E+01 volume  0.24231E-03 ppm1      7.725 ppm2      0.882 CV     1
 ASSI {   23}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.700     2.700     1.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.49308E-03 ppm1      7.721 ppm2      2.993 CV     1
 ASSI {   24}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.200     1.300     1.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.12819E-02 ppm1      7.725 ppm2      4.633 CV     1
 ASSI {   25}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.400     1.400 peak    25 spectrum    1 weight  0.10000E+01 volume  0.12556E-02 ppm1      7.724 ppm2      4.361 CV     1
 ASSI {   28}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      4.200     2.200     1.800 peak    28 spectrum    1 weight  0.10000E+01 volume  0.29675E-03 ppm1      7.720 ppm2      4.805 CV     1
 ASSI {   29}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.800     1.800     1.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.11247E-02 ppm1      7.724 ppm2      7.550 CV     1
 ASSI {   30}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     0.800     0.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.44403E-02 ppm1      7.725 ppm2      8.038 CV     1
 ASSI {   31}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.200     2.200     1.800 peak    31 spectrum    1 weight  0.10000E+01 volume  0.50865E-03 ppm1      7.721 ppm2      6.983 CV     1
 ASSI {   32}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 75   and name HG  ))
      2.900     1.000     1.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.18101E-02 ppm1      7.666 ppm2      1.693 CV     1
 ASSI {   33}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB1 ))
      3.800     1.800     1.800 peak    33 spectrum    1 weight  0.10000E+01 volume  0.11506E-02 ppm1      7.667 ppm2      1.587 CV     1
 OR {   33}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {   34}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB2 ))
      4.500     2.500     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.68791E-03 ppm1      7.667 ppm2      1.478 CV     1
 ASSI {   35}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB2 ))
      3.200     1.300     1.300 peak    35 spectrum    1 weight  0.10000E+01 volume  0.61752E-03 ppm1      7.668 ppm2      1.368 CV     1
 ASSI {   36}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 4    and name HD2%)
      3.000     1.200     1.200 peak    36 spectrum    1 weight  0.10000E+01 volume  0.67416E-03 ppm1      7.667 ppm2      0.962 CV     1
 ASSI {   38}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 75   and name HD1%)
      3.100     1.200     1.200 peak    38 spectrum    1 weight  0.10000E+01 volume  0.19984E-02 ppm1      7.666 ppm2      0.792 CV     1
 ASSI {   39}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 75   and name HG  ))
      3.200     1.300     1.300 peak    39 spectrum    1 weight  0.10000E+01 volume  0.14161E-02 ppm1      7.359 ppm2      1.694 CV     1
 ASSI {   40}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HB1 ))
      3.900     1.900     1.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.15243E-02 ppm1      7.358 ppm2      1.584 CV     1
 OR {   40}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {   41}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HB2 ))
      4.200     2.300     1.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.10419E-02 ppm1      7.358 ppm2      1.475 CV     1
 ASSI {   42}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HB2 ))
      3.600     1.600     1.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.66192E-03 ppm1      7.360 ppm2      1.367 CV     1
 ASSI {   43}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD2%)
      3.700     1.700     1.700 peak    43 spectrum    1 weight  0.10000E+01 volume  0.70777E-03 ppm1      7.356 ppm2      0.962 CV     1
 ASSI {   46}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 76   and name HA  ))
      4.300     2.300     1.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.64855E-03 ppm1      7.666 ppm2      4.486 CV     1
 ASSI {   48}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HA  ))
      4.700     2.800     1.300 peak    48 spectrum    1 weight  0.10000E+01 volume  0.40731E-03 ppm1      7.356 ppm2      4.354 CV     1
 ASSI {   49}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HB1 ))
      3.400     1.400     1.400 peak    49 spectrum    1 weight  0.10000E+01 volume  0.29487E-02 ppm1      7.668 ppm2      3.087 CV     1
 ASSI {   50}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB1 ))
      2.900     1.000     1.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.16978E-02 ppm1      7.358 ppm2      3.088 CV     1
 ASSI {   52}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB2 ))
      3.100     1.200     1.200 peak    52 spectrum    1 weight  0.10000E+01 volume  0.11903E-02 ppm1      7.358 ppm2      2.772 CV     1
 ASSI {   53}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak    53 spectrum    1 weight  0.10000E+01 volume  0.11583E-02 ppm1      7.666 ppm2      9.427 CV     1
 ASSI {   54}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HN  ))
      4.400     2.400     1.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.60915E-03 ppm1      7.668 ppm2      8.874 CV     1
 ASSI {   55}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak    55 spectrum    1 weight  0.10000E+01 volume  0.19132E-02 ppm1      7.359 ppm2      9.428 CV     1
 ASSI {   56}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HN  ))
      4.300     2.300     1.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.44497E-03 ppm1      7.356 ppm2      8.870 CV     1
 ASSI {   57}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HA  ))
      4.600     2.600     1.400 peak    57 spectrum    1 weight  0.10000E+01 volume  0.37290E-03 ppm1      7.667 ppm2      4.900 CV     1
 ASSI {   58}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HA  ))
      4.700     2.700     1.300 peak    58 spectrum    1 weight  0.10000E+01 volume  0.15924E-03 ppm1      7.357 ppm2      4.899 CV     1
 ASSI {   59}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 76   and name HA  ))
      4.700     2.800     1.300 peak    59 spectrum    1 weight  0.10000E+01 volume  0.24282E-03 ppm1      7.359 ppm2      4.491 CV     1
 ASSI {   60}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HA  ))
      5.100     3.200     0.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.31842E-03 ppm1      7.668 ppm2      4.362 CV     1
 ASSI {   61}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.900     1.900     1.900 peak    61 spectrum    1 weight  0.10000E+01 volume  0.13476E-02 ppm1      7.483 ppm2      2.996 CV     1
 ASSI {   62}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.900     1.100     1.100 peak    62 spectrum    1 weight  0.10000E+01 volume  0.13773E-02 ppm1      7.481 ppm2      2.861 CV     1
 ASSI {   63}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      4.700     2.700     1.300 peak    63 spectrum    1 weight  0.10000E+01 volume  0.69231E-03 ppm1      7.482 ppm2      2.620 CV     1
 ASSI {   64}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.600     0.900     0.900 peak    64 spectrum    1 weight  0.10000E+01 volume  0.30189E-02 ppm1      7.481 ppm2      2.459 CV     1
 ASSI {   65}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.300     1.300     1.300 peak    65 spectrum    1 weight  0.10000E+01 volume  0.16787E-02 ppm1      7.482 ppm2      2.279 CV     1
 ASSI {   68}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.000     1.100     1.100 peak    68 spectrum    1 weight  0.10000E+01 volume  0.11844E-02 ppm1      7.481 ppm2      4.929 CV     1
 ASSI {   69}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      4.000     2.000     2.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.54622E-03 ppm1      7.484 ppm2      4.613 CV     1
 ASSI {   70}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.200     2.200     1.800 peak    70 spectrum    1 weight  0.10000E+01 volume  0.14766E-02 ppm1      7.481 ppm2      4.441 CV     1
 ASSI {   71}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.400     0.700     0.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.58982E-02 ppm1      7.481 ppm2      9.145 CV     1
 ASSI {   72}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.100     1.200     1.200 peak    72 spectrum    1 weight  0.10000E+01 volume  0.99554E-03 ppm1      7.331 ppm2      2.043 CV     1
 OR {   72}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {   74}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.700     1.700     1.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.65859E-03 ppm1      7.330 ppm2      1.182 CV     1
 ASSI {   75}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD2 ))
      2.800     1.000     1.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.26470E-02 ppm1      7.330 ppm2      3.202 CV     1
 ASSI {   76}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 8    and name HA  ))
      4.000     2.000     2.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.42153E-03 ppm1      7.331 ppm2      4.623 CV     1
 ASSI {   81}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.600     1.700     1.700 peak    81 spectrum    1 weight  0.10000E+01 volume  0.56502E-03 ppm1      7.990 ppm2      2.175 CV     1
 ASSI {   82}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.000     2.000     2.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.38791E-03 ppm1      7.988 ppm2      1.941 CV     1
 ASSI {   83}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.000     2.000     2.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.39899E-03 ppm1      7.998 ppm2      1.857 CV     1
 ASSI {   84}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.500     1.600     1.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.58053E-03 ppm1      7.997 ppm2      1.623 CV     1
 ASSI {   86}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HD2 ))
      3.200     1.300     1.300 peak    86 spectrum    1 weight  0.10000E+01 volume  0.12022E-02 ppm1      7.994 ppm2      3.346 CV     1
 ASSI {   90}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HG1 ))
      3.600     1.700     1.700 peak    90 spectrum    1 weight  0.10000E+01 volume  0.60528E-03 ppm1      7.570 ppm2      1.984 CV     1
 ASSI {   91}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.800     1.800     1.800 peak    91 spectrum    1 weight  0.10000E+01 volume  0.41171E-03 ppm1      7.567 ppm2      1.730 CV     1
 ASSI {   94}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.600     1.600     1.600 peak    94 spectrum    1 weight  0.10000E+01 volume  0.45979E-03 ppm1      7.183 ppm2      1.358 CV     1
 ASSI {   95}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.200     2.200     1.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.30856E-03 ppm1      7.181 ppm2      0.969 CV     1
 ASSI {   96}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HD1 ))
      3.900     1.900     1.900 peak    96 spectrum    1 weight  0.10000E+01 volume  0.34171E-03 ppm1      7.188 ppm2      3.089 CV     1
 ASSI {   97}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HD2 ))
      4.100     2.100     1.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.25597E-03 ppm1      7.186 ppm2      3.002 CV     1
 ASSI {   99}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.100     2.100     1.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.49554E-03 ppm1      7.417 ppm2      2.067 CV     1
 ASSI {  100}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.600     2.600     1.400 peak   100 spectrum    1 weight  0.10000E+01 volume  0.32343E-03 ppm1      7.413 ppm2      1.869 CV     1
 ASSI {  101}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.500     1.600     1.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.69086E-03 ppm1      7.415 ppm2      1.744 CV     1
 OR {  101}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  102}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 64   and name HA  ))
      5.600     4.000     0.400 peak   102 spectrum    1 weight  0.10000E+01 volume  0.95324E-04 ppm1      7.413 ppm2      3.860 CV     1
 ASSI {  104}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HD2 ))
      3.200     1.300     1.300 peak   104 spectrum    1 weight  0.10000E+01 volume  0.11488E-02 ppm1      7.516 ppm2      3.310 CV     1
 ASSI {  105}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB1 ))
      4.600     2.600     1.400 peak   105 spectrum    1 weight  0.10000E+01 volume  0.59170E-03 ppm1      7.516 ppm2      2.026 CV     1
 OR {  105}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  106}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG1 ))
      4.600     2.600     1.400 peak   106 spectrum    1 weight  0.10000E+01 volume  0.35781E-03 ppm1      7.516 ppm2      1.910 CV     1
 ASSI {  107}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.800     1.800     1.800 peak   107 spectrum    1 weight  0.10000E+01 volume  0.47333E-03 ppm1      7.516 ppm2      1.689 CV     1
 ASSI {  109}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.200     3.200     2.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.55202E-03 ppm1      8.485 ppm2      1.245 CV     1
 ASSI {  110}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.400     1.500     1.500 peak   110 spectrum    1 weight  0.10000E+01 volume  0.12268E-02 ppm1      8.489 ppm2      2.826 CV     1
 OR {  110}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  111}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
      2.500     0.800     0.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.81944E-02 ppm1      8.488 ppm2      4.072 CV     1
 OR {  111}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
 ASSI {  112}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.33624E-02 ppm1      8.487 ppm2      4.716 CV     1
 ASSI {  113}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.600     2.600     1.400 peak   113 spectrum    1 weight  0.10000E+01 volume  0.40923E-03 ppm1      8.488 ppm2      4.341 CV     1
 ASSI {  115}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.900     0.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.32721E-02 ppm1      8.405 ppm2      8.875 CV     1
 ASSI {  116}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.40194E-02 ppm1      8.404 ppm2      7.594 CV     1
 ASSI {  117}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.600     1.600 peak   117 spectrum    1 weight  0.10000E+01 volume  0.83313E-03 ppm1      8.405 ppm2      4.906 CV     1
 ASSI {  119}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak   119 spectrum    1 weight  0.10000E+01 volume  0.12275E-02 ppm1      8.404 ppm2      4.268 CV     1
 ASSI {  120}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      2.200     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.11336E-01 ppm1      8.405 ppm2      4.027 CV     1
 OR {  120}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {  121}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.400     1.400     1.400 peak   121 spectrum    1 weight  0.10000E+01 volume  0.13628E-02 ppm1      8.406 ppm2      3.090 CV     1
 ASSI {  122}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.200     1.200     1.200 peak   122 spectrum    1 weight  0.10000E+01 volume  0.10948E-02 ppm1      8.405 ppm2      2.767 CV     1
 ASSI {  125}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.100     2.100     1.900 peak   125 spectrum    1 weight  0.10000E+01 volume  0.46584E-03 ppm1      8.405 ppm2      0.877 CV     1
 ASSI {  126}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.300     3.300     2.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.38845E-03 ppm1      8.402 ppm2      1.923 CV     1
 ASSI {  127}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      4.200     2.200     1.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.42972E-03 ppm1      8.402 ppm2      3.740 CV     1
 ASSI {  128}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.200     3.200     2.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.47501E-03 ppm1      8.403 ppm2      8.690 CV     1
 ASSI {  129}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      4.000     2.000     2.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.63701E-03 ppm1      7.964 ppm2      0.954 CV     1
 ASSI {  130}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.500     1.600     1.600 peak   130 spectrum    1 weight  0.10000E+01 volume  0.92827E-03 ppm1      7.969 ppm2      2.804 CV     1
 ASSI {  133}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.800     1.800     1.800 peak   133 spectrum    1 weight  0.10000E+01 volume  0.55530E-03 ppm1      7.967 ppm2      4.372 CV     1
 ASSI {  134}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.400     0.700     0.700 peak   134 spectrum    1 weight  0.10000E+01 volume  0.46778E-02 ppm1      7.966 ppm2      8.105 CV     1
 ASSI {  135}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak   135 spectrum    1 weight  0.10000E+01 volume  0.29128E-02 ppm1      7.968 ppm2      7.488 CV     1
 ASSI {  136}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.800     2.900     1.200 peak   136 spectrum    1 weight  0.10000E+01 volume  0.32675E-03 ppm1      7.968 ppm2      3.453 CV     1
 ASSI {  140}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.700     0.900     0.900 peak   140 spectrum    1 weight  0.10000E+01 volume  0.61731E-02 ppm1      8.562 ppm2      4.284 CV     1
 ASSI {  141}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.300     2.300     1.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.14324E-02 ppm1      8.562 ppm2      4.032 CV     1
 ASSI {  142}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      2.500     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.39256E-02 ppm1      8.562 ppm2      3.871 CV     1
 ASSI {  144}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak   144 spectrum    1 weight  0.10000E+01 volume  0.15986E-02 ppm1      8.053 ppm2      7.519 CV     1
 ASSI {  145}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak   145 spectrum    1 weight  0.10000E+01 volume  0.17661E-02 ppm1      8.056 ppm2      5.044 CV     1
 ASSI {  147}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.300     1.400     1.400 peak   147 spectrum    1 weight  0.10000E+01 volume  0.15857E-02 ppm1      8.056 ppm2      3.031 CV     1
 ASSI {  149}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      5.000     3.100     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.74627E-03 ppm1      8.055 ppm2      1.778 CV     1
 OR {  149}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  150}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.900     1.100     1.100 peak   150 spectrum    1 weight  0.10000E+01 volume  0.14536E-02 ppm1      8.054 ppm2      1.630 CV     1
 ASSI {  151}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.800     2.900     1.200 peak   151 spectrum    1 weight  0.10000E+01 volume  0.31448E-03 ppm1      8.056 ppm2      0.951 CV     1
 ASSI {  153}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      5.300     3.600     0.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.21364E-03 ppm1      8.051 ppm2      0.784 CV     1
 ASSI {  154}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      4.700     2.700     1.300 peak   154 spectrum    1 weight  0.10000E+01 volume  0.32500E-03 ppm1      8.053 ppm2      0.464 CV     1
 ASSI {  155}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      4.400     2.400     1.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.28702E-03 ppm1      8.049 ppm2      1.201 CV     1
 ASSI {  156}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      5.100     3.200     0.900 peak   156 spectrum    1 weight  0.10000E+01 volume  0.15184E-03 ppm1      8.057 ppm2      4.750 CV     1
 ASSI {  159}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.300     2.300     1.700 peak   159 spectrum    1 weight  0.10000E+01 volume  0.89294E-03 ppm1      8.047 ppm2      2.740 CV     1
 ASSI {  160}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.400     1.500     1.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.20706E-02 ppm1      8.047 ppm2      2.469 CV     1
 ASSI {  161}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak   161 spectrum    1 weight  0.10000E+01 volume  0.30440E-02 ppm1      8.047 ppm2      2.354 CV     1
 OR {  161}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  166}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.400     0.700     0.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.47424E-02 ppm1      8.047 ppm2      8.131 CV     1
 ASSI {  167}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak   167 spectrum    1 weight  0.10000E+01 volume  0.32277E-02 ppm1      8.048 ppm2      8.903 CV     1
 ASSI {  169}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.700     1.700     1.700 peak   169 spectrum    1 weight  0.10000E+01 volume  0.14808E-02 ppm1      7.490 ppm2      2.126 CV     1
 ASSI {  170}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.600     1.600     1.600 peak   170 spectrum    1 weight  0.10000E+01 volume  0.64829E-03 ppm1      7.491 ppm2      2.799 CV     1
 ASSI {  171}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      4.100     2.200     1.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.30638E-03 ppm1      7.491 ppm2      2.475 CV     1
 ASSI {  172}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.600     2.700     1.400 peak   172 spectrum    1 weight  0.10000E+01 volume  0.47248E-03 ppm1      7.488 ppm2      3.453 CV     1
 ASSI {  174}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.25458E-02 ppm1      7.491 ppm2      4.661 CV     1
 ASSI {  177}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      4.600     2.600     1.400 peak   177 spectrum    1 weight  0.10000E+01 volume  0.44627E-03 ppm1      8.931 ppm2      1.537 CV     1
 ASSI {  181}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.100     1.200     1.200 peak   181 spectrum    1 weight  0.10000E+01 volume  0.43467E-02 ppm1      8.930 ppm2      4.344 CV     1
 ASSI {  184}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   184 spectrum    1 weight  0.10000E+01 volume  0.38401E-02 ppm1      8.930 ppm2      4.741 CV     1
 ASSI {  185}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.900     1.000     1.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.20649E-02 ppm1      8.931 ppm2      7.815 CV     1
 ASSI {  186}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.000     2.000     2.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.55959E-03 ppm1      8.930 ppm2      8.000 CV     1
 ASSI {  187}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.300     2.300     1.700 peak   187 spectrum    1 weight  0.10000E+01 volume  0.45636E-03 ppm1      8.931 ppm2      8.176 CV     1
 ASSI {  189}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      3.300     1.400     1.400 peak   189 spectrum    1 weight  0.10000E+01 volume  0.38126E-03 ppm1      8.242 ppm2      4.058 CV     1
 OR {  189}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {  193}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      4.000     2.000     2.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.12598E-02 ppm1      8.243 ppm2      2.229 CV     1
 ASSI {  194}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.400     2.400     1.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.74954E-03 ppm1      8.244 ppm2      2.063 CV     1
 ASSI {  195}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.400     1.400     1.400 peak   195 spectrum    1 weight  0.10000E+01 volume  0.25288E-02 ppm1      8.244 ppm2      1.241 CV     1
 ASSI {  196}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      5.700     4.100     0.300 peak   196 spectrum    1 weight  0.10000E+01 volume  0.12572E-03 ppm1      8.246 ppm2      2.837 CV     1
 OR {  196}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  201}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      4.300     2.300     1.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.41008E-03 ppm1      8.110 ppm2      4.312 CV     1
 ASSI {  203}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak   203 spectrum    1 weight  0.10000E+01 volume  0.12391E-02 ppm1      8.108 ppm2      1.881 CV     1
 ASSI {  204}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.800     1.800     1.800 peak   204 spectrum    1 weight  0.10000E+01 volume  0.17673E-02 ppm1      8.109 ppm2      1.593 CV     1
 ASSI {  205}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      5.000     3.200     1.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.39053E-03 ppm1      8.111 ppm2      1.374 CV     1
 ASSI {  211}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.800     1.000     1.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.29924E-02 ppm1      7.809 ppm2      4.562 CV     1
 ASSI {  213}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.400     1.400 peak   213 spectrum    1 weight  0.10000E+01 volume  0.16581E-02 ppm1      7.809 ppm2      4.204 CV     1
 ASSI {  214}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.700     0.900     0.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.30457E-02 ppm1      7.808 ppm2      4.135 CV     1
 ASSI {  215}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.200     1.300     1.300 peak   215 spectrum    1 weight  0.10000E+01 volume  0.18654E-02 ppm1      7.809 ppm2      4.047 CV     1
 ASSI {  216}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.900     1.900     1.900 peak   216 spectrum    1 weight  0.10000E+01 volume  0.61548E-03 ppm1      7.809 ppm2      3.940 CV     1
 ASSI {  217}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.000     1.100     1.100 peak   217 spectrum    1 weight  0.10000E+01 volume  0.17672E-02 ppm1      7.809 ppm2      2.253 CV     1
 ASSI {  218}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.700     1.700     1.700 peak   218 spectrum    1 weight  0.10000E+01 volume  0.13874E-02 ppm1      7.810 ppm2      2.138 CV     1
 ASSI {  224}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.100     1.200     1.200 peak   224 spectrum    1 weight  0.10000E+01 volume  0.19297E-02 ppm1      7.720 ppm2      1.054 CV     1
 ASSI {  225}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      4.800     2.900     1.200 peak   225 spectrum    1 weight  0.10000E+01 volume  0.87179E-03 ppm1      7.720 ppm2      0.882 CV     1
 ASSI {  227}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      2.100     0.600     0.600 peak   227 spectrum    1 weight  0.10000E+01 volume  0.32766E-02 ppm1      7.718 ppm2      1.531 CV     1
 ASSI {  228}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.800     1.800     1.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.10502E-02 ppm1      7.719 ppm2      2.436 CV     1
 ASSI {  229}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      2.900     1.000     1.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.27380E-02 ppm1      7.717 ppm2      1.829 CV     1
 ASSI {  230}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.600     1.700     1.700 peak   230 spectrum    1 weight  0.10000E+01 volume  0.69172E-03 ppm1      7.718 ppm2      4.806 CV     1
 ASSI {  231}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak   231 spectrum    1 weight  0.10000E+01 volume  0.15207E-02 ppm1      7.719 ppm2      4.625 CV     1
 ASSI {  235}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.300     1.400     1.400 peak   235 spectrum    1 weight  0.10000E+01 volume  0.97605E-03 ppm1      7.720 ppm2      3.086 CV     1
 ASSI {  237}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.300     0.600     0.600 peak   237 spectrum    1 weight  0.10000E+01 volume  0.52313E-02 ppm1      7.718 ppm2      7.555 CV     1
 ASSI {  238}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.500     2.500     1.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.32502E-03 ppm1      7.718 ppm2      9.571 CV     1
 ASSI {  241}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.900     1.900     1.900 peak   241 spectrum    1 weight  0.10000E+01 volume  0.14466E-02 ppm1      9.053 ppm2      0.630 CV     1
 OR {  241}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  242}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.800     1.000     1.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.20702E-02 ppm1      9.053 ppm2      1.572 CV     1
 OR {  242}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  246}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.500     1.500     1.500 peak   246 spectrum    1 weight  0.10000E+01 volume  0.62246E-03 ppm1      9.051 ppm2      4.772 CV     1
 ASSI {  250}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.000     1.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.20728E-02 ppm1      8.836 ppm2      8.239 CV     1
 ASSI {  251}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.600     2.600     1.400 peak   251 spectrum    1 weight  0.10000E+01 volume  0.33081E-03 ppm1      8.835 ppm2      7.896 CV     1
 ASSI {  252}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.300     0.600     0.600 peak   252 spectrum    1 weight  0.10000E+01 volume  0.55143E-02 ppm1      8.836 ppm2      4.849 CV     1
 ASSI {  253}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.44723E-02 ppm1      8.836 ppm2      4.771 CV     1
 ASSI {  254}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.600     0.900     0.900 peak   254 spectrum    1 weight  0.10000E+01 volume  0.33454E-02 ppm1      8.836 ppm2      4.312 CV     1
 ASSI {  255}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   255 spectrum    1 weight  0.10000E+01 volume  0.30816E-02 ppm1      8.835 ppm2      3.864 CV     1
 ASSI {  257}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.300     1.400     1.400 peak   257 spectrum    1 weight  0.10000E+01 volume  0.42783E-02 ppm1      8.836 ppm2      1.394 CV     1
 ASSI {  258}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.800     1.800     1.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.62445E-03 ppm1      8.837 ppm2      0.881 CV     1
 ASSI {  260}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      5.200     3.300     0.800 peak   260 spectrum    1 weight  0.10000E+01 volume  0.18381E-03 ppm1      8.833 ppm2      2.335 CV     1
 ASSI {  261}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      5.300     3.500     0.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.17702E-03 ppm1      8.836 ppm2      1.129 CV     1
 ASSI {  262}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      5.000     3.200     1.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.16961E-03 ppm1      8.835 ppm2      0.462 CV     1
 ASSI {  263}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.400     1.400 peak   263 spectrum    1 weight  0.10000E+01 volume  0.29599E-02 ppm1      8.246 ppm2      3.977 CV     1
 ASSI {  265}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.100     1.100 peak   265 spectrum    1 weight  0.10000E+01 volume  0.31472E-02 ppm1      8.247 ppm2      4.363 CV     1
 ASSI {  267}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      4.300     2.300     1.700 peak   267 spectrum    1 weight  0.10000E+01 volume  0.81853E-03 ppm1      8.247 ppm2      4.711 CV     1
 ASSI {  268}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      5.600     3.900     0.400 peak   268 spectrum    1 weight  0.10000E+01 volume  0.18185E-03 ppm1      8.245 ppm2      3.024 CV     1
 ASSI {  269}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.900     3.000     1.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.23230E-03 ppm1      8.241 ppm2      2.747 CV     1
 ASSI {  270}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      4.100     2.100     1.900 peak   270 spectrum    1 weight  0.10000E+01 volume  0.36865E-03 ppm1      8.246 ppm2      1.578 CV     1
 ASSI {  271}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.800     1.800     1.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.56512E-03 ppm1      8.248 ppm2      1.447 CV     1
 ASSI {  272}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      4.400     2.500     1.600 peak   272 spectrum    1 weight  0.10000E+01 volume  0.29578E-03 ppm1      8.246 ppm2      0.792 CV     1
 ASSI {  273}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      4.200     2.200     1.800 peak   273 spectrum    1 weight  0.10000E+01 volume  0.54365E-03 ppm1      8.246 ppm2      0.691 CV     1
 ASSI {  274}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      4.100     2.100     1.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.57167E-03 ppm1      8.250 ppm2      1.247 CV     1
 ASSI {  275}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.700     1.700     1.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.20444E-02 ppm1      8.247 ppm2      8.563 CV     1
 ASSI {  276}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   276 spectrum    1 weight  0.10000E+01 volume  0.34991E-02 ppm1      8.248 ppm2      8.470 CV     1
 ASSI {  277}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.000     1.100     1.100 peak   277 spectrum    1 weight  0.10000E+01 volume  0.26349E-02 ppm1      8.130 ppm2      8.484 CV     1
 ASSI {  278}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.500     1.500     1.500 peak   278 spectrum    1 weight  0.10000E+01 volume  0.10337E-02 ppm1      8.130 ppm2      8.609 CV     1
 ASSI {  279}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak   279 spectrum    1 weight  0.10000E+01 volume  0.25565E-02 ppm1      8.131 ppm2      4.325 CV     1
 ASSI {  282}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.800     1.800     1.800 peak   282 spectrum    1 weight  0.10000E+01 volume  0.43012E-03 ppm1      8.129 ppm2      2.831 CV     1
 OR {  282}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  285}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.200     0.600     0.600 peak   285 spectrum    1 weight  0.10000E+01 volume  0.11046E-01 ppm1      7.988 ppm2      2.032 CV     1
 OR {  285}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  286}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.300     1.300     1.300 peak   286 spectrum    1 weight  0.10000E+01 volume  0.31824E-02 ppm1      7.988 ppm2      1.921 CV     1
 ASSI {  287}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      3.900     1.900     1.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.17548E-02 ppm1      7.988 ppm2      1.681 CV     1
 ASSI {  291}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.500     1.500     1.500 peak   291 spectrum    1 weight  0.10000E+01 volume  0.94067E-03 ppm1      7.989 ppm2      3.528 CV     1
 ASSI {  292}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.800     0.800 peak   292 spectrum    1 weight  0.10000E+01 volume  0.38410E-02 ppm1      7.988 ppm2      4.031 CV     1
 ASSI {  293}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.900     1.900     1.900 peak   293 spectrum    1 weight  0.10000E+01 volume  0.69252E-03 ppm1      7.989 ppm2      4.616 CV     1
 ASSI {  294}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.700     1.700     1.700 peak   294 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      7.988 ppm2      4.548 CV     1
 ASSI {  295}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.200     2.200     1.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.36271E-03 ppm1      7.989 ppm2      4.206 CV     1
 ASSI {  296}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.43591E-02 ppm1      7.988 ppm2      7.710 CV     1
 ASSI {  297}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak   297 spectrum    1 weight  0.10000E+01 volume  0.29009E-02 ppm1      7.988 ppm2      8.836 CV     1
 ASSI {  298}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      3.300     1.400     1.400 peak   298 spectrum    1 weight  0.10000E+01 volume  0.24609E-02 ppm1      7.457 ppm2      2.377 CV     1
 ASSI {  299}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.600     1.600     1.600 peak   299 spectrum    1 weight  0.10000E+01 volume  0.79008E-03 ppm1      7.459 ppm2      2.064 CV     1
 ASSI {  300}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.900     1.900     1.900 peak   300 spectrum    1 weight  0.10000E+01 volume  0.77327E-03 ppm1      7.459 ppm2      1.863 CV     1
 ASSI {  304}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.400     2.400     1.600 peak   304 spectrum    1 weight  0.10000E+01 volume  0.48628E-03 ppm1      7.459 ppm2      4.027 CV     1
 ASSI {  305}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.900     1.000     1.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.27913E-02 ppm1      7.458 ppm2      4.614 CV     1
 ASSI {  306}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.800     0.900     0.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.23386E-02 ppm1      7.458 ppm2      4.440 CV     1
 ASSI {  307}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.200     0.600     0.600 peak   307 spectrum    1 weight  0.10000E+01 volume  0.58504E-02 ppm1      7.458 ppm2      7.605 CV     1
 ASSI {  310}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      5.200     3.300     0.800 peak   310 spectrum    1 weight  0.10000E+01 volume  0.32335E-03 ppm1      7.456 ppm2      0.365 CV     1
 ASSI {  311}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.800     2.900     1.200 peak   311 spectrum    1 weight  0.10000E+01 volume  0.24945E-03 ppm1      7.458 ppm2      0.229 CV     1
 ASSI {  312}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.100     1.200     1.200 peak   312 spectrum    1 weight  0.10000E+01 volume  0.41326E-02 ppm1      9.569 ppm2      2.247 CV     1
 ASSI {  313}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.400     0.700     0.700 peak   313 spectrum    1 weight  0.10000E+01 volume  0.41759E-02 ppm1      9.569 ppm2      2.141 CV     1
 ASSI {  314}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.200     2.200     1.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.53020E-03 ppm1      9.568 ppm2      1.941 CV     1
 ASSI {  316}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.600     1.600     1.600 peak   316 spectrum    1 weight  0.10000E+01 volume  0.34626E-03 ppm1      9.567 ppm2      1.628 CV     1
 ASSI {  317}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
      2.800     0.900     0.900 peak   317 spectrum    1 weight  0.10000E+01 volume  0.35690E-02 ppm1      9.568 ppm2      2.484 CV     1
 OR {  317}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI {  318}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.600     2.600     1.400 peak   318 spectrum    1 weight  0.10000E+01 volume  0.43959E-03 ppm1      9.570 ppm2      4.722 CV     1
 ASSI {  320}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.900     1.900     1.900 peak   320 spectrum    1 weight  0.10000E+01 volume  0.14241E-02 ppm1      9.569 ppm2      3.566 CV     1
 ASSI {  321}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.500     0.800     0.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.25203E-02 ppm1      9.569 ppm2      3.096 CV     1
 ASSI {  324}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      4.200     2.200     1.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.55396E-03 ppm1      9.568 ppm2      7.136 CV     1
 ASSI {  325}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.000     1.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.20048E-02 ppm1      9.569 ppm2      8.423 CV     1
 ASSI {  327}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak   327 spectrum    1 weight  0.10000E+01 volume  0.25625E-02 ppm1      9.568 ppm2      7.555 CV     1
 ASSI {  328}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.27545E-02 ppm1      8.575 ppm2      8.761 CV     1
 ASSI {  329}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak   329 spectrum    1 weight  0.10000E+01 volume  0.41217E-02 ppm1      8.576 ppm2      7.439 CV     1
 ASSI {  331}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak   331 spectrum    1 weight  0.10000E+01 volume  0.26144E-02 ppm1      8.576 ppm2      4.450 CV     1
 ASSI {  335}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.600     1.600     1.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.84709E-03 ppm1      8.576 ppm2      2.531 CV     1
 ASSI {  336}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      5.200     3.400     0.800 peak   336 spectrum    1 weight  0.10000E+01 volume  0.36391E-03 ppm1      8.577 ppm2      2.207 CV     1
 ASSI {  337}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.300     1.300     1.300 peak   337 spectrum    1 weight  0.10000E+01 volume  0.14652E-02 ppm1      8.576 ppm2      2.076 CV     1
 ASSI {  338}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      4.500     2.500     1.500 peak   338 spectrum    1 weight  0.10000E+01 volume  0.72323E-03 ppm1      8.576 ppm2      1.018 CV     1
 ASSI {  339}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      5.500     3.700     0.500 peak   339 spectrum    1 weight  0.10000E+01 volume  0.22362E-03 ppm1      8.577 ppm2      3.869 CV     1
 ASSI {  340}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      5.600     3.900     0.400 peak   340 spectrum    1 weight  0.10000E+01 volume  0.37030E-03 ppm1      9.570 ppm2      0.364 CV     1
 ASSI {  341}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      3.800     1.800     1.800 peak   341 spectrum    1 weight  0.10000E+01 volume  0.24555E-02 ppm1      8.470 ppm2      0.944 CV     1
 ASSI {  342}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.600     0.800     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.44705E-02 ppm1      8.469 ppm2      2.126 CV     1
 ASSI {  343}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      3.900     1.900     1.900 peak   343 spectrum    1 weight  0.10000E+01 volume  0.70455E-03 ppm1      8.471 ppm2      1.627 CV     1
 ASSI {  344}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.31465E-02 ppm1      8.470 ppm2      3.765 CV     1
 ASSI {  345}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.000     1.100     1.100 peak   345 spectrum    1 weight  0.10000E+01 volume  0.18123E-02 ppm1      8.470 ppm2      4.823 CV     1
 ASSI {  347}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      4.700     2.700     1.300 peak   347 spectrum    1 weight  0.10000E+01 volume  0.42103E-03 ppm1      8.469 ppm2      7.491 CV     1
 ASSI {  350}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.600     2.700     1.400 peak   350 spectrum    1 weight  0.10000E+01 volume  0.52611E-03 ppm1      8.466 ppm2      7.215 CV     1
 ASSI {  351}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   351 spectrum    1 weight  0.10000E+01 volume  0.15229E-02 ppm1      8.463 ppm2      4.720 CV     1
 ASSI {  352}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.200     0.600     0.600 peak   352 spectrum    1 weight  0.10000E+01 volume  0.83754E-02 ppm1      8.463 ppm2      4.319 CV     1
 ASSI {  354}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD1 ))
      4.700     2.800     1.300 peak   354 spectrum    1 weight  0.10000E+01 volume  0.51766E-03 ppm1      8.461 ppm2      3.443 CV     1
 ASSI {  355}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD2 ))
      4.900     3.000     1.100 peak   355 spectrum    1 weight  0.10000E+01 volume  0.55476E-03 ppm1      8.461 ppm2      3.346 CV     1
 ASSI {  356}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.300     1.300     1.300 peak   356 spectrum    1 weight  0.10000E+01 volume  0.99849E-03 ppm1      8.463 ppm2      3.081 CV     1
 ASSI {  358}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.500     1.600     1.600 peak   358 spectrum    1 weight  0.10000E+01 volume  0.22952E-02 ppm1      8.463 ppm2      1.412 CV     1
 ASSI {  360}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.900     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.19631E-02 ppm1      8.463 ppm2      2.181 CV     1
 ASSI {  361}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      3.300     1.400     1.400 peak   361 spectrum    1 weight  0.10000E+01 volume  0.30284E-02 ppm1      8.463 ppm2      1.938 CV     1
 ASSI {  362}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.600     0.800     0.800 peak   362 spectrum    1 weight  0.10000E+01 volume  0.34500E-02 ppm1      8.463 ppm2      1.846 CV     1
 ASSI {  363}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.700     1.700     1.700 peak   363 spectrum    1 weight  0.10000E+01 volume  0.16924E-02 ppm1      8.463 ppm2      1.618 CV     1
 ASSI {  365}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.000     1.100     1.100 peak   365 spectrum    1 weight  0.10000E+01 volume  0.82621E-03 ppm1      7.828 ppm2      1.856 CV     1
 ASSI {  366}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.900     1.900     1.900 peak   366 spectrum    1 weight  0.10000E+01 volume  0.12695E-02 ppm1      7.826 ppm2      1.606 CV     1
 ASSI {  370}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.500     0.800     0.800 peak   370 spectrum    1 weight  0.10000E+01 volume  0.40469E-02 ppm1      7.828 ppm2      2.462 CV     1
 ASSI {  371}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.23309E-02 ppm1      7.827 ppm2      2.278 CV     1
 ASSI {  374}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      4.200     2.200     1.800 peak   374 spectrum    1 weight  0.10000E+01 volume  0.29091E-03 ppm1      7.828 ppm2      4.621 CV     1
 ASSI {  375}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.20788E-02 ppm1      7.828 ppm2      8.997 CV     1
 ASSI {  376}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.600     1.600     1.600 peak   376 spectrum    1 weight  0.10000E+01 volume  0.88221E-03 ppm1      7.827 ppm2      7.483 CV     1
 ASSI {  377}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.35037E-02 ppm1      7.827 ppm2      7.740 CV     1
 ASSI {  378}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.700     0.900     0.900 peak   378 spectrum    1 weight  0.10000E+01 volume  0.31485E-02 ppm1      7.768 ppm2      7.950 CV     1
 ASSI {  379}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.500     0.800     0.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.41931E-02 ppm1      7.769 ppm2      7.856 CV     1
 ASSI {  383}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.600     1.600     1.600 peak   383 spectrum    1 weight  0.10000E+01 volume  0.12580E-02 ppm1      7.768 ppm2      2.528 CV     1
 ASSI {  384}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG2 ))
      4.000     2.000     2.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.78723E-03 ppm1      7.768 ppm2      2.444 CV     1
 ASSI {  385}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.300     1.400     1.400 peak   385 spectrum    1 weight  0.10000E+01 volume  0.15548E-02 ppm1      7.768 ppm2      2.271 CV     1
 ASSI {  386}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.700     0.900     0.900 peak   386 spectrum    1 weight  0.10000E+01 volume  0.36181E-02 ppm1      7.768 ppm2      2.117 CV     1
 ASSI {  389}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.600     0.800     0.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.27542E-02 ppm1      7.609 ppm2      8.072 CV     1
 ASSI {  393}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.600     0.800     0.800 peak   393 spectrum    1 weight  0.10000E+01 volume  0.32136E-02 ppm1      7.610 ppm2      1.863 CV     1
 ASSI {  394}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.200     1.300     1.300 peak   394 spectrum    1 weight  0.10000E+01 volume  0.27052E-02 ppm1      7.610 ppm2      1.746 CV     1
 OR {  394}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  397}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      3.300     1.400     1.400 peak   397 spectrum    1 weight  0.10000E+01 volume  0.18638E-02 ppm1      7.609 ppm2      3.912 CV     1
 ASSI {  398}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.28004E-02 ppm1      7.611 ppm2      4.616 CV     1
 ASSI {  399}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD2 ))
      4.700     2.800     1.300 peak   399 spectrum    1 weight  0.10000E+01 volume  0.41607E-03 ppm1      7.610 ppm2      3.267 CV     1
 OR {  399}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI {  400}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      5.100     3.200     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.33414E-03 ppm1      7.611 ppm2      1.402 CV     1
 ASSI {  401}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      5.900     4.300     0.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.26200E-03 ppm1      7.613 ppm2      2.376 CV     1
 ASSI {  403}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      4.000     2.000     2.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.43800E-03 ppm1      8.997 ppm2      7.728 CV     1
 ASSI {  404}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.200     2.200     1.800 peak   404 spectrum    1 weight  0.10000E+01 volume  0.34747E-03 ppm1      8.998 ppm2      5.040 CV     1
 ASSI {  405}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      4.700     2.700     1.300 peak   405 spectrum    1 weight  0.10000E+01 volume  0.30631E-03 ppm1      9.000 ppm2      4.936 CV     1
 ASSI {  406}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.400     1.400     1.400 peak   406 spectrum    1 weight  0.10000E+01 volume  0.14944E-02 ppm1      8.996 ppm2      3.310 CV     1
 ASSI {  407}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      5.100     3.200     0.900 peak   407 spectrum    1 weight  0.10000E+01 volume  0.36014E-03 ppm1      8.998 ppm2      3.020 CV     1
 ASSI {  409}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      2.900     1.100     1.100 peak   409 spectrum    1 weight  0.10000E+01 volume  0.15764E-02 ppm1      8.999 ppm2      4.613 CV     1
 ASSI {  411}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.900     1.900     1.900 peak   411 spectrum    1 weight  0.10000E+01 volume  0.11400E-02 ppm1      8.999 ppm2      4.035 CV     1
 ASSI {  414}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.600     0.800     0.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.15843E-02 ppm1      8.998 ppm2      2.022 CV     1
 ASSI {  415}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.600     0.800     0.800 peak   415 spectrum    1 weight  0.10000E+01 volume  0.32560E-02 ppm1      8.998 ppm2      1.859 CV     1
 ASSI {  416}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.400     0.700     0.700 peak   416 spectrum    1 weight  0.10000E+01 volume  0.35246E-02 ppm1      8.998 ppm2      1.617 CV     1
 ASSI {  419}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.600     2.700     1.400 peak   419 spectrum    1 weight  0.10000E+01 volume  0.60512E-03 ppm1      8.995 ppm2      0.786 CV     1
 ASSI {  422}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.300     1.300     1.300 peak   422 spectrum    1 weight  0.10000E+01 volume  0.11595E-02 ppm1      8.876 ppm2      0.789 CV     1
 ASSI {  423}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      4.300     2.300     1.700 peak   423 spectrum    1 weight  0.10000E+01 volume  0.37456E-03 ppm1      8.875 ppm2      0.612 CV     1
 ASSI {  424}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.400     0.700     0.700 peak   424 spectrum    1 weight  0.10000E+01 volume  0.45330E-02 ppm1      8.876 ppm2      1.935 CV     1
 ASSI {  425}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
      3.500     1.500     1.500 peak   425 spectrum    1 weight  0.10000E+01 volume  0.71357E-03 ppm1      8.876 ppm2      1.725 CV     1
 ASSI {  427}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      5.200     3.300     0.800 peak   427 spectrum    1 weight  0.10000E+01 volume  0.35123E-03 ppm1      8.875 ppm2      1.279 CV     1
 ASSI {  428}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   428 spectrum    1 weight  0.10000E+01 volume  0.30030E-02 ppm1      8.875 ppm2      4.904 CV     1
 ASSI {  429}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak   429 spectrum    1 weight  0.10000E+01 volume  0.15068E-02 ppm1      8.875 ppm2      4.488 CV     1
 ASSI {  430}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.300     2.300     1.700 peak   430 spectrum    1 weight  0.10000E+01 volume  0.35432E-03 ppm1      8.878 ppm2      4.277 CV     1
 ASSI {  432}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.700     1.700     1.700 peak   432 spectrum    1 weight  0.10000E+01 volume  0.65065E-03 ppm1      8.876 ppm2      3.896 CV     1
 ASSI {  433}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.300     1.400     1.400 peak   433 spectrum    1 weight  0.10000E+01 volume  0.11176E-02 ppm1      8.876 ppm2      3.742 CV     1
 ASSI {  434}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.100     1.200     1.200 peak   434 spectrum    1 weight  0.10000E+01 volume  0.50809E-02 ppm1      8.876 ppm2      3.090 CV     1
 ASSI {  435}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.500     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.29475E-02 ppm1      8.875 ppm2      2.772 CV     1
 ASSI {  437}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      4.000     2.000     2.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.53511E-03 ppm1      8.875 ppm2      7.588 CV     1
 ASSI {  439}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.800     1.800     1.800 peak   439 spectrum    1 weight  0.10000E+01 volume  0.62386E-03 ppm1      8.875 ppm2      7.999 CV     1
 ASSI {  441}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak   441 spectrum    1 weight  0.10000E+01 volume  0.41367E-02 ppm1      8.875 ppm2      8.290 CV     1
 ASSI {  444}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      3.500     1.500     1.500 peak   444 spectrum    1 weight  0.10000E+01 volume  0.15169E-02 ppm1      8.669 ppm2      1.656 CV     1
 ASSI {  445}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.500     1.600     1.600 peak   445 spectrum    1 weight  0.10000E+01 volume  0.21592E-02 ppm1      8.676 ppm2      1.550 CV     1
 ASSI {  446}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.600     0.900     0.900 peak   446 spectrum    1 weight  0.10000E+01 volume  0.44182E-02 ppm1      8.676 ppm2      2.769 CV     1
 ASSI {  448}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.400     0.700     0.700 peak   448 spectrum    1 weight  0.10000E+01 volume  0.38613E-02 ppm1      8.676 ppm2      2.178 CV     1
 ASSI {  449}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.27518E-02 ppm1      8.667 ppm2      4.276 CV     1
 ASSI {  450}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak   450 spectrum    1 weight  0.10000E+01 volume  0.89429E-03 ppm1      8.678 ppm2      3.887 CV     1
 ASSI {  451}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.900     1.900     1.900 peak   451 spectrum    1 weight  0.10000E+01 volume  0.58509E-03 ppm1      8.676 ppm2      3.606 CV     1
 ASSI {  453}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.700     0.900     0.900 peak   453 spectrum    1 weight  0.10000E+01 volume  0.33411E-02 ppm1      8.677 ppm2      4.484 CV     1
 ASSI {  454}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.700     1.700     1.700 peak   454 spectrum    1 weight  0.10000E+01 volume  0.11467E-02 ppm1      8.664 ppm2      4.183 CV     1
 ASSI {  455}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.600     1.600     1.600 peak   455 spectrum    1 weight  0.10000E+01 volume  0.63256E-03 ppm1      8.668 ppm2      4.385 CV     1
 ASSI {  456}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.34533E-02 ppm1      8.677 ppm2      7.995 CV     1
 ASSI {  457}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.28524E-02 ppm1      8.677 ppm2      8.734 CV     1
 ASSI {  458}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   458 spectrum    1 weight  0.10000E+01 volume  0.33576E-02 ppm1      8.328 ppm2      8.487 CV     1
 ASSI {  459}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.800     0.900     0.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.29409E-02 ppm1      8.328 ppm2      8.723 CV     1
 ASSI {  460}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.700     0.900     0.900 peak   460 spectrum    1 weight  0.10000E+01 volume  0.29350E-02 ppm1      8.327 ppm2      4.411 CV     1
 ASSI {  461}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.000     2.000     2.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.77896E-03 ppm1      8.327 ppm2      4.321 CV     1
 ASSI {  462}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.400     1.400     1.400 peak   462 spectrum    1 weight  0.10000E+01 volume  0.11613E-02 ppm1      8.328 ppm2      4.232 CV     1
 ASSI {  463}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.28248E-02 ppm1      8.330 ppm2      3.945 CV     1
 ASSI {  464}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      3.900     1.900     1.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.10640E-02 ppm1      8.328 ppm2      1.534 CV     1
 ASSI {  466}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.400     2.400     1.600 peak   466 spectrum    1 weight  0.10000E+01 volume  0.45029E-03 ppm1      8.331 ppm2      2.588 CV     1
 ASSI {  467}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      4.700     2.800     1.300 peak   467 spectrum    1 weight  0.10000E+01 volume  0.49848E-03 ppm1      8.329 ppm2      2.452 CV     1
 ASSI {  468}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.800     1.000     1.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.17908E-02 ppm1      8.327 ppm2      2.336 CV     1
 ASSI {  469}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.800     1.800     1.800 peak   469 spectrum    1 weight  0.10000E+01 volume  0.16099E-02 ppm1      8.329 ppm2      2.201 CV     1
 ASSI {  471}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.700     1.700     1.700 peak   471 spectrum    1 weight  0.10000E+01 volume  0.95452E-03 ppm1      7.551 ppm2      8.453 CV     1
 ASSI {  473}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.300     1.300 peak   473 spectrum    1 weight  0.10000E+01 volume  0.17006E-02 ppm1      7.554 ppm2      4.360 CV     1
 ASSI {  474}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   474 spectrum    1 weight  0.10000E+01 volume  0.19888E-02 ppm1      7.555 ppm2      4.810 CV     1
 ASSI {  476}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.700     0.900     0.900 peak   476 spectrum    1 weight  0.10000E+01 volume  0.38072E-02 ppm1      7.554 ppm2      3.081 CV     1
 ASSI {  478}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.700     1.700     1.700 peak   478 spectrum    1 weight  0.10000E+01 volume  0.11908E-02 ppm1      7.550 ppm2      2.250 CV     1
 ASSI {  479}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.000     1.100     1.100 peak   479 spectrum    1 weight  0.10000E+01 volume  0.16484E-02 ppm1      7.554 ppm2      2.154 CV     1
 ASSI {  480}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.600     2.700     1.400 peak   480 spectrum    1 weight  0.10000E+01 volume  0.40086E-03 ppm1      7.553 ppm2      1.936 CV     1
 ASSI {  482}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
      3.800     1.800     1.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.15256E-02 ppm1      7.554 ppm2      2.484 CV     1
 OR {  482}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI {  483}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.000     2.000     2.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.65693E-03 ppm1      7.556 ppm2      1.534 CV     1
 ASSI {  486}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      3.900     1.900     1.900 peak   486 spectrum    1 weight  0.10000E+01 volume  0.15805E-02 ppm1      7.519 ppm2      0.459 CV     1
 ASSI {  487}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      3.400     1.400     1.400 peak   487 spectrum    1 weight  0.10000E+01 volume  0.40230E-02 ppm1      7.520 ppm2      1.198 CV     1
 ASSI {  488}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.900     0.900 peak   488 spectrum    1 weight  0.10000E+01 volume  0.22983E-02 ppm1      7.517 ppm2      1.032 CV     1
 ASSI {  489}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.400     0.700     0.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.52591E-02 ppm1      7.518 ppm2      1.628 CV     1
 ASSI {  491}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.700     1.700     1.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.65800E-03 ppm1      7.517 ppm2      3.021 CV     1
 ASSI {  492}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.800     2.800     1.200 peak   492 spectrum    1 weight  0.10000E+01 volume  0.98287E-03 ppm1      7.516 ppm2      4.841 CV     1
 ASSI {  493}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.700     1.700     1.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.76286E-03 ppm1      7.520 ppm2      4.738 CV     1
 ASSI {  494}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      2.900     1.100     1.100 peak   494 spectrum    1 weight  0.10000E+01 volume  0.16540E-02 ppm1      7.517 ppm2      7.319 CV     1
 ASSI {  498}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.300     0.700     0.700 peak   498 spectrum    1 weight  0.10000E+01 volume  0.52752E-02 ppm1      7.440 ppm2      8.224 CV     1
 ASSI {  501}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.700     1.700     1.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.73660E-03 ppm1      7.440 ppm2      4.445 CV     1
 ASSI {  502}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.600     0.800     0.800 peak   502 spectrum    1 weight  0.10000E+01 volume  0.35182E-02 ppm1      7.440 ppm2      3.871 CV     1
 ASSI {  504}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.700     1.700     1.700 peak   504 spectrum    1 weight  0.10000E+01 volume  0.88210E-03 ppm1      7.439 ppm2      2.829 CV     1
 ASSI {  505}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.400     1.400     1.400 peak   505 spectrum    1 weight  0.10000E+01 volume  0.93423E-03 ppm1      7.441 ppm2      2.736 CV     1
 ASSI {  507}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      2.200     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.68211E-02 ppm1      7.440 ppm2      2.216 CV     1
 ASSI {  508}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.600     0.800     0.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.17378E-02 ppm1      7.440 ppm2      2.075 CV     1
 ASSI {  509}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      2.400     0.700     0.700 peak   509 spectrum    1 weight  0.10000E+01 volume  0.62815E-02 ppm1      7.440 ppm2      1.019 CV     1
 ASSI {  510}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      4.500     2.500     1.500 peak   510 spectrum    1 weight  0.10000E+01 volume  0.73263E-03 ppm1      7.440 ppm2      1.408 CV     1
 ASSI {  511}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HD2 ))
      5.200     3.400     0.800 peak   511 spectrum    1 weight  0.10000E+01 volume  0.21346E-03 ppm1      7.438 ppm2      3.566 CV     1
 ASSI {  512}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HD1 ))
      3.700     1.700     1.700 peak   512 spectrum    1 weight  0.10000E+01 volume  0.21764E-03 ppm1      7.555 ppm2      3.447 CV     1
 ASSI {  515}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.34152E-02 ppm1      8.903 ppm2      8.439 CV     1
 ASSI {  516}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.300     1.400     1.400 peak   516 spectrum    1 weight  0.10000E+01 volume  0.19531E-02 ppm1      8.904 ppm2      4.282 CV     1
 ASSI {  519}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.500     1.500     1.500 peak   519 spectrum    1 weight  0.10000E+01 volume  0.29020E-02 ppm1      8.903 ppm2      2.468 CV     1
 ASSI {  520}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.200     1.300     1.300 peak   520 spectrum    1 weight  0.10000E+01 volume  0.43087E-02 ppm1      8.904 ppm2      2.345 CV     1
 ASSI {  522}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.300     0.700     0.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.36447E-02 ppm1      8.903 ppm2      2.742 CV     1
 ASSI {  523}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      4.200     2.200     1.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.66912E-03 ppm1      8.903 ppm2      2.041 CV     1
 ASSI {  524}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.800     2.900     1.200 peak   524 spectrum    1 weight  0.10000E+01 volume  0.43279E-03 ppm1      8.904 ppm2      1.645 CV     1
 ASSI {  526}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.800     0.900     0.900 peak   526 spectrum    1 weight  0.10000E+01 volume  0.13048E-02 ppm1      8.903 ppm2      1.440 CV     1
 ASSI {  528}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      5.200     3.400     0.800 peak   528 spectrum    1 weight  0.10000E+01 volume  0.39980E-03 ppm1      8.902 ppm2      0.938 CV     1
 ASSI {  530}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   530 spectrum    1 weight  0.10000E+01 volume  0.45055E-02 ppm1      8.393 ppm2      7.707 CV     1
 ASSI {  531}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.18909E-02 ppm1      8.393 ppm2      8.464 CV     1
 ASSI {  534}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.100     2.100     1.900 peak   534 spectrum    1 weight  0.10000E+01 volume  0.44306E-03 ppm1      8.392 ppm2      4.029 CV     1
 ASSI {  539}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      3.900     1.900     1.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.13038E-02 ppm1      8.395 ppm2      0.763 CV     1
 ASSI {  541}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      2.500     0.800     0.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.40530E-02 ppm1      8.395 ppm2      1.667 CV     1
 ASSI {  542}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.000     1.100     1.100 peak   542 spectrum    1 weight  0.10000E+01 volume  0.48738E-02 ppm1      8.394 ppm2      1.986 CV     1
 ASSI {  546}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak   546 spectrum    1 weight  0.10000E+01 volume  0.19282E-02 ppm1      8.835 ppm2      1.564 CV     1
 ASSI {  547}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.400     1.400     1.400 peak   547 spectrum    1 weight  0.10000E+01 volume  0.14166E-02 ppm1      8.837 ppm2      1.392 CV     1
 ASSI {  552}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.200     0.600     0.600 peak   552 spectrum    1 weight  0.10000E+01 volume  0.87512E-02 ppm1      8.836 ppm2      2.047 CV     1
 OR {  552}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  553}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.400     1.400     1.400 peak   553 spectrum    1 weight  0.10000E+01 volume  0.10678E-02 ppm1      8.835 ppm2      1.897 CV     1
 ASSI {  555}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.500     0.800     0.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.28415E-02 ppm1      8.836 ppm2      2.324 CV     1
 ASSI {  556}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak   556 spectrum    1 weight  0.10000E+01 volume  0.53671E-03 ppm1      8.835 ppm2      3.865 CV     1
 ASSI {  557}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.900     0.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.31505E-02 ppm1      8.835 ppm2      3.528 CV     1
 ASSI {  558}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
      5.000     3.100     1.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.54451E-03 ppm1      8.836 ppm2      3.213 CV     1
 OR {  558}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  560}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak   560 spectrum    1 weight  0.10000E+01 volume  0.18493E-02 ppm1      8.835 ppm2      4.621 CV     1
 ASSI {  562}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
      3.900     1.900     1.900 peak   562 spectrum    1 weight  0.10000E+01 volume  0.10400E-02 ppm1      8.835 ppm2      7.218 CV     1
 ASSI {  563}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   563 spectrum    1 weight  0.10000E+01 volume  0.42857E-02 ppm1      8.836 ppm2      8.062 CV     1
 ASSI {  568}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.100     1.200     1.200 peak   568 spectrum    1 weight  0.10000E+01 volume  0.44468E-02 ppm1      7.709 ppm2      2.025 CV     1
 OR {  568}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  569}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.000     1.100     1.100 peak   569 spectrum    1 weight  0.10000E+01 volume  0.94556E-03 ppm1      7.710 ppm2      1.915 CV     1
 ASSI {  570}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.200     1.200 peak   570 spectrum    1 weight  0.10000E+01 volume  0.14917E-02 ppm1      7.709 ppm2      4.208 CV     1
 ASSI {  572}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   572 spectrum    1 weight  0.10000E+01 volume  0.35726E-02 ppm1      7.710 ppm2      4.390 CV     1
 ASSI {  575}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      5.000     3.100     1.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.31533E-03 ppm1      7.708 ppm2      4.549 CV     1
 ASSI {  576}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      3.600     1.600     1.600 peak   576 spectrum    1 weight  0.10000E+01 volume  0.10368E-02 ppm1      8.278 ppm2      1.057 CV     1
 OR {  576}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  583}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      3.200     1.300     1.300 peak   583 spectrum    1 weight  0.10000E+01 volume  0.29667E-02 ppm1      8.286 ppm2      1.275 CV     1
 ASSI {  587}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.600     0.800     0.800 peak   587 spectrum    1 weight  0.10000E+01 volume  0.47423E-02 ppm1      8.143 ppm2      2.197 CV     1
 ASSI {  588}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.600     0.800     0.800 peak   588 spectrum    1 weight  0.10000E+01 volume  0.40018E-02 ppm1      8.143 ppm2      2.013 CV     1
 OR {  588}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI {  590}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      2.700     0.900     0.900 peak   590 spectrum    1 weight  0.10000E+01 volume  0.47114E-02 ppm1      8.142 ppm2      1.650 CV     1
 ASSI {  593}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.200     1.200     1.200 peak   593 spectrum    1 weight  0.10000E+01 volume  0.53596E-02 ppm1      8.271 ppm2      2.011 CV     1
 ASSI {  598}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.400     0.700     0.700 peak   598 spectrum    1 weight  0.10000E+01 volume  0.85885E-02 ppm1      8.240 ppm2      2.711 CV     1
 OR {  598}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  602}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak   602 spectrum    1 weight  0.10000E+01 volume  0.91071E-03 ppm1      8.284 ppm2      3.892 CV     1
 ASSI {  607}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.39643E-02 ppm1      8.143 ppm2      4.244 CV     1
 ASSI {  609}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak   609 spectrum    1 weight  0.10000E+01 volume  0.16839E-02 ppm1      8.265 ppm2      4.905 CV     1
 ASSI {  610}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      3.200     1.200     1.200 peak   610 spectrum    1 weight  0.10000E+01 volume  0.15997E-02 ppm1      8.241 ppm2      4.856 CV     1
 ASSI {  611}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.29876E-02 ppm1      8.240 ppm2      4.619 CV     1
 ASSI {  614}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.42351E-02 ppm1      8.286 ppm2      7.995 CV     1
 ASSI {  616}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   616 spectrum    1 weight  0.10000E+01 volume  0.33454E-02 ppm1      8.211 ppm2      8.721 CV     1
 ASSI {  617}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.900     0.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.32408E-02 ppm1      8.143 ppm2      8.438 CV     1
 ASSI {  620}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      4.800     2.900     1.200 peak   620 spectrum    1 weight  0.10000E+01 volume  0.38613E-03 ppm1      8.279 ppm2      3.090 CV     1
 ASSI {  621}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HD2 ))
      4.900     3.000     1.100 peak   621 spectrum    1 weight  0.10000E+01 volume  0.36694E-03 ppm1      8.144 ppm2      3.296 CV     1
 ASSI {  627}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.28680E-02 ppm1      8.496 ppm2      4.467 CV     1
 ASSI {  628}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.600     0.800     0.800 peak   628 spectrum    1 weight  0.10000E+01 volume  0.38474E-02 ppm1      8.488 ppm2      4.232 CV     1
 ASSI {  629}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.700     0.900     0.900 peak   629 spectrum    1 weight  0.10000E+01 volume  0.56953E-02 ppm1      8.497 ppm2      4.064 CV     1
 OR {  629}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {  632}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.900     1.000     1.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.38132E-02 ppm1      8.496 ppm2      2.064 CV     1
 ASSI {  637}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.200     1.300     1.300 peak   637 spectrum    1 weight  0.10000E+01 volume  0.16156E-02 ppm1      8.483 ppm2      4.307 CV     1
 ASSI {  640}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.800     1.800     1.800 peak   640 spectrum    1 weight  0.10000E+01 volume  0.25262E-02 ppm1      8.459 ppm2      1.031 CV     1
 ASSI {  641}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      3.900     1.900     1.900 peak   641 spectrum    1 weight  0.10000E+01 volume  0.73795E-03 ppm1      8.460 ppm2      0.790 CV     1
 ASSI {  643}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.400     0.700     0.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.52394E-02 ppm1      8.463 ppm2      2.270 CV     1
 ASSI {  644}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.900     1.000     1.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.19002E-02 ppm1      8.460 ppm2      1.990 CV     1
 ASSI {  658}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak   658 spectrum    1 weight  0.10000E+01 volume  0.36136E-02 ppm1      7.886 ppm2      8.059 CV     1
 ASSI {  659}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.25068E-02 ppm1      7.886 ppm2      8.234 CV     1
 ASSI {  660}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.400     1.400     1.400 peak   660 spectrum    1 weight  0.10000E+01 volume  0.95334E-03 ppm1      7.887 ppm2      9.054 CV     1
 ASSI {  661}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.700     1.700     1.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.77005E-03 ppm1      7.885 ppm2      4.613 CV     1
 ASSI {  667}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      5.300     3.500     0.700 peak   667 spectrum    1 weight  0.10000E+01 volume  0.33630E-03 ppm1      7.885 ppm2      0.621 CV     1
 ASSI {  669}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      4.400     2.400     1.600 peak   669 spectrum    1 weight  0.10000E+01 volume  0.42619E-03 ppm1      7.886 ppm2      4.849 CV     1
 ASSI {  672}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.400     0.700     0.700 peak   672 spectrum    1 weight  0.10000E+01 volume  0.50852E-02 ppm1      7.731 ppm2      2.431 CV     1
 ASSI {  675}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      4.600     2.700     1.400 peak   675 spectrum    1 weight  0.10000E+01 volume  0.44735E-03 ppm1      7.731 ppm2      2.177 CV     1
 ASSI {  677}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.31765E-02 ppm1      7.732 ppm2      8.732 CV     1
 ASSI {  683}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG2 ))
      4.400     2.400     1.600 peak   683 spectrum    1 weight  0.10000E+01 volume  0.76984E-03 ppm1      6.894 ppm2      1.521 CV     1
 ASSI {  687}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.400     1.400     1.400 peak   687 spectrum    1 weight  0.10000E+01 volume  0.33372E-02 ppm1      9.143 ppm2      2.995 CV     1
 ASSI {  690}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.99656E-03 ppm1      9.143 ppm2      2.469 CV     1
 ASSI {  698}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.600     1.600     1.600 peak   698 spectrum    1 weight  0.10000E+01 volume  0.67373E-03 ppm1      8.735 ppm2      4.287 CV     1
 ASSI {  701}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.400     0.700     0.700 peak   701 spectrum    1 weight  0.10000E+01 volume  0.26591E-02 ppm1      8.735 ppm2      2.428 CV     1
 ASSI {  706}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.600     1.600     1.600 peak   706 spectrum    1 weight  0.10000E+01 volume  0.12419E-02 ppm1      8.736 ppm2      1.047 CV     1
 ASSI {  710}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      5.000     3.100     1.000 peak   710 spectrum    1 weight  0.10000E+01 volume  0.48137E-03 ppm1      8.456 ppm2      0.356 CV     1
 ASSI {  711}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      5.100     3.300     0.900 peak   711 spectrum    1 weight  0.10000E+01 volume  0.47889E-03 ppm1      8.455 ppm2      0.232 CV     1
 ASSI {  712}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.600     0.800     0.800 peak   712 spectrum    1 weight  0.10000E+01 volume  0.51150E-02 ppm1      8.454 ppm2      1.540 CV     1
 ASSI {  716}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak   716 spectrum    1 weight  0.10000E+01 volume  0.42252E-02 ppm1      7.954 ppm2      8.262 CV     1
 ASSI {  721}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak   721 spectrum    1 weight  0.10000E+01 volume  0.18944E-02 ppm1      8.037 ppm2      4.587 CV     1
 ASSI {  724}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak   724 spectrum    1 weight  0.10000E+01 volume  0.14118E-02 ppm1      8.032 ppm2      4.360 CV     1
 ASSI {  725}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     3.100     2.900 peak   725 spectrum    1 weight  0.10000E+01 volume  0.56861E-03 ppm1      7.955 ppm2      4.906 CV     1
 ASSI {  726}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.800     1.800     1.800 peak   726 spectrum    1 weight  0.10000E+01 volume  0.54622E-03 ppm1      7.956 ppm2      4.459 CV     1
 ASSI {  729}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
      3.600     1.600     1.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.79453E-03 ppm1      7.953 ppm2      4.032 CV     1
 OR {  729}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
 ASSI {  730}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.100     1.200     1.200 peak   730 spectrum    1 weight  0.10000E+01 volume  0.22444E-02 ppm1      8.050 ppm2      3.868 CV     1
 ASSI {  731}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.900     1.100     1.100 peak   731 spectrum    1 weight  0.10000E+01 volume  0.28492E-02 ppm1      8.060 ppm2      3.027 CV     1
 ASSI {  732}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.900     0.900 peak   732 spectrum    1 weight  0.10000E+01 volume  0.18941E-02 ppm1      8.033 ppm2      2.805 CV     1
 ASSI {  734}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.19565E-02 ppm1      8.061 ppm2      2.690 CV     1
 ASSI {  736}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      4.300     2.300     1.700 peak   736 spectrum    1 weight  0.10000E+01 volume  0.79158E-03 ppm1      8.061 ppm2      1.894 CV     1
 ASSI {  738}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.400     1.500     1.500 peak   738 spectrum    1 weight  0.10000E+01 volume  0.22592E-02 ppm1      7.954 ppm2      2.001 CV     1
 ASSI {  741}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      4.400     2.400     1.600 peak   741 spectrum    1 weight  0.10000E+01 volume  0.59299E-03 ppm1      8.062 ppm2      1.665 CV     1
 ASSI {  747}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      4.000     2.000     2.000 peak   747 spectrum    1 weight  0.10000E+01 volume  0.10141E-02 ppm1      8.061 ppm2      0.628 CV     1
 OR {  747}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  751}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      4.300     2.300     1.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.81450E-03 ppm1      8.487 ppm2      1.238 CV     1
 ASSI {  752}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.800     1.000     1.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.42337E-02 ppm1      8.485 ppm2      2.827 CV     1
 OR {  752}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  755}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.900     1.900     1.900 peak   755 spectrum    1 weight  0.10000E+01 volume  0.10863E-02 ppm1      8.489 ppm2      4.367 CV     1
 ASSI {  756}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak   756 spectrum    1 weight  0.10000E+01 volume  0.19916E-02 ppm1      8.483 ppm2      4.721 CV     1
 ASSI {  757}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   757 spectrum    1 weight  0.10000E+01 volume  0.18525E-02 ppm1      8.484 ppm2      8.237 CV     1
 ASSI {  758}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.200     0.600     0.600 peak   758 spectrum    1 weight  0.10000E+01 volume  0.47390E-02 ppm1      8.039 ppm2      7.518 CV     1
 ASSI {  759}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      2.500     0.800     0.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.49750E-02 ppm1      8.040 ppm2      7.309 CV     1
 ASSI {  761}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.300     0.700     0.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.55530E-02 ppm1      8.039 ppm2      4.840 CV     1
 ASSI {  762}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.000     1.100     1.100 peak   762 spectrum    1 weight  0.10000E+01 volume  0.12626E-02 ppm1      8.039 ppm2      4.743 CV     1
 ASSI {  763}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak   763 spectrum    1 weight  0.10000E+01 volume  0.13736E-02 ppm1      8.039 ppm2      3.297 CV     1
 ASSI {  764}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.300     2.300     1.700 peak   764 spectrum    1 weight  0.10000E+01 volume  0.69564E-03 ppm1      8.042 ppm2      2.889 CV     1
 ASSI {  766}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      5.100     3.200     0.900 peak   766 spectrum    1 weight  0.10000E+01 volume  0.59524E-03 ppm1      8.036 ppm2      1.206 CV     1
 ASSI {  767}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      6.000     4.900     0.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.19914E-03 ppm1      8.036 ppm2      0.460 CV     1
 ASSI {  768}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      4.600     2.600     1.400 peak   768 spectrum    1 weight  0.10000E+01 volume  0.44028E-03 ppm1      8.042 ppm2      1.632 CV     1
 ASSI {  769}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak   769 spectrum    1 weight  0.10000E+01 volume  0.26764E-02 ppm1      7.213 ppm2      1.409 CV     1
 ASSI {  771}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.000     1.100     1.100 peak   771 spectrum    1 weight  0.10000E+01 volume  0.20214E-02 ppm1      7.212 ppm2      0.956 CV     1
 ASSI {  772}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.100     2.100     1.900 peak   772 spectrum    1 weight  0.10000E+01 volume  0.71282E-03 ppm1      7.213 ppm2      2.353 CV     1
 ASSI {  774}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      2.700     0.900     0.900 peak   774 spectrum    1 weight  0.10000E+01 volume  0.83721E-02 ppm1      7.212 ppm2      1.776 CV     1
 OR {  774}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  777}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      3.800     1.800     1.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.34722E-03 ppm1      7.212 ppm2      2.831 CV     1
 ASSI {  778}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.400     1.400 peak   778 spectrum    1 weight  0.10000E+01 volume  0.14982E-02 ppm1      7.214 ppm2      5.045 CV     1
 ASSI {  779}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.500     1.500     1.500 peak   779 spectrum    1 weight  0.10000E+01 volume  0.72044E-03 ppm1      7.213 ppm2      4.735 CV     1
 ASSI {  781}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak   781 spectrum    1 weight  0.10000E+01 volume  0.28292E-02 ppm1      7.214 ppm2      4.321 CV     1
 ASSI {  783}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.300     0.700     0.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.51498E-02 ppm1      7.214 ppm2      8.056 CV     1
 ASSI {  786}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      5.000     3.100     1.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.22679E-03 ppm1      8.763 ppm2      7.440 CV     1
 ASSI {  789}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.000     1.100     1.100 peak   789 spectrum    1 weight  0.10000E+01 volume  0.30111E-02 ppm1      8.762 ppm2      2.746 CV     1
 ASSI {  791}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.100     2.100     1.900 peak   791 spectrum    1 weight  0.10000E+01 volume  0.84301E-03 ppm1      8.762 ppm2      2.084 CV     1
 ASSI {  794}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HD2 ))
      5.900     4.400     0.100 peak   794 spectrum    1 weight  0.10000E+01 volume  0.12350E-03 ppm1      8.763 ppm2      3.577 CV     1
 ASSI {  795}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak   795 spectrum    1 weight  0.10000E+01 volume  0.14424E-02 ppm1      8.661 ppm2      8.564 CV     1
 ASSI {  796}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.900     1.900     1.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.76286E-03 ppm1      8.660 ppm2      8.038 CV     1
 ASSI {  798}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.100     1.100 peak   798 spectrum    1 weight  0.10000E+01 volume  0.21207E-02 ppm1      8.660 ppm2      4.842 CV     1
 ASSI {  799}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      2.600     0.800     0.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.57135E-02 ppm1      8.661 ppm2      3.870 CV     1
 ASSI {  800}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.300     1.400     1.400 peak   800 spectrum    1 weight  0.10000E+01 volume  0.36961E-02 ppm1      8.661 ppm2      2.885 CV     1
 ASSI {  801}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.700     0.900     0.900 peak   801 spectrum    1 weight  0.10000E+01 volume  0.42782E-02 ppm1      8.661 ppm2      2.662 CV     1
 ASSI {  803}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      2.800     1.000     1.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.16706E-02 ppm1      8.421 ppm2      7.136 CV     1
 ASSI {  807}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.500     1.500     1.500 peak   807 spectrum    1 weight  0.10000E+01 volume  0.16878E-02 ppm1      8.420 ppm2      3.563 CV     1
 ASSI {  808}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.600     0.800     0.800 peak   808 spectrum    1 weight  0.10000E+01 volume  0.29100E-02 ppm1      8.421 ppm2      3.098 CV     1
 ASSI {  809}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.400     1.400     1.400 peak   809 spectrum    1 weight  0.10000E+01 volume  0.12897E-02 ppm1      8.420 ppm2      4.926 CV     1
 ASSI {  810}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.300     0.700     0.700 peak   810 spectrum    1 weight  0.10000E+01 volume  0.45611E-02 ppm1      8.420 ppm2      4.721 CV     1
 ASSI {  811}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.100     2.100     1.900 peak   811 spectrum    1 weight  0.10000E+01 volume  0.46105E-03 ppm1      8.422 ppm2      5.267 CV     1
 ASSI {  812}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      3.700     1.800     1.800 peak   812 spectrum    1 weight  0.10000E+01 volume  0.46479E-03 ppm1      8.422 ppm2      1.935 CV     1
 ASSI {  814}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.600     1.600     1.600 peak   814 spectrum    1 weight  0.10000E+01 volume  0.54687E-03 ppm1      8.421 ppm2      1.626 CV     1
 ASSI {  816}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      5.200     3.400     0.800 peak   816 spectrum    1 weight  0.10000E+01 volume  0.25333E-03 ppm1      8.421 ppm2      0.884 CV     1
 ASSI {  824}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.600     1.600     1.600 peak   824 spectrum    1 weight  0.10000E+01 volume  0.69129E-03 ppm1      8.224 ppm2      4.444 CV     1
 ASSI {  825}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
      5.600     3.900     0.400 peak   825 spectrum    1 weight  0.10000E+01 volume  0.24914E-03 ppm1      8.227 ppm2      4.123 CV     1
 ASSI {  828}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.600     1.600     1.600 peak   828 spectrum    1 weight  0.10000E+01 volume  0.33597E-02 ppm1      8.161 ppm2      1.842 CV     1
 ASSI {  831}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
      4.300     2.300     1.700 peak   831 spectrum    1 weight  0.10000E+01 volume  0.53618E-03 ppm1      8.160 ppm2      1.024 CV     1
 ASSI {  832}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak   832 spectrum    1 weight  0.10000E+01 volume  0.60437E-02 ppm1      8.161 ppm2      7.819 CV     1
 ASSI {  833}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.53908E-02 ppm1      8.161 ppm2      8.455 CV     1
 ASSI {  837}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.500     0.800     0.800 peak   837 spectrum    1 weight  0.10000E+01 volume  0.57060E-02 ppm1      7.996 ppm2      2.026 CV     1
 ASSI {  838}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.300     0.700     0.700 peak   838 spectrum    1 weight  0.10000E+01 volume  0.53119E-02 ppm1      7.997 ppm2      1.921 CV     1
 ASSI {  839}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
      3.800     1.800     1.800 peak   839 spectrum    1 weight  0.10000E+01 volume  0.24592E-02 ppm1      7.996 ppm2      1.822 CV     1
 ASSI {  840}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.400     1.400     1.400 peak   840 spectrum    1 weight  0.10000E+01 volume  0.11820E-02 ppm1      7.998 ppm2      4.484 CV     1
 ASSI {  842}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.800     1.000     1.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.20494E-02 ppm1      7.997 ppm2      2.777 CV     1
 ASSI {  846}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      3.900     1.900     1.900 peak   846 spectrum    1 weight  0.10000E+01 volume  0.68952E-03 ppm1      7.997 ppm2      1.063 CV     1
 OR {  846}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  849}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.300     0.700     0.700 peak   849 spectrum    1 weight  0.10000E+01 volume  0.82927E-02 ppm1      7.826 ppm2      1.536 CV     1
 ASSI {  850}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak   850 spectrum    1 weight  0.10000E+01 volume  0.17900E-02 ppm1      7.826 ppm2      4.563 CV     1
 ASSI {  851}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.36350E-02 ppm1      7.826 ppm2      4.362 CV     1
 ASSI {  852}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.600     1.600     1.600 peak   852 spectrum    1 weight  0.10000E+01 volume  0.12954E-02 ppm1      7.826 ppm2      4.132 CV     1
 ASSI {  853}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.200     1.300     1.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.13857E-02 ppm1      7.826 ppm2      4.048 CV     1
 ASSI {  854}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.400     1.400 peak   854 spectrum    1 weight  0.10000E+01 volume  0.98856E-03 ppm1      7.826 ppm2      3.940 CV     1
 ASSI {  857}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      5.000     3.100     1.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.17381E-03 ppm1      7.829 ppm2      2.243 CV     1
 ASSI {  862}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.600     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.27419E-02 ppm1      8.721 ppm2      4.415 CV     1
 ASSI {  868}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.600     2.600     1.400 peak   868 spectrum    1 weight  0.10000E+01 volume  0.23330E-03 ppm1      8.721 ppm2      0.367 CV     1
 ASSI {  872}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     1.800     1.800 peak   872 spectrum    1 weight  0.10000E+01 volume  0.11446E-02 ppm1      8.471 ppm2      8.602 CV     1
 ASSI {  875}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   875 spectrum    1 weight  0.10000E+01 volume  0.18752E-02 ppm1      8.605 ppm2      4.712 CV     1
 ASSI {  876}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.000     1.000 peak   876 spectrum    1 weight  0.10000E+01 volume  0.27489E-02 ppm1      8.470 ppm2      4.363 CV     1
 ASSI {  877}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.700     0.900     0.900 peak   877 spectrum    1 weight  0.10000E+01 volume  0.38137E-02 ppm1      8.469 ppm2      4.707 CV     1
 ASSI {  879}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.000     1.100     1.100 peak   879 spectrum    1 weight  0.10000E+01 volume  0.30315E-02 ppm1      8.605 ppm2      2.750 CV     1
 ASSI {  880}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.100     2.100     1.900 peak   880 spectrum    1 weight  0.10000E+01 volume  0.43938E-03 ppm1      8.468 ppm2      2.876 CV     1
 ASSI {  881}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.300     2.300     1.700 peak   881 spectrum    1 weight  0.10000E+01 volume  0.50189E-03 ppm1      8.471 ppm2      2.754 CV     1
 ASSI {  883}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.000     1.100     1.100 peak   883 spectrum    1 weight  0.10000E+01 volume  0.21544E-02 ppm1      8.470 ppm2      1.574 CV     1
 ASSI {  884}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.900     1.000     1.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.26616E-02 ppm1      8.470 ppm2      1.449 CV     1
 ASSI {  885}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.500     1.500     1.500 peak   885 spectrum    1 weight  0.10000E+01 volume  0.10501E-02 ppm1      8.469 ppm2      1.244 CV     1
 ASSI {  886}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      3.900     1.900     1.900 peak   886 spectrum    1 weight  0.10000E+01 volume  0.67722E-03 ppm1      8.470 ppm2      0.794 CV     1
 ASSI {  887}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      4.200     2.200     1.800 peak   887 spectrum    1 weight  0.10000E+01 volume  0.91270E-03 ppm1      8.471 ppm2      0.693 CV     1
 ASSI {  888}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.600     2.600     1.400 peak   888 spectrum    1 weight  0.10000E+01 volume  0.27495E-03 ppm1      8.611 ppm2      1.539 CV     1
 ASSI {  889}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.600     1.600     1.600 peak   889 spectrum    1 weight  0.10000E+01 volume  0.73843E-03 ppm1      8.005 ppm2      8.158 CV     1
 ASSI {  891}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.800     2.900     1.200 peak   891 spectrum    1 weight  0.10000E+01 volume  0.60125E-03 ppm1      8.005 ppm2      6.975 CV     1
 ASSI {  892}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.300     1.300     1.300 peak   892 spectrum    1 weight  0.10000E+01 volume  0.12392E-02 ppm1      8.006 ppm2      4.741 CV     1
 ASSI {  893}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.200     0.600     0.600 peak   893 spectrum    1 weight  0.10000E+01 volume  0.87211E-02 ppm1      8.005 ppm2      4.582 CV     1
 ASSI {  895}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.500     1.500     1.500 peak   895 spectrum    1 weight  0.10000E+01 volume  0.13315E-02 ppm1      8.006 ppm2      3.275 CV     1
 ASSI {  896}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.900     1.900     1.900 peak   896 spectrum    1 weight  0.10000E+01 volume  0.59964E-03 ppm1      8.008 ppm2      3.001 CV     1
 ASSI {  897}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.600     1.600     1.600 peak   897 spectrum    1 weight  0.10000E+01 volume  0.25978E-02 ppm1      8.004 ppm2      2.839 CV     1
 ASSI {  899}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.400     2.400     1.600 peak   899 spectrum    1 weight  0.10000E+01 volume  0.59433E-03 ppm1      9.428 ppm2      8.151 CV     1
 ASSI {  902}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.400     2.400     1.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.18055E-03 ppm1      9.428 ppm2      4.901 CV     1
 ASSI {  907}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
      2.600     0.800     0.800 peak   907 spectrum    1 weight  0.10000E+01 volume  0.47452E-02 ppm1      9.428 ppm2      1.576 CV     1
 OR {  907}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  908}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.500     1.500 peak   908 spectrum    1 weight  0.10000E+01 volume  0.27916E-02 ppm1      9.428 ppm2      1.475 CV     1
 ASSI {  913}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.900     1.900     1.900 peak   913 spectrum    1 weight  0.10000E+01 volume  0.13738E-02 ppm1      9.429 ppm2      0.626 CV     1
 OR {  913}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  914}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      4.900     2.900     1.100 peak   914 spectrum    1 weight  0.10000E+01 volume  0.15941E-03 ppm1      9.429 ppm2      3.080 CV     1
 ASSI {  915}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      5.400     3.700     0.600 peak   915 spectrum    1 weight  0.10000E+01 volume  0.15561E-03 ppm1      9.430 ppm2      2.775 CV     1
 ASSI {  917}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.300     1.300     1.300 peak   917 spectrum    1 weight  0.10000E+01 volume  0.42875E-02 ppm1      8.150 ppm2      1.607 CV     1
 ASSI {  920}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      3.900     1.900     1.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.13686E-02 ppm1      8.149 ppm2      0.963 CV     1
 ASSI {  921}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      4.400     2.400     1.600 peak   921 spectrum    1 weight  0.10000E+01 volume  0.10447E-02 ppm1      8.148 ppm2      0.881 CV     1
 ASSI {  923}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.900     1.900     1.900 peak   923 spectrum    1 weight  0.10000E+01 volume  0.11939E-02 ppm1      8.151 ppm2      4.182 CV     1
 ASSI {  927}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.500     0.800     0.800 peak   927 spectrum    1 weight  0.10000E+01 volume  0.56593E-02 ppm1      7.818 ppm2      1.883 CV     1
 ASSI {  928}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG  ))
      3.900     1.900     1.900 peak   928 spectrum    1 weight  0.10000E+01 volume  0.24014E-02 ppm1      7.818 ppm2      1.744 CV     1
 ASSI {  929}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.900     1.900     1.900 peak   929 spectrum    1 weight  0.10000E+01 volume  0.53914E-03 ppm1      7.844 ppm2      2.268 CV     1
 ASSI {  930}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      4.000     2.000     2.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.56040E-03 ppm1      7.844 ppm2      2.115 CV     1
 ASSI {  938}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.800     1.800     1.800 peak   938 spectrum    1 weight  0.10000E+01 volume  0.85246E-03 ppm1      7.819 ppm2      4.181 CV     1
 ASSI {  939}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name H28A))
      4.800     2.900     1.200 peak   939 spectrum    1 weight  0.10000E+01 volume  0.35886E-03 ppm1      7.817 ppm2      3.458 CV     1
 ASSI {  940}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.700     1.700     1.700 peak   940 spectrum    1 weight  0.10000E+01 volume  0.68946E-03 ppm1      7.818 ppm2      3.275 CV     1
 ASSI {  942}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name H28B))
      3.800     1.800     1.800 peak   942 spectrum    1 weight  0.10000E+01 volume  0.32992E-03 ppm1      7.819 ppm2      3.891 CV     1
 ASSI {  943}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      5.200     3.300     0.800 peak   943 spectrum    1 weight  0.10000E+01 volume  0.26430E-03 ppm1      7.819 ppm2      4.743 CV     1
 ASSI {  945}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.800     1.800     1.800 peak   945 spectrum    1 weight  0.10000E+01 volume  0.71008E-03 ppm1      7.597 ppm2      0.874 CV     1
 ASSI {  946}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      2.200     0.600     0.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.12410E-01 ppm1      7.597 ppm2      1.628 CV     1
 ASSI {  947}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      5.300     3.500     0.700 peak   947 spectrum    1 weight  0.10000E+01 volume  0.67959E-03 ppm1      7.596 ppm2      2.005 CV     1
 ASSI {  948}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
      4.200     2.200     1.800 peak   948 spectrum    1 weight  0.10000E+01 volume  0.65645E-03 ppm1      7.596 ppm2      1.843 CV     1
 ASSI {  949}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      2.800     1.000     1.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.42814E-02 ppm1      7.597 ppm2      4.028 CV     1
 OR {  949}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {  950}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak   950 spectrum    1 weight  0.10000E+01 volume  0.15556E-02 ppm1      7.597 ppm2      3.743 CV     1
 ASSI {  951}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.200     2.200     1.800 peak   951 spectrum    1 weight  0.10000E+01 volume  0.38593E-03 ppm1      7.597 ppm2      4.900 CV     1
 ASSI {  954}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.300     0.700     0.700 peak   954 spectrum    1 weight  0.10000E+01 volume  0.61897E-02 ppm1      7.597 ppm2      8.264 CV     1
 ASSI {  955}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      3.800     1.800     1.800 peak   955 spectrum    1 weight  0.10000E+01 volume  0.99334E-03 ppm1      7.596 ppm2      7.942 CV     1
 ASSI {  957}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.200     2.200     1.800 peak   957 spectrum    1 weight  0.10000E+01 volume  0.38420E-03 ppm1      8.301 ppm2      2.323 CV     1
 ASSI {  959}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG11))
      3.100     1.200     1.200 peak   959 spectrum    1 weight  0.10000E+01 volume  0.10900E-02 ppm1      8.302 ppm2      1.501 CV     1
 ASSI {  960}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG12))
      4.100     2.100     1.900 peak   960 spectrum    1 weight  0.10000E+01 volume  0.87657E-03 ppm1      8.305 ppm2      1.119 CV     1
 ASSI {  961}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      4.200     2.200     1.800 peak   961 spectrum    1 weight  0.10000E+01 volume  0.89380E-03 ppm1      8.302 ppm2      1.017 CV     1
 ASSI {  962}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.700     2.700     1.300 peak   962 spectrum    1 weight  0.10000E+01 volume  0.57801E-03 ppm1      8.301 ppm2      0.854 CV     1
 ASSI {  963}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.200     1.300     1.300 peak   963 spectrum    1 weight  0.10000E+01 volume  0.10230E-02 ppm1      8.302 ppm2      4.622 CV     1
 ASSI {  964}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      4.400     2.400     1.600 peak   964 spectrum    1 weight  0.10000E+01 volume  0.60362E-03 ppm1      8.303 ppm2      3.747 CV     1
 ASSI {  965}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak   965 spectrum    1 weight  0.10000E+01 volume  0.46856E-02 ppm1      8.303 ppm2      4.823 CV     1
 ASSI {  966}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.300     2.300     1.700 peak   966 spectrum    1 weight  0.10000E+01 volume  0.81273E-03 ppm1      8.302 ppm2      8.482 CV     1
 ASSI {  968}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      5.200     3.400     0.800 peak   968 spectrum    1 weight  0.10000E+01 volume  0.30388E-03 ppm1      8.307 ppm2      2.745 CV     1
 ASSI {  973}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.800     1.800     1.800 peak   973 spectrum    1 weight  0.10000E+01 volume  0.45308E-03 ppm1      8.072 ppm2      4.536 CV     1
 ASSI {  981}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.800     0.800 peak   981 spectrum    1 weight  0.10000E+01 volume  0.35810E-02 ppm1      8.072 ppm2      8.216 CV     1
 ASSI {  983}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.000     1.100     1.100 peak   983 spectrum    1 weight  0.10000E+01 volume  0.27632E-02 ppm1      7.973 ppm2      4.469 CV     1
 ASSI {  987}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      5.000     3.200     1.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.27840E-03 ppm1      7.454 ppm2      8.061 CV     1
 ASSI {  990}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HD2 ))
      5.500     3.800     0.500 peak   990 spectrum    1 weight  0.10000E+01 volume  0.24336E-03 ppm1      8.304 ppm2      3.568 CV     1
 ASSI {    3}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H2B ))
      2.900     1.100     1.100 peak     3 spectrum    1 weight  0.10000E+01 volume  0.22482E-02 ppm1      1.677 ppm2      2.634 CV     1
 OR {    3}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H2A ))
 OR {    3}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H2A ))
 OR {    3}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H2B ))
 ASSI {   31}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H32A))
      3.400     1.400     1.400 peak    31 spectrum    1 weight  0.10000E+01 volume  0.27185E-03 ppm1      2.564 ppm2      4.124 CV     1
 OR {   31}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H32A))
 ASSI {   73}
   (( segid "    " and resid 42   and name H2B ))
   (( segid "    " and resid 42   and name H2A ))
      1.200     0.200     1.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.63121E-01 ppm1      2.629 ppm2      2.627 CV     1
 OR {   73}
   (( segid "    " and resid 42   and name H2A ))
   (( segid "    " and resid 42   and name H2B ))
 ASSI {   74}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H38A))
      1.300     0.200     0.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.58139E-01 ppm1      2.562 ppm2      2.560 CV     1
 OR {   74}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H38B))
 ASSI {   91}
   (( segid "    " and resid 42   and name H41A))
   (( segid "    " and resid 42   and name H36A))
      4.700     2.800     1.300 peak    91 spectrum    1 weight  0.10000E+01 volume  0.21262E-03 ppm1      8.274 ppm2      8.108 CV     1
 ASSI {   96}
   (( segid "    " and resid 42   and name H28B))
   (( segid "    " and resid 42   and name H28A))
      1.700     0.400     0.500 peak    96 spectrum    1 weight  0.10000E+01 volume  0.65344E-02 ppm1      3.888 ppm2      3.444 CV     1
 ASSI {  110}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H37A))
      1.300     0.200     0.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.50142E-01 ppm1      3.582 ppm2      3.580 CV     1
 OR {  110}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H37B))
 ASSI {  111}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H42A))
      1.200     0.200     1.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.78562E-01 ppm1      3.420 ppm2      3.418 CV     1
 OR {  111}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H42B))
 ASSI {  113}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H3B ))
      1.200     0.200     1.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.46276E-01 ppm1      1.677 ppm2      1.670 CV     1
 OR {  113}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H3A ))
 ASSI {  124}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H43B))
      1.300     0.200     0.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.60662E-01 ppm1      3.071 ppm2      3.069 CV     1
 OR {  124}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H43A))
 ASSI { 2998}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 42   and name H28A))
      6.000     4.600     0.000 peak  2998 spectrum    1 weight  0.10000E+01 volume  0.24644E-03 ppm1      2.847 ppm2      3.458 CV     1
 ASSI { 2999}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 42   and name H28A))
      4.700     2.800     1.300 peak  2999 spectrum    1 weight  0.10000E+01 volume  0.42497E-03 ppm1      2.753 ppm2      3.464 CV     1
 ASSI { 5196}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H2A ))
      3.900     1.900     1.900 peak  5196 spectrum    1 weight  0.10000E+01 volume  0.79609E-03 ppm1      1.549 ppm2      2.656 CV     1
 OR { 5196}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H2B ))
 ASSI {    1}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 42   and name H30%)
      5.100     3.300     0.900 peak     1 spectrum    1 weight  0.10000E+01 volume  0.89547E-03 ppm1      0.255 ppm2      0.959 CV     1
 ASSI {    2}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 42   and name H4% )
      4.300     2.400     1.700 peak     2 spectrum    1 weight  0.10000E+01 volume  0.14409E-02 ppm1      0.351 ppm2      0.943 CV     1
 ASSI {    3}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 42   and name H4% )
      4.200     2.200     1.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.13540E-02 ppm1      0.255 ppm2      0.943 CV     1
 ASSI {    4}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 42   and name H31%)
      4.900     3.000     1.100 peak     4 spectrum    1 weight  0.10000E+01 volume  0.40315E-03 ppm1      0.244 ppm2      1.066 CV     1
 ASSI {    5}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 42   and name H31%)
      5.500     3.700     0.500 peak     5 spectrum    1 weight  0.10000E+01 volume  0.56684E-03 ppm1      0.352 ppm2      1.060 CV     1
 ASSI {    8}
   (( segid "    " and resid 42   and name H2A ))
   (  segid "    " and resid 42   and name H4% )
      3.100     1.200     1.200 peak     8 spectrum    1 weight  0.10000E+01 volume  0.26128E-02 ppm1      2.635 ppm2      0.944 CV     1
 OR {    8}
   (( segid "    " and resid 42   and name H2B ))
   (  segid "    " and resid 42   and name H4% )
 ASSI {    9}
   (( segid "    " and resid 42   and name H38A))
   (  segid "    " and resid 42   and name H31%)
      3.700     1.700     1.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.26542E-02 ppm1      2.569 ppm2      1.063 CV     1
 OR {    9}
   (( segid "    " and resid 42   and name H38B))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   10}
   (( segid "    " and resid 42   and name H38A))
   (  segid "    " and resid 42   and name H30%)
      4.900     3.000     1.100 peak    10 spectrum    1 weight  0.10000E+01 volume  0.19917E-02 ppm1      2.568 ppm2      0.961 CV     1
 OR {   10}
   (( segid "    " and resid 42   and name H38B))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   11}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H30%)
      3.800     1.800     1.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.19560E-02 ppm1      2.830 ppm2      0.961 CV     1
 ASSI {   12}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H30%)
      2.800     1.000     1.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.11491E-02 ppm1      2.742 ppm2      0.961 CV     1
 ASSI {   13}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H31%)
      3.700     1.700     1.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.12892E-02 ppm1      2.743 ppm2      1.065 CV     1
 ASSI {   14}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H31%)
      4.400     2.500     1.600 peak    14 spectrum    1 weight  0.10000E+01 volume  0.19802E-02 ppm1      2.828 ppm2      1.062 CV     1
 ASSI {   15}
   (( segid "    " and resid 42   and name H43B))
   (  segid "    " and resid 42   and name H31%)
      3.300     1.300     1.300 peak    15 spectrum    1 weight  0.10000E+01 volume  0.22304E-02 ppm1      3.077 ppm2      1.062 CV     1
 OR {   15}
   (( segid "    " and resid 42   and name H43A))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   16}
   (( segid "    " and resid 42   and name H43B))
   (  segid "    " and resid 42   and name H30%)
      4.100     2.100     1.900 peak    16 spectrum    1 weight  0.10000E+01 volume  0.21216E-02 ppm1      3.080 ppm2      0.960 CV     1
 OR {   16}
   (( segid "    " and resid 42   and name H43A))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   17}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H30%)
      3.200     1.300     1.300 peak    17 spectrum    1 weight  0.10000E+01 volume  0.21266E-02 ppm1      2.324 ppm2      0.959 CV     1
 OR {   17}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   19}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      3.200     1.300     1.300 peak    19 spectrum    1 weight  0.10000E+01 volume  0.26622E-02 ppm1      2.324 ppm2      1.064 CV     1
 OR {   19}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   21}
   (( segid "    " and resid 42   and name H3A ))
   (  segid "    " and resid 42   and name H4% )
      2.300     0.600     0.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.10303E-01 ppm1      1.680 ppm2      0.930 CV     1
 OR {   21}
   (( segid "    " and resid 42   and name H3B ))
   (  segid "    " and resid 42   and name H4% )
 ASSI {   22}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H31%)
      2.900     1.000     1.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.13351E-01 ppm1      3.445 ppm2      1.063 CV     1
 ASSI {   23}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H30%)
      2.100     0.500     0.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.20668E-01 ppm1      3.447 ppm2      0.961 CV     1
 ASSI {   24}
   (( segid "    " and resid 42   and name H37A))
   (  segid "    " and resid 42   and name H31%)
      3.900     1.900     1.900 peak    24 spectrum    1 weight  0.10000E+01 volume  0.24355E-02 ppm1      3.588 ppm2      1.062 CV     1
 OR {   24}
   (( segid "    " and resid 42   and name H37B))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   25}
   (( segid "    " and resid 42   and name H37A))
   (  segid "    " and resid 42   and name H30%)
      4.800     2.900     1.200 peak    25 spectrum    1 weight  0.10000E+01 volume  0.18522E-02 ppm1      3.588 ppm2      0.960 CV     1
 OR {   25}
   (( segid "    " and resid 42   and name H37B))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   26}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H31%)
      2.400     0.700     0.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.91093E-02 ppm1      3.895 ppm2      1.063 CV     1
 ASSI {   27}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H30%)
      2.000     0.500     0.500 peak    27 spectrum    1 weight  0.10000E+01 volume  0.20747E-01 ppm1      3.896 ppm2      0.960 CV     1
 ASSI {   28}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H30%)
      2.400     0.700     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.77311E-02 ppm1      4.132 ppm2      0.961 CV     1
 ASSI {   29}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H31%)
      2.300     0.700     0.700 peak    29 spectrum    1 weight  0.10000E+01 volume  0.12891E-01 ppm1      4.133 ppm2      1.063 CV     1
 ASSI {   31}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      2.700     0.900     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.19711E-02 ppm1      4.341 ppm2      1.063 CV     1
 ASSI {   33}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 42   and name H30%)
      4.600     2.600     1.400 peak    33 spectrum    1 weight  0.10000E+01 volume  0.10295E-02 ppm1      4.331 ppm2      0.958 CV     1
 ASSI {   34}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H31%)
      2.300     0.700     0.700 peak    34 spectrum    1 weight  0.10000E+01 volume  0.63051E-02 ppm1      8.117 ppm2      1.063 CV     1
 ASSI {   35}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H30%)
      3.600     1.600     1.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.59793E-02 ppm1      8.116 ppm2      0.960 CV     1
 ASSI {   36}
   (( segid "    " and resid 42   and name H41A))
   (  segid "    " and resid 42   and name H30%)
      4.900     3.000     1.100 peak    36 spectrum    1 weight  0.10000E+01 volume  0.13001E-02 ppm1      8.265 ppm2      0.960 CV     1
 ASSI {   37}
   (( segid "    " and resid 42   and name H41A))
   (  segid "    " and resid 42   and name H31%)
      3.500     1.500     1.500 peak    37 spectrum    1 weight  0.10000E+01 volume  0.15966E-02 ppm1      8.266 ppm2      1.063 CV     1
 ASSI {   38}
   (  segid "    " and resid 42   and name H31%)
   (  segid "    " and resid 42   and name H30%)
      2.100     0.500     0.500 peak    38 spectrum    1 weight  0.10000E+01 volume  0.18863E-01 ppm1      1.065 ppm2      0.961 CV     1
 ASSI {   43}
   (( segid "    " and resid 42   and name H32A))
   (( segid "    " and resid 42   and name H36A))
      2.100     0.500     0.500 peak    43 spectrum    1 weight  0.10000E+01 volume  0.11719E-01 ppm1      4.132 ppm2      8.114 CV     1
 ASSI {   44}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H41A))
      4.400     2.400     1.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.20665E-02 ppm1      3.586 ppm2      8.265 CV     1
 OR {   44}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   45}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H36A))
      2.300     0.600     0.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.14581E-01 ppm1      3.589 ppm2      8.114 CV     1
 OR {   45}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H36A))
 ASSI {   46}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H41A))
      2.400     0.700     0.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.10322E-01 ppm1      3.427 ppm2      8.266 CV     1
 OR {   46}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   47}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H41A))
      3.300     1.300     1.300 peak    47 spectrum    1 weight  0.10000E+01 volume  0.27572E-02 ppm1      3.079 ppm2      8.265 CV     1
 OR {   47}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   48}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H36A))
      4.800     2.900     1.200 peak    48 spectrum    1 weight  0.10000E+01 volume  0.10842E-02 ppm1      3.443 ppm2      8.114 CV     1
 ASSI {   49}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H41A))
      2.200     0.600     0.600 peak    49 spectrum    1 weight  0.10000E+01 volume  0.14301E-01 ppm1      2.569 ppm2      8.265 CV     1
 OR {   49}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   50}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H36A))
      2.900     1.100     1.100 peak    50 spectrum    1 weight  0.10000E+01 volume  0.53185E-02 ppm1      2.569 ppm2      8.114 CV     1
 OR {   50}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H36A))
 ASSI {   51}
   (( segid "    " and resid 42   and name H28B))
   (( segid "    " and resid 42   and name H36A))
      5.000     3.200     1.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.11726E-02 ppm1      3.894 ppm2      8.112 CV     1
 ASSI {   52}
   (( segid "    " and resid 42   and name H28B))
   (( segid "    " and resid 42   and name H32A))
      3.600     1.600     1.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.48267E-02 ppm1      3.895 ppm2      4.131 CV     1
 ASSI {   53}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H32A))
      3.900     1.900     1.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.29391E-02 ppm1      3.590 ppm2      4.131 CV     1
 OR {   53}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H32A))
 ASSI {   54}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H32A))
      3.100     1.200     1.200 peak    54 spectrum    1 weight  0.10000E+01 volume  0.44570E-02 ppm1      3.449 ppm2      4.131 CV     1
 ASSI {   60}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H42A))
      2.400     0.700     0.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.12077E-01 ppm1      3.076 ppm2      3.426 CV     1
 OR {   60}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H42B))
 OR {   60}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H42A))
 OR {   60}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H42B))
 ASSI {   62}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H37A))
      2.200     0.600     0.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.17770E-01 ppm1      2.569 ppm2      3.589 CV     1
 OR {   62}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H37B))
 OR {   62}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H37A))
 OR {   62}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H37B))
 ASSI {   63}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H42A))
      4.900     3.000     1.100 peak    63 spectrum    1 weight  0.10000E+01 volume  0.98067E-03 ppm1      2.566 ppm2      3.432 CV     1
 OR {   63}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H42B))
 OR {   63}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H42B))
 OR {   63}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H42A))
 ASSI {   67}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H38A))
      3.000     1.100     1.100 peak    67 spectrum    1 weight  0.10000E+01 volume  0.70111E-03 ppm1      3.077 ppm2      2.570 CV     1
 OR {   67}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H38A))
 OR {   67}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H38B))
 OR {   67}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H38B))
 ASSI {   69}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name H28B))
      4.000     2.000     2.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.19937E-02 ppm1      4.252 ppm2      3.887 CV     1
 ASSI {   70}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name H28A))
      6.000     4.500     0.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.13134E-02 ppm1      4.254 ppm2      3.438 CV     1
 ASSI {   71}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name H43B))
      4.300     2.300     1.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.11703E-02 ppm1      4.241 ppm2      3.075 CV     1
 OR {   71}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name H43A))
 ASSI {   72}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name H2B ))
      4.100     2.100     1.900 peak    72 spectrum    1 weight  0.10000E+01 volume  0.99474E-03 ppm1      4.245 ppm2      2.631 CV     1
 OR {   72}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name H2A ))
 ASSI {   74}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 42   and name H2A ))
      3.800     1.800     1.800 peak    74 spectrum    1 weight  0.10000E+01 volume  0.86685E-03 ppm1      1.395 ppm2      2.634 CV     1
 OR {   74}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 42   and name H2B ))
 ASSI {   75}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H2A ))
      5.000     3.100     1.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.54016E-03 ppm1      0.345 ppm2      2.635 CV     1
 OR {   75}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H2B ))
 ASSI {   76}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H2A ))
      3.800     1.800     1.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.83797E-03 ppm1      0.255 ppm2      2.633 CV     1
 OR {   76}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H2B ))
 ASSI {   78}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H2A ))
      4.600     2.700     1.400 peak    78 spectrum    1 weight  0.10000E+01 volume  0.82744E-03 ppm1      3.428 ppm2      2.636 CV     1
 OR {   78}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H2A ))
 OR {   78}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H2B ))
 OR {   78}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H2B ))
 ASSI {    1}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.200     0.600     0.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.12565E-01 ppm1      2.848 ppm2      2.338 CV     1
 OR {    1}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB1 ))
 OR {    1}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI {   31}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
      3.700     1.700     1.700 peak    31 spectrum    1 weight  0.10000E+01 volume  0.44891E-03 ppm1      1.184 ppm2      3.885 CV     1
 OR {   31}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {   46}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      4.300     2.300     1.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.10858E-02 ppm1      1.184 ppm2      2.259 CV     1
 OR {   46}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 73   and name HB2 ))
 OR {   46}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {   47}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HA  ))
      3.800     1.800     1.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.31280E-03 ppm1      1.183 ppm2      4.624 CV     1
 OR {   47}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 70   and name HB  ))
 OR {   47}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
 ASSI {   63}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 64   and name HG1%)
      2.600     0.900     0.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.38742E-02 ppm1      1.136 ppm2      0.964 CV     1
 OR {   63}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HG  ))
 ASSI {   72}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HB2 ))
      3.100     1.200     1.200 peak    72 spectrum    1 weight  0.10000E+01 volume  0.11108E-02 ppm1      1.134 ppm2      1.863 CV     1
 OR {   72}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 72   and name HB1 ))
 OR {   72}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 34   and name HB2 ))
 ASSI {   73}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HB1 ))
      3.200     1.300     1.300 peak    73 spectrum    1 weight  0.10000E+01 volume  0.20832E-02 ppm1      1.132 ppm2      2.051 CV     1
 OR {   73}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {   81}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.52984E-02 ppm1      1.126 ppm2      4.045 CV     1
 OR {   81}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {   85}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HA  ))
      4.000     2.000     2.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.32348E-03 ppm1      1.135 ppm2      4.628 CV     1
 OR {   85}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 70   and name HB  ))
 OR {   85}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  109}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 64   and name HG1%)
      2.400     0.700     0.700 peak   109 spectrum    1 weight  0.10000E+01 volume  0.70868E-02 ppm1      1.134 ppm2      1.007 CV     1
 OR {  109}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HG  ))
 OR {  109}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 64   and name HG2%)
 OR {  109}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  112}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.400     1.400 peak   112 spectrum    1 weight  0.10000E+01 volume  0.19109E-02 ppm1      1.125 ppm2      8.243 CV     1
 OR {  112}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  124}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HG2%)
      2.200     0.600     0.600 peak   124 spectrum    1 weight  0.10000E+01 volume  0.69843E-02 ppm1      3.583 ppm2      1.024 CV     1
 OR {  124}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI {  131}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 56   and name HD% )
      3.300     1.300     1.300 peak   131 spectrum    1 weight  0.10000E+01 volume  0.32109E-02 ppm1      0.987 ppm2      7.454 CV     1
 OR {  131}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HN  ))
 OR {  131}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 68   and name HN  ))
 ASSI {  132}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 27   and name HN  ))
      3.300     1.400     1.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.23106E-02 ppm1      1.049 ppm2      8.244 CV     1
 OR {  132}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
 OR {  132}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
 OR {  132}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  136}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 77   and name HG  ))
      3.200     1.300     1.300 peak   136 spectrum    1 weight  0.10000E+01 volume  0.13378E-02 ppm1      3.586 ppm2      1.821 CV     1
 OR {  136}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HB  ))
 ASSI {  140}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HG  ))
      2.200     0.600     0.600 peak   140 spectrum    1 weight  0.10000E+01 volume  0.86605E-02 ppm1      1.039 ppm2      2.050 CV     1
 OR {  140}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
 OR {  140}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  144}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      2.100     0.500     0.500 peak   144 spectrum    1 weight  0.10000E+01 volume  0.12567E-01 ppm1      1.052 ppm2      4.219 CV     1
 OR {  144}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  147}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak   147 spectrum    1 weight  0.10000E+01 volume  0.15651E-02 ppm1      2.053 ppm2      2.227 CV     1
 OR {  147}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  151}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB2 ))
      3.100     1.200     1.200 peak   151 spectrum    1 weight  0.10000E+01 volume  0.46678E-02 ppm1      1.038 ppm2      1.452 CV     1
 OR {  151}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  152}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 13   and name HB% )
      2.100     0.600     0.600 peak   152 spectrum    1 weight  0.10000E+01 volume  0.13930E-01 ppm1      1.043 ppm2      1.676 CV     1
 OR {  152}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
 ASSI {  156}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
      2.100     0.500     0.500 peak   156 spectrum    1 weight  0.10000E+01 volume  0.99882E-02 ppm1      2.060 ppm2      0.869 CV     1
 OR {  156}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  157}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
      2.500     0.800     0.800 peak   157 spectrum    1 weight  0.10000E+01 volume  0.47576E-02 ppm1      2.226 ppm2      0.866 CV     1
 OR {  157}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  167}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 48   and name HG2%)
      4.000     2.000     2.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.13905E-02 ppm1      2.233 ppm2      1.127 CV     1
 OR {  167}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 60   and name HG12))
 OR {  167}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  182}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak   182 spectrum    1 weight  0.10000E+01 volume  0.23056E-02 ppm1      1.041 ppm2      8.436 CV     1
 OR {  182}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  186}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB1 ))
      2.600     0.800     0.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.33375E-02 ppm1      1.041 ppm2      2.226 CV     1
 OR {  186}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 51   and name HB1 ))
 OR {  186}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  187}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
      2.200     0.600     0.600 peak   187 spectrum    1 weight  0.10000E+01 volume  0.89659E-02 ppm1      0.876 ppm2      2.202 CV     1
 OR {  187}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  190}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 52   and name HD2%)
      3.100     1.200     1.200 peak   190 spectrum    1 weight  0.10000E+01 volume  0.45317E-02 ppm1      1.449 ppm2      1.044 CV     1
 OR {  190}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  191}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.55922E-02 ppm1      1.424 ppm2      1.062 CV     1
 OR {  191}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  210}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HG11))
      3.200     1.200     1.200 peak   210 spectrum    1 weight  0.10000E+01 volume  0.38790E-02 ppm1      1.028 ppm2      1.530 CV     1
 OR {  210}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  213}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HB  ))
      2.200     0.600     0.600 peak   213 spectrum    1 weight  0.10000E+01 volume  0.74149E-02 ppm1      1.028 ppm2      1.819 CV     1
 OR {  213}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 77   and name HG  ))
 ASSI {  215}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      4.200     2.200     1.800 peak   215 spectrum    1 weight  0.10000E+01 volume  0.53485E-03 ppm1      1.028 ppm2      7.444 CV     1
 OR {  215}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
 ASSI {  229}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
      3.700     1.700     1.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.88731E-03 ppm1      0.856 ppm2      4.299 CV     1
 OR {  229}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 OR {  229}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  234}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 61   and name HD1 ))
      5.000     3.200     1.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.63051E-03 ppm1      0.856 ppm2      4.025 CV     1
 OR {  234}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  237}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      4.100     2.200     1.900 peak   237 spectrum    1 weight  0.10000E+01 volume  0.10588E-02 ppm1      0.856 ppm2      2.216 CV     1
 OR {  237}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 64   and name HB  ))
 ASSI {  241}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HB  ))
      2.400     0.700     0.700 peak   241 spectrum    1 weight  0.10000E+01 volume  0.60227E-02 ppm1      0.857 ppm2      1.822 CV     1
 OR {  241}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 77   and name HG  ))
 ASSI {  243}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      2.100     0.500     0.500 peak   243 spectrum    1 weight  0.10000E+01 volume  0.97906E-02 ppm1      0.857 ppm2      1.517 CV     1
 OR {  243}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG11))
 ASSI {  248}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 60   and name HG2%)
      2.100     0.600     0.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.97288E-02 ppm1      0.857 ppm2      1.045 CV     1
 OR {  248}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  250}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      4.000     2.000     2.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.17795E-02 ppm1      1.136 ppm2      1.694 CV     1
 OR {  250}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 13   and name HB% )
 OR {  250}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  252}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      3.200     1.300     1.300 peak   252 spectrum    1 weight  0.10000E+01 volume  0.15355E-02 ppm1      3.963 ppm2      4.429 CV     1
 OR {  252}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  253}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      4.100     2.100     1.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.73746E-03 ppm1      3.966 ppm2      4.243 CV     1
 OR {  253}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HA  ))
 OR {  253}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  253}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  255}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
      2.900     1.000     1.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.34915E-02 ppm1      4.425 ppm2      3.931 CV     1
 OR {  255}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  269}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      4.100     2.100     1.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.59605E-03 ppm1      3.964 ppm2      8.461 CV     1
 OR {  269}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  286}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.600     1.600     1.600 peak   286 spectrum    1 weight  0.10000E+01 volume  0.68823E-03 ppm1      2.204 ppm2      3.968 CV     1
 OR {  286}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  293}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.900     0.900 peak   293 spectrum    1 weight  0.10000E+01 volume  0.23676E-02 ppm1      2.201 ppm2      8.456 CV     1
 OR {  293}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  297}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HD2 ))
      2.700     0.900     0.900 peak   297 spectrum    1 weight  0.10000E+01 volume  0.29340E-02 ppm1      2.038 ppm2      3.322 CV     1
 OR {  297}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HD2 ))
 OR {  297}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HD2 ))
 ASSI {  298}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      3.500     1.500     1.500 peak   298 spectrum    1 weight  0.10000E+01 volume  0.12646E-02 ppm1      1.129 ppm2      2.206 CV     1
 OR {  298}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HB1 ))
 OR {  298}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  299}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HG  ))
      2.900     1.000     1.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.34547E-02 ppm1      1.129 ppm2      2.049 CV     1
 OR {  299}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  300}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HG  ))
      3.500     1.600     1.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.23920E-02 ppm1      1.130 ppm2      1.885 CV     1
 OR {  300}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  308}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 52   and name HD1%)
      2.500     0.800     0.800 peak   308 spectrum    1 weight  0.10000E+01 volume  0.78718E-02 ppm1      1.129 ppm2      0.871 CV     1
 OR {  308}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 60   and name HD1%)
 OR {  308}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  314}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.300     0.700     0.700 peak   314 spectrum    1 weight  0.10000E+01 volume  0.81934E-02 ppm1      1.129 ppm2      3.960 CV     1
 OR {  314}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  316}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      2.100     0.600     0.600 peak   316 spectrum    1 weight  0.10000E+01 volume  0.10642E-01 ppm1      1.129 ppm2      4.415 CV     1
 OR {  316}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  318}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.300     1.300     1.300 peak   318 spectrum    1 weight  0.10000E+01 volume  0.13506E-02 ppm1      1.131 ppm2      8.419 CV     1
 OR {  318}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  336}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
      4.600     2.600     1.400 peak   336 spectrum    1 weight  0.10000E+01 volume  0.59750E-03 ppm1      4.453 ppm2      0.990 CV     1
 OR {  336}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI {  341}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.700     0.900     0.900 peak   341 spectrum    1 weight  0.10000E+01 volume  0.38183E-02 ppm1      4.453 ppm2      7.475 CV     1
 OR {  341}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  342}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      3.200     1.300     1.300 peak   342 spectrum    1 weight  0.10000E+01 volume  0.26817E-02 ppm1      2.391 ppm2      7.476 CV     1
 OR {  342}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  359}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.900     1.100     1.100 peak   359 spectrum    1 weight  0.10000E+01 volume  0.51308E-02 ppm1      1.544 ppm2      1.037 CV     1
 OR {  359}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  370}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
      3.800     1.800     1.800 peak   370 spectrum    1 weight  0.10000E+01 volume  0.98250E-03 ppm1      1.548 ppm2      2.342 CV     1
 OR {  370}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
 OR {  370}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  372}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
      4.200     2.200     1.800 peak   372 spectrum    1 weight  0.10000E+01 volume  0.10623E-02 ppm1      1.545 ppm2      2.209 CV     1
 OR {  372}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
 OR {  372}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 64   and name HB  ))
 ASSI {  377}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak   377 spectrum    1 weight  0.10000E+01 volume  0.47956E-02 ppm1      1.546 ppm2      4.267 CV     1
 OR {  377}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
 OR {  377}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  381}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 47   and name HN  ))
      4.000     2.000     2.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.67105E-03 ppm1      1.546 ppm2      8.469 CV     1
 OR {  381}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 59   and name HN  ))
 ASSI {  389}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.200     1.200 peak   389 spectrum    1 weight  0.10000E+01 volume  0.21512E-02 ppm1      3.951 ppm2      8.248 CV     1
 OR {  389}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 OR {  389}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  392}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.300     1.400     1.400 peak   392 spectrum    1 weight  0.10000E+01 volume  0.34787E-02 ppm1      3.958 ppm2      2.227 CV     1
 OR {  392}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  393}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
      3.500     1.600     1.600 peak   393 spectrum    1 weight  0.10000E+01 volume  0.10379E-02 ppm1      3.962 ppm2      2.055 CV     1
 OR {  393}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  398}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
      3.900     1.900     1.900 peak   398 spectrum    1 weight  0.10000E+01 volume  0.13662E-02 ppm1      3.958 ppm2      1.012 CV     1
 OR {  398}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
 OR {  398}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  399}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.52994E-02 ppm1      3.958 ppm2      0.862 CV     1
 OR {  399}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 OR {  399}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  401}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
      3.800     1.800     1.800 peak   401 spectrum    1 weight  0.10000E+01 volume  0.11163E-02 ppm1      3.957 ppm2      4.307 CV     1
 OR {  401}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  417}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      3.600     1.700     1.700 peak   417 spectrum    1 weight  0.10000E+01 volume  0.77231E-03 ppm1      1.675 ppm2      3.955 CV     1
 OR {  417}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  419}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      2.100     0.600     0.600 peak   419 spectrum    1 weight  0.10000E+01 volume  0.12649E-01 ppm1      1.676 ppm2      4.402 CV     1
 OR {  419}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  432}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.37753E-02 ppm1      1.675 ppm2      8.408 CV     1
 OR {  432}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  451}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.100     1.100 peak   451 spectrum    1 weight  0.10000E+01 volume  0.30997E-02 ppm1      1.065 ppm2      7.730 CV     1
 OR {  451}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  453}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.10879E-02 ppm1      1.069 ppm2      3.027 CV     1
 OR {  453}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  465}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.500     0.800     0.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.65382E-02 ppm1      2.632 ppm2      2.274 CV     1
 OR {  465}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  477}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HB1 ))
      1.700     0.400     0.500 peak   477 spectrum    1 weight  0.10000E+01 volume  0.16125E-01 ppm1      2.287 ppm2      2.471 CV     1
 OR {  477}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HG2 ))
 ASSI {  485}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
      4.100     2.100     1.900 peak   485 spectrum    1 weight  0.10000E+01 volume  0.98454E-03 ppm1      2.715 ppm2      2.052 CV     1
 OR {  485}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  485}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  485}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  485}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  485}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  485}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  485}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  485}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 52   and name HG  ))
 OR {  485}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 52   and name HG  ))
 OR {  485}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  485}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  485}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  485}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  485}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  485}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR {  485}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  485}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  485}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  486}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
      3.800     1.800     1.800 peak   486 spectrum    1 weight  0.10000E+01 volume  0.11765E-02 ppm1      2.713 ppm2      1.400 CV     1
 OR {  486}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  486}
   (( segid "    " and resid 8    and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  486}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
 OR {  486}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR {  486}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR {  486}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  487}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak   487 spectrum    1 weight  0.10000E+01 volume  0.17609E-02 ppm1      3.323 ppm2      1.046 CV     1
 OR {  487}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  488}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.000     1.100     1.100 peak   488 spectrum    1 weight  0.10000E+01 volume  0.24939E-02 ppm1      3.323 ppm2      1.645 CV     1
 OR {  488}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  510}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      4.300     2.400     1.700 peak   510 spectrum    1 weight  0.10000E+01 volume  0.72152E-03 ppm1      0.805 ppm2      8.066 CV     1
 OR {  510}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
 OR {  510}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  513}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      3.700     1.700     1.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.18300E-02 ppm1      0.884 ppm2      8.290 CV     1
 OR {  513}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  515}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      4.200     2.200     1.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.11540E-02 ppm1      0.857 ppm2      8.306 CV     1
 OR {  515}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  525}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      4.000     2.000     2.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.66101E-03 ppm1      4.238 ppm2      0.787 CV     1
 OR {  525}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 OR {  525}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  527}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.500     1.500     1.500 peak   527 spectrum    1 weight  0.10000E+01 volume  0.18116E-02 ppm1      4.241 ppm2      1.131 CV     1
 OR {  527}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  557}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
      3.100     1.200     1.200 peak   557 spectrum    1 weight  0.10000E+01 volume  0.13801E-02 ppm1      2.267 ppm2      0.900 CV     1
 OR {  557}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
 OR {  557}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  558}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
      4.500     2.500     1.500 peak   558 spectrum    1 weight  0.10000E+01 volume  0.50916E-03 ppm1      2.031 ppm2      0.902 CV     1
 OR {  558}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
 OR {  558}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI {  559}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      4.900     3.000     1.100 peak   559 spectrum    1 weight  0.10000E+01 volume  0.62482E-03 ppm1      2.265 ppm2      0.799 CV     1
 OR {  559}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  560}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
      5.000     3.200     1.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.33680E-03 ppm1      2.032 ppm2      0.796 CV     1
 OR {  560}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  587}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      3.100     1.200     1.200 peak   587 spectrum    1 weight  0.10000E+01 volume  0.14698E-02 ppm1      2.266 ppm2      7.225 CV     1
 OR {  587}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  588}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.600     1.600     1.600 peak   588 spectrum    1 weight  0.10000E+01 volume  0.77333E-03 ppm1      2.033 ppm2      7.224 CV     1
 OR {  588}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  593}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 38   and name HD1%)
      2.800     1.000     1.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.19968E-02 ppm1      2.201 ppm2      0.897 CV     1
 OR {  593}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  614}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HE% )
      4.200     2.200     1.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.74047E-03 ppm1      2.206 ppm2      7.218 CV     1
 OR {  614}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  618}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.800     1.800     1.800 peak   618 spectrum    1 weight  0.10000E+01 volume  0.60233E-03 ppm1      1.358 ppm2      7.213 CV     1
 OR {  618}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI {  634}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
      2.400     0.700     0.700 peak   634 spectrum    1 weight  0.10000E+01 volume  0.60340E-02 ppm1      2.338 ppm2      4.268 CV     1
 OR {  634}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  634}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  649}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HB2 ))
      4.000     2.000     2.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.99565E-03 ppm1      4.044 ppm2      2.032 CV     1
 OR {  649}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  651}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 38   and name HD1%)
      3.500     1.500     1.500 peak   651 spectrum    1 weight  0.10000E+01 volume  0.70868E-03 ppm1      4.045 ppm2      0.893 CV     1
 OR {  651}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  651}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  653}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 38   and name HD1%)
      3.200     1.300     1.300 peak   653 spectrum    1 weight  0.10000E+01 volume  0.79963E-03 ppm1      2.852 ppm2      0.897 CV     1
 OR {  653}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 14   and name HD2%)
 OR {  653}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  675}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 77   and name HG  ))
      4.200     2.200     1.800 peak   675 spectrum    1 weight  0.10000E+01 volume  0.10104E-02 ppm1      4.026 ppm2      1.825 CV     1
 OR {  675}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HB  ))
 ASSI {  678}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.33100E-02 ppm1      7.320 ppm2      8.053 CV     1
 OR {  678}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  691}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HB1 ))
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.37395E-02 ppm1      7.321 ppm2      3.307 CV     1
 OR {  691}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  693}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HB2 ))
      3.700     1.700     1.700 peak   693 spectrum    1 weight  0.10000E+01 volume  0.98454E-03 ppm1      7.320 ppm2      2.036 CV     1
 OR {  693}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HB2 ))
 OR {  693}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 11   and name HB1 ))
 OR {  693}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 11   and name HB2 ))
 OR {  693}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  695}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HG2 ))
      2.600     0.900     0.900 peak   695 spectrum    1 weight  0.10000E+01 volume  0.19175E-02 ppm1      7.323 ppm2      1.381 CV     1
 OR {  695}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HG2 ))
 OR {  695}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  698}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HB2 ))
      3.700     1.700     1.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.11339E-02 ppm1      7.321 ppm2      1.070 CV     1
 OR {  698}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HB2 ))
 OR {  698}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 OR {  698}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 OR {  698}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
 OR {  698}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
 OR {  698}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  699}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 14   and name HD2%)
      3.300     1.400     1.400 peak   699 spectrum    1 weight  0.10000E+01 volume  0.14045E-02 ppm1      7.321 ppm2      0.898 CV     1
 OR {  699}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 14   and name HD2%)
 OR {  699}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
 OR {  699}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI {  700}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 26   and name HD2%)
      3.800     1.800     1.800 peak   700 spectrum    1 weight  0.10000E+01 volume  0.82556E-03 ppm1      7.322 ppm2      0.801 CV     1
 OR {  700}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 26   and name HD2%)
 OR {  700}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 31   and name HD2%)
 OR {  700}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  707}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 7    and name HG2%)
      3.300     1.400     1.400 peak   707 spectrum    1 weight  0.10000E+01 volume  0.61119E-03 ppm1      7.352 ppm2      1.397 CV     1
 OR {  707}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  717}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      4.000     2.000     2.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.78417E-03 ppm1      3.310 ppm2      4.366 CV     1
 OR {  717}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  718}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.700     1.700     1.700 peak   718 spectrum    1 weight  0.10000E+01 volume  0.16199E-02 ppm1      3.026 ppm2      4.379 CV     1
 OR {  718}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  723}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      4.400     2.400     1.600 peak   723 spectrum    1 weight  0.10000E+01 volume  0.77902E-03 ppm1      3.306 ppm2      7.213 CV     1
 OR {  723}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  726}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.400     1.500     1.500 peak   726 spectrum    1 weight  0.10000E+01 volume  0.96676E-03 ppm1      3.306 ppm2      8.048 CV     1
 OR {  726}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  727}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.300     1.300 peak   727 spectrum    1 weight  0.10000E+01 volume  0.39902E-02 ppm1      3.020 ppm2      8.049 CV     1
 OR {  727}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  729}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      3.200     1.300     1.300 peak   729 spectrum    1 weight  0.10000E+01 volume  0.19825E-02 ppm1      3.308 ppm2      1.064 CV     1
 OR {  729}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  730}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      3.000     1.100     1.100 peak   730 spectrum    1 weight  0.10000E+01 volume  0.17531E-02 ppm1      3.031 ppm2      1.066 CV     1
 OR {  730}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  736}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB1 ))
      3.400     1.400     1.400 peak   736 spectrum    1 weight  0.10000E+01 volume  0.22311E-02 ppm1      7.227 ppm2      2.045 CV     1
 OR {  736}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB1 ))
 OR {  736}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB2 ))
 OR {  736}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB2 ))
 OR {  736}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  737}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 10   and name HG  ))
      3.100     1.200     1.200 peak   737 spectrum    1 weight  0.10000E+01 volume  0.86293E-03 ppm1      7.225 ppm2      1.906 CV     1
 OR {  737}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 14   and name HG  ))
 ASSI {  739}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 7    and name HG2%)
      2.400     0.700     0.700 peak   739 spectrum    1 weight  0.10000E+01 volume  0.28996E-02 ppm1      7.227 ppm2      1.392 CV     1
 OR {  739}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  740}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 10   and name HD2%)
      2.800     1.000     1.000 peak   740 spectrum    1 weight  0.10000E+01 volume  0.21815E-02 ppm1      7.226 ppm2      1.137 CV     1
 OR {  740}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  741}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      2.800     1.000     1.000 peak   741 spectrum    1 weight  0.10000E+01 volume  0.23853E-02 ppm1      7.226 ppm2      0.901 CV     1
 OR {  741}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
 OR {  741}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  742}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
      3.900     1.900     1.900 peak   742 spectrum    1 weight  0.10000E+01 volume  0.99270E-03 ppm1      7.229 ppm2      0.798 CV     1
 OR {  742}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
 OR {  742}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 26   and name HD2%)
 OR {  742}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 26   and name HD2%)
 OR {  742}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 75   and name HD1%)
 OR {  742}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  745}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 31   and name HA  ))
      4.000     2.000     2.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.51951E-03 ppm1      7.229 ppm2      3.311 CV     1
 OR {  745}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  752}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      2.400     0.700     0.700 peak   752 spectrum    1 weight  0.10000E+01 volume  0.26159E-02 ppm1      3.582 ppm2      4.380 CV     1
 OR {  752}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  753}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.100     1.100 peak   753 spectrum    1 weight  0.10000E+01 volume  0.25369E-02 ppm1      3.111 ppm2      4.381 CV     1
 OR {  753}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  766}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.600     1.700     1.700 peak   766 spectrum    1 weight  0.10000E+01 volume  0.13903E-02 ppm1      3.581 ppm2      8.434 CV     1
 OR {  766}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  810}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
      3.900     1.900     1.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.11214E-02 ppm1      6.989 ppm2      4.379 CV     1
 OR {  810}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 18   and name HA  ))
 OR {  810}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  811}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak   811 spectrum    1 weight  0.10000E+01 volume  0.32274E-02 ppm1      7.148 ppm2      4.382 CV     1
 OR {  811}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  812}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HA  ))
      4.400     2.500     1.600 peak   812 spectrum    1 weight  0.10000E+01 volume  0.55342E-03 ppm1      6.953 ppm2      4.388 CV     1
 OR {  812}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  820}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 40   and name HB1 ))
      3.500     1.500     1.500 peak   820 spectrum    1 weight  0.10000E+01 volume  0.16537E-02 ppm1      7.149 ppm2      3.002 CV     1
 OR {  820}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 69   and name HB1 ))
 ASSI {  829}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 44   and name HB% )
      2.800     1.000     1.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.56357E-02 ppm1      6.989 ppm2      1.543 CV     1
 OR {  829}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 44   and name HB% )
 OR {  829}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG12))
 OR {  829}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG12))
 OR {  829}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 18   and name HB% )
 OR {  829}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 18   and name HB% )
 ASSI {  845}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
      3.700     1.700     1.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.94867E-03 ppm1      6.946 ppm2      0.898 CV     1
 OR {  845}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  848}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HG  ))
      3.700     1.700     1.700 peak   848 spectrum    1 weight  0.10000E+01 volume  0.78460E-03 ppm1      6.950 ppm2      0.989 CV     1
 OR {  848}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  858}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.800     1.800     1.800 peak   858 spectrum    1 weight  0.10000E+01 volume  0.13696E-02 ppm1      4.385 ppm2      7.724 CV     1
 OR {  858}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  876}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.000     2.000     2.000 peak   876 spectrum    1 weight  0.10000E+01 volume  0.11495E-02 ppm1      4.392 ppm2      3.010 CV     1
 OR {  876}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  893}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
      3.000     1.100     1.100 peak   893 spectrum    1 weight  0.10000E+01 volume  0.19044E-02 ppm1      6.822 ppm2      3.018 CV     1
 OR {  893}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  899}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HA  ))
      3.000     3.000     3.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.76447E-03 ppm1      6.823 ppm2      4.549 CV     1
 OR {  899}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  917}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak   917 spectrum    1 weight  0.10000E+01 volume  0.28991E-02 ppm1      2.815 ppm2      8.034 CV     1
 OR {  917}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI {  919}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.200     0.600     0.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.93922E-02 ppm1      4.597 ppm2      8.015 CV     1
 OR {  919}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI {  926}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HB2 ))
      4.300     2.300     1.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.38001E-03 ppm1      3.025 ppm2      1.405 CV     1
 OR {  926}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI {  927}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
      4.500     2.500     1.500 peak   927 spectrum    1 weight  0.10000E+01 volume  0.54698E-03 ppm1      2.816 ppm2      1.399 CV     1
 OR {  927}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 65   and name HB% )
 ASSI {  928}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HG12))
      3.000     1.100     1.100 peak   928 spectrum    1 weight  0.10000E+01 volume  0.11494E-02 ppm1      3.006 ppm2      1.549 CV     1
 OR {  928}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
 OR {  928}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  929}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
      3.400     1.500     1.500 peak   929 spectrum    1 weight  0.10000E+01 volume  0.16196E-02 ppm1      2.816 ppm2      1.547 CV     1
 OR {  929}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 38   and name HG12))
 ASSI {  952}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
      4.300     2.300     1.700 peak   952 spectrum    1 weight  0.10000E+01 volume  0.57157E-03 ppm1      3.471 ppm2      7.980 CV     1
 OR {  952}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI {  957}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HA2 ))
      4.900     3.000     1.100 peak   957 spectrum    1 weight  0.10000E+01 volume  0.36575E-03 ppm1      3.468 ppm2      4.103 CV     1
 OR {  957}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HA1 ))
 OR {  957}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  957}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI {  958}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      4.300     2.300     1.700 peak   958 spectrum    1 weight  0.10000E+01 volume  0.44719E-03 ppm1      2.816 ppm2      4.107 CV     1
 OR {  958}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HA2 ))
 OR {  958}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HA1 ))
 OR {  958}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI {  963}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
      2.700     0.900     0.900 peak   963 spectrum    1 weight  0.10000E+01 volume  0.45035E-02 ppm1      3.465 ppm2      0.987 CV     1
 OR {  963}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  963}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  965}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
      2.800     1.000     1.000 peak   965 spectrum    1 weight  0.10000E+01 volume  0.26556E-02 ppm1      2.814 ppm2      0.984 CV     1
 OR {  965}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  965}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  975}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 53   and name HA  ))
      4.000     2.000     2.000 peak   975 spectrum    1 weight  0.10000E+01 volume  0.40488E-03 ppm1      7.445 ppm2      4.102 CV     1
 OR {  975}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 53   and name HA  ))
 OR {  975}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HA  ))
 OR {  975}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA1 ))
 OR {  975}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA1 ))
 ASSI {  985}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HN  ))
      2.900     2.900     3.100 peak   985 spectrum    1 weight  0.10000E+01 volume  0.85370E-03 ppm1      6.824 ppm2      8.131 CV     1
 OR {  985}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  994}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HG  ))
      3.200     1.300     1.300 peak   994 spectrum    1 weight  0.10000E+01 volume  0.14769E-02 ppm1      6.819 ppm2      1.587 CV     1
 OR {  994}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HG  ))
 OR {  994}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB2 ))
 OR {  994}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB2 ))
 ASSI {  998}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 78   and name HG2%)
      2.700     0.900     0.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.12392E-02 ppm1      6.820 ppm2      0.888 CV     1
 OR {  998}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1001}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HB2 ))
      4.000     2.000     2.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.14163E-02 ppm1      7.444 ppm2      1.594 CV     1
 OR { 1001}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HB2 ))
 OR { 1001}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 5    and name HG  ))
 OR { 1001}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 5    and name HG  ))
 OR { 1001}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 85   and name HB% )
 OR { 1001}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 85   and name HB% )
 ASSI { 1004}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 82   and name HD2%)
      2.800     1.000     1.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.45806E-02 ppm1      7.444 ppm2      1.016 CV     1
 OR { 1004}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 82   and name HD2%)
 OR { 1004}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD2%)
 OR { 1004}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD2%)
 OR { 1004}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HG2 ))
 OR { 1004}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HG2 ))
 ASSI { 1005}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 78   and name HG2%)
      3.500     1.500     1.500 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.10435E-02 ppm1      7.442 ppm2      0.890 CV     1
 OR { 1005}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1009}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 82   and name HA  ))
      2.900     1.100     1.100 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.36906E-02 ppm1      1.576 ppm2      4.248 CV     1
 OR { 1009}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 1032}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.38668E-02 ppm1      2.275 ppm2      4.227 CV     1
 OR { 1032}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1035}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      4.300     2.300     1.700 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.46781E-03 ppm1      2.263 ppm2      7.563 CV     1
 OR { 1035}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 51   and name HE  ))
 ASSI { 1037}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.900     1.000     1.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.21159E-02 ppm1      2.282 ppm2      7.829 CV     1
 OR { 1037}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
 OR { 1037}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
 ASSI { 1042}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 34   and name HE  ))
      4.300     2.400     1.700 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.42552E-03 ppm1      2.496 ppm2      8.006 CV     1
 OR { 1042}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 34   and name HE  ))
 OR { 1042}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 34   and name HE  ))
 OR { 1042}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 34   and name HE  ))
 OR { 1042}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 40   and name HN  ))
 OR { 1042}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 40   and name HN  ))
 OR { 1042}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 40   and name HN  ))
 OR { 1042}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1094}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
      2.800     1.000     1.000 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.45464E-02 ppm1      1.571 ppm2      4.235 CV     1
 OR { 1094}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 1095}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.400     0.700     0.700 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.37915E-02 ppm1      1.580 ppm2      4.219 CV     1
 OR { 1095}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 1097}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
      4.100     2.100     1.900 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.14690E-02 ppm1      0.996 ppm2      4.230 CV     1
 OR { 1097}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1105}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.45329E-02 ppm1      2.020 ppm2      8.278 CV     1
 OR { 1105}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1108}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.200     1.300     1.300 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.14972E-02 ppm1      4.235 ppm2      7.966 CV     1
 OR { 1108}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI { 1111}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 86   and name HN  ))
      4.400     2.500     1.600 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.58654E-03 ppm1      0.999 ppm2      7.964 CV     1
 OR { 1111}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 1112}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      3.100     1.200     1.200 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.12700E-02 ppm1      1.571 ppm2      7.963 CV     1
 OR { 1112}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1121}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.19220E-02 ppm1      1.572 ppm2      4.917 CV     1
 OR { 1121}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 1125}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HA  ))
      4.100     2.100     1.900 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.61591E-03 ppm1      0.999 ppm2      4.685 CV     1
 OR { 1125}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 1129}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.600     0.800     0.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.32022E-02 ppm1      1.567 ppm2      3.898 CV     1
 OR { 1129}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
 OR { 1129}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 1153}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.500     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.73268E-02 ppm1      4.235 ppm2      1.575 CV     1
 OR { 1153}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
 ASSI { 1156}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
      2.300     0.700     0.700 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.63556E-02 ppm1      0.995 ppm2      1.567 CV     1
 OR { 1156}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 1157}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB2 ))
      2.900     1.100     1.100 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.69140E-02 ppm1      0.997 ppm2      1.568 CV     1
 OR { 1157}
   (  segid "    " and resid 82   and name HD2%)
   (  segid "    " and resid 85   and name HB% )
 OR { 1157}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 1169}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
      2.400     0.700     0.700 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.87625E-02 ppm1      2.021 ppm2      0.991 CV     1
 OR { 1169}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1169}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1169}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1170}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 60   and name HD1%)
      3.200     1.300     1.300 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.21866E-02 ppm1      2.017 ppm2      0.886 CV     1
 OR { 1170}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 1170}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 1170}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1172}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 14   and name HD2%)
      2.200     0.600     0.600 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.93181E-02 ppm1      1.877 ppm2      0.904 CV     1
 OR { 1172}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1173}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
      2.400     0.700     0.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.10060E-01 ppm1      1.572 ppm2      0.995 CV     1
 OR { 1173}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1173}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 1174}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
      2.700     0.900     0.900 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.36497E-02 ppm1      1.588 ppm2      0.894 CV     1
 OR { 1174}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 OR { 1174}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
 OR { 1174}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1202}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 82   and name HN  ))
      3.800     1.800     1.800 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.95195E-03 ppm1      4.037 ppm2      8.293 CV     1
 OR { 1202}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 82   and name HN  ))
 OR { 1202}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 82   and name HN  ))
 OR { 1202}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 82   and name HN  ))
 OR { 1202}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 78   and name HN  ))
 OR { 1202}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1211}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 77   and name HA  ))
      3.600     1.700     1.700 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.11743E-02 ppm1      4.036 ppm2      4.270 CV     1
 OR { 1211}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 83   and name HA  ))
 OR { 1211}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 77   and name HA  ))
 OR { 1211}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI { 1219}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 83   and name HB% )
      3.100     1.200     1.200 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.34799E-02 ppm1      4.039 ppm2      1.616 CV     1
 OR { 1219}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 81   and name HB% )
 OR { 1219}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 83   and name HB% )
 OR { 1219}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 81   and name HB% )
 ASSI { 1232}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      4.000     2.000     2.000 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.10296E-02 ppm1      2.786 ppm2      0.895 CV     1
 OR { 1232}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
 OR { 1232}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1288}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.500     1.500 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.14716E-02 ppm1      0.883 ppm2      8.886 CV     1
 OR { 1288}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 1293}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.900     0.900 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.45854E-02 ppm1      3.755 ppm2      8.295 CV     1
 OR { 1293}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1313}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.69247E-03 ppm1      0.808 ppm2      4.297 CV     1
 OR { 1313}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 OR { 1313}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1319}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.58815E-03 ppm1      0.805 ppm2      4.120 CV     1
 OR { 1319}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 1322}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.800     1.800     1.800 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.73306E-03 ppm1      0.886 ppm2      2.786 CV     1
 OR { 1322}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 53   and name HG1 ))
 OR { 1322}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1339}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.800     1.000     1.000 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.28893E-02 ppm1      3.754 ppm2      1.945 CV     1
 OR { 1339}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1341}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HB  ))
      2.400     0.700     0.700 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.32947E-02 ppm1      1.748 ppm2      1.941 CV     1
 OR { 1341}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1357}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 81   and name HB% )
      3.400     1.500     1.500 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.19768E-02 ppm1      0.884 ppm2      1.613 CV     1
 OR { 1357}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1376}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      3.000     1.100     1.100 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.22104E-02 ppm1      3.755 ppm2      0.977 CV     1
 OR { 1376}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1376}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1376}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1376}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1384}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HG2%)
      2.600     0.800     0.800 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.31762E-02 ppm1      1.947 ppm2      0.884 CV     1
 OR { 1384}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 52   and name HD1%)
 OR { 1384}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1388}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HD1%)
      2.600     0.900     0.900 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.29144E-02 ppm1      1.947 ppm2      0.809 CV     1
 OR { 1388}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1398}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 60   and name HG12))
      2.700     0.900     0.900 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.14750E-02 ppm1      0.804 ppm2      1.150 CV     1
 OR { 1398}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 48   and name HG2%)
 OR { 1398}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 1399}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
      2.300     0.600     0.600 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.63862E-02 ppm1      0.807 ppm2      1.066 CV     1
 OR { 1399}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
 OR { 1399}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1400}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
      2.100     2.100     3.900 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.57914E-02 ppm1      0.806 ppm2      1.002 CV     1
 OR { 1400}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 60   and name HG2%)
 OR { 1400}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
 OR { 1400}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 82   and name HD2%)
 OR { 1400}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1405}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 60   and name HD1%)
      2.400     0.700     0.700 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.28586E-02 ppm1      1.284 ppm2      0.869 CV     1
 OR { 1405}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 78   and name HG2%)
 OR { 1405}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1418}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
      2.400     0.700     0.700 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.10310E-01 ppm1      4.294 ppm2      0.987 CV     1
 OR { 1418}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1418}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 OR { 1418}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 1418}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1421}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 60   and name HG12))
      3.100     1.200     1.200 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.14553E-02 ppm1      1.823 ppm2      1.128 CV     1
 OR { 1421}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 1422}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.800     1.800     1.800 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.21623E-02 ppm1      4.317 ppm2      0.861 CV     1
 OR { 1422}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 1422}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1433}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.300     0.600     0.600 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.88339E-02 ppm1      4.289 ppm2      1.921 CV     1
 OR { 1433}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 1434}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.300     0.600     0.600 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.80420E-02 ppm1      4.284 ppm2      1.838 CV     1
 OR { 1434}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 1435}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.600     0.800     0.800 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.70960E-02 ppm1      4.289 ppm2      2.037 CV     1
 OR { 1435}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1441}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.600     1.600     1.600 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.14190E-02 ppm1      4.278 ppm2      2.206 CV     1
 OR { 1441}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 1441}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI { 1451}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.800     1.000     1.000 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.32084E-02 ppm1      4.309 ppm2      2.440 CV     1
 OR { 1451}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI { 1464}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.37765E-02 ppm1      1.929 ppm2      4.288 CV     1
 OR { 1464}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1467}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 61   and name HD1 ))
      3.200     1.300     1.300 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.19988E-02 ppm1      0.968 ppm2      4.032 CV     1
 OR { 1467}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 61   and name HD1 ))
 OR { 1467}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 80   and name HA2 ))
 ASSI { 1472}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.32218E-02 ppm1      1.840 ppm2      7.731 CV     1
 OR { 1472}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1524}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
      3.600     1.600     1.600 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.67406E-03 ppm1      1.570 ppm2      0.473 CV     1
 OR { 1524}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 1532}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
      3.000     1.100     1.100 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.17502E-02 ppm1      0.872 ppm2      0.600 CV     1
 OR { 1532}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1536}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      2.400     0.700     0.700 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.28861E-02 ppm1      1.568 ppm2      0.812 CV     1
 OR { 1536}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1542}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 10   and name HD2%)
      2.800     1.000     1.000 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.46543E-02 ppm1      0.804 ppm2      1.146 CV     1
 OR { 1542}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 1543}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HB2 ))
      3.100     1.200     1.200 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.15922E-02 ppm1      0.805 ppm2      1.079 CV     1
 OR { 1543}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1544}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 10   and name HD2%)
      2.300     0.700     0.700 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.79303E-02 ppm1      0.870 ppm2      1.141 CV     1
 OR { 1544}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 1545}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
      2.100     0.600     0.600 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.10953E-01 ppm1      0.866 ppm2      1.062 CV     1
 OR { 1545}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 OR { 1545}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1546}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
      2.700     2.700     3.300 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.11672E-01 ppm1      0.874 ppm2      0.987 CV     1
 OR { 1546}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
 OR { 1546}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 82   and name HD1%)
 OR { 1546}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 82   and name HD2%)
 OR { 1546}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 82   and name HD1%)
 OR { 1546}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 4    and name HD2%)
 OR { 1546}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 55   and name HG2 ))
 OR { 1546}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1548}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
      3.000     1.200     1.200 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.16759E-02 ppm1      3.901 ppm2      1.057 CV     1
 OR { 1548}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1548}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1551}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.400     0.700     0.700 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.48725E-02 ppm1      0.805 ppm2      1.385 CV     1
 OR { 1551}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1553}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
      3.100     1.200     1.200 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.29398E-02 ppm1      0.878 ppm2      1.396 CV     1
 OR { 1553}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 OR { 1553}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 55   and name HG1 ))
 ASSI { 1555}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HB2 ))
      1.700     0.300     0.500 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.10931E-01 ppm1      2.192 ppm2      1.565 CV     1
 OR { 1555}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1556}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
      2.000     0.500     0.500 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.90400E-02 ppm1      0.804 ppm2      1.572 CV     1
 OR { 1556}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 OR { 1556}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 OR { 1556}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 1557}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.200     0.600     0.600 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.94309E-02 ppm1      0.880 ppm2      1.563 CV     1
 OR { 1557}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1557}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 5    and name HB1 ))
 OR { 1557}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1557}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1561}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      1.900     0.400     0.400 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.24187E-01 ppm1      0.880 ppm2      1.698 CV     1
 OR { 1561}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
 ASSI { 1563}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HG  ))
      3.000     1.100     1.100 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.31889E-02 ppm1      1.564 ppm2      1.694 CV     1
 OR { 1563}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 75   and name HG  ))
 OR { 1563}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 1564}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.900     1.000     1.000 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.20082E-02 ppm1      3.903 ppm2      1.946 CV     1
 OR { 1564}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1565}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.200     1.300     1.300 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.78439E-03 ppm1      0.805 ppm2      1.924 CV     1
 OR { 1565}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 1585}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HB2 ))
      4.300     2.300     1.700 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.76076E-03 ppm1      0.883 ppm2      2.775 CV     1
 OR { 1585}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
 OR { 1585}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HB1 ))
 ASSI { 1590}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HB1 ))
      4.700     2.800     1.300 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.56373E-03 ppm1      0.883 ppm2      3.083 CV     1
 OR { 1590}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 55   and name HD1 ))
 ASSI { 1605}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      2.100     0.600     0.600 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.85466E-02 ppm1      0.804 ppm2      3.895 CV     1
 OR { 1605}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 1607}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.39132E-02 ppm1      0.880 ppm2      3.895 CV     1
 OR { 1607}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 OR { 1607}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 1612}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      4.100     2.100     1.900 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.67298E-03 ppm1      0.804 ppm2      4.229 CV     1
 OR { 1612}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1647}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
      3.800     1.800     1.800 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.68377E-03 ppm1      0.804 ppm2      8.856 CV     1
 OR { 1647}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
 OR { 1647}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 1652}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.13104E-02 ppm1      1.576 ppm2      8.848 CV     1
 OR { 1652}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 1713}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.400     0.700     0.700 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.36230E-02 ppm1      4.320 ppm2      2.226 CV     1
 OR { 1713}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1719}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.200     0.600     0.600 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.63798E-02 ppm1      4.308 ppm2      1.696 CV     1
 OR { 1719}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 1757}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.300     1.300     1.300 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.17370E-02 ppm1      4.218 ppm2      7.827 CV     1
 OR { 1757}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1767}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.37400E-02 ppm1      2.632 ppm2      4.223 CV     1
 OR { 1767}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1782}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.800     1.000     1.000 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.51427E-02 ppm1      4.259 ppm2      2.754 CV     1
 OR { 1782}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 1788}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.600     0.900     0.900 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.76248E-02 ppm1      4.248 ppm2      2.484 CV     1
 OR { 1788}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 1807}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      2.700     0.900     0.900 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.42990E-02 ppm1      2.276 ppm2      4.400 CV     1
 OR { 1807}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1820}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.500     1.600     1.600 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.19491E-02 ppm1      3.622 ppm2      0.797 CV     1
 OR { 1820}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1824}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.600     1.600     1.600 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.12394E-02 ppm1      3.621 ppm2      1.047 CV     1
 OR { 1824}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1824}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 1824}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1826}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.800     1.000     1.000 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.52073E-02 ppm1      3.621 ppm2      1.543 CV     1
 OR { 1826}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1832}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
      1.600     0.300     0.600 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.14356E-01 ppm1      1.893 ppm2      1.601 CV     1
 OR { 1832}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1837}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 38   and name HG2%)
      2.500     0.800     0.800 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.34036E-02 ppm1      1.537 ppm2      1.061 CV     1
 OR { 1837}
   (( segid "    " and resid 60   and name HG11))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1868}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HD2 ))
      2.900     1.100     1.100 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.17725E-02 ppm1      1.545 ppm2      3.030 CV     1
 OR { 1868}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1871}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.900     1.000     1.000 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.13567E-02 ppm1      1.892 ppm2      3.015 CV     1
 OR { 1871}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI { 1872}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.500     1.500     1.500 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.11144E-02 ppm1      1.602 ppm2      3.017 CV     1
 OR { 1872}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD2 ))
 ASSI { 1895}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.49910E-02 ppm1      1.895 ppm2      4.104 CV     1
 OR { 1895}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 1948}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HG2 ))
      3.300     1.300     1.300 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.14031E-02 ppm1      1.075 ppm2      1.634 CV     1
 OR { 1948}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1956}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB2 ))
      2.900     1.100     1.100 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.43579E-02 ppm1      1.076 ppm2      2.868 CV     1
 OR { 1956}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HD2 ))
 ASSI { 1969}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      3.400     1.400     1.400 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.19277E-02 ppm1      1.076 ppm2      8.449 CV     1
 OR { 1969}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 2049}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      3.800     1.800     1.800 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.70090E-03 ppm1      2.079 ppm2      7.464 CV     1
 OR { 2049}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 2050}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      3.800     1.800     1.800 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.89337E-03 ppm1      1.874 ppm2      7.459 CV     1
 OR { 2050}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 2089}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
      2.000     0.500     0.500 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.20413E-01 ppm1      1.757 ppm2      1.875 CV     1
 OR { 2089}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HB1 ))
 OR { 2089}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2091}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HG2 ))
      2.500     0.800     0.800 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.54161E-02 ppm1      3.301 ppm2      1.734 CV     1
 OR { 2091}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HG1 ))
 OR { 2091}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HG2 ))
 OR { 2091}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HG1 ))
 OR { 2091}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 2107}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 68   and name HN  ))
      4.400     2.500     1.600 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.59626E-03 ppm1      4.128 ppm2      7.453 CV     1
 OR { 2107}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 2108}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 68   and name HN  ))
      3.800     1.800     1.800 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.59256E-03 ppm1      3.930 ppm2      7.462 CV     1
 OR { 2108}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 2145}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 64   and name HN  ))
      4.500     2.500     1.500 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.71695E-03 ppm1      1.418 ppm2      7.450 CV     1
 OR { 2145}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 2146}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      4.300     2.300     1.700 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.53605E-03 ppm1      4.039 ppm2      7.464 CV     1
 OR { 2146}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 2168}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      5.000     3.100     1.000 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.26210E-03 ppm1      4.031 ppm2      2.051 CV     1
 OR { 2168}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 2171}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 60   and name HB  ))
      3.400     1.400     1.400 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.68474E-03 ppm1      1.422 ppm2      1.834 CV     1
 OR { 2171}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 2175}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      4.500     2.500     1.500 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.30419E-03 ppm1      4.035 ppm2      1.543 CV     1
 OR { 2175}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 60   and name HG11))
 ASSI { 2182}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
      2.800     1.000     1.000 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.46116E-02 ppm1      4.039 ppm2      0.988 CV     1
 OR { 2182}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 2182}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 2183}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.800     1.000     1.000 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.45797E-02 ppm1      1.417 ppm2      1.006 CV     1
 OR { 2183}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 64   and name HG1%)
 OR { 2183}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 74   and name HG  ))
 OR { 2183}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 2204}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.200     1.300     1.300 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.12561E-02 ppm1      3.883 ppm2      2.085 CV     1
 OR { 2204}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 2236}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.31636E-02 ppm1      3.882 ppm2      7.450 CV     1
 OR { 2236}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 2257}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.21879E-02 ppm1      1.046 ppm2      8.476 CV     1
 OR { 2257}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 2313}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     0.900     0.900 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.36879E-02 ppm1      4.477 ppm2      8.504 CV     1
 OR { 2313}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 2316}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.53668E-02 ppm1      2.840 ppm2      8.496 CV     1
 OR { 2316}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
 OR { 2316}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 OR { 2316}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2317}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.200     1.300     1.300 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.50202E-03 ppm1      2.766 ppm2      8.500 CV     1
 OR { 2317}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 2317}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 2351}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HN  ))
      4.100     2.100     1.900 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.25343E-03 ppm1      3.587 ppm2      8.305 CV     1
 OR { 2351}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2412}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
      4.500     2.500     1.500 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.10218E-02 ppm1      4.546 ppm2      1.034 CV     1
 OR { 2412}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 2414}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 64   and name HG2%)
      2.800     1.000     1.000 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.27510E-02 ppm1      2.142 ppm2      1.024 CV     1
 OR { 2414}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 2414}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 2414}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 2414}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 60   and name HG2%)
 OR { 2414}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 2416}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 60   and name HG2%)
      3.200     1.300     1.300 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.45676E-02 ppm1      4.027 ppm2      1.020 CV     1
 OR { 2416}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 2478}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HA  ))
      3.300     1.300     1.300 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.14176E-02 ppm1      1.525 ppm2      4.633 CV     1
 OR { 2478}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HA  ))
 ASSI { 2494}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HN  ))
      4.100     2.100     1.900 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.80194E-03 ppm1      1.134 ppm2      8.308 CV     1
 OR { 2494}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2502}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HN  ))
      3.800     1.800     1.800 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.91447E-03 ppm1      0.932 ppm2      8.279 CV     1
 OR { 2502}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2537}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      3.600     1.600     1.600 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.19016E-02 ppm1      0.982 ppm2      4.233 CV     1
 OR { 2537}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 2539}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      3.600     1.700     1.700 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.88816E-03 ppm1      0.931 ppm2      4.239 CV     1
 OR { 2539}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 2542}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.43074E-02 ppm1      0.932 ppm2      4.115 CV     1
 OR { 2542}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HA1 ))
 ASSI { 2545}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 78   and name HA  ))
      4.600     2.700     1.400 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.33527E-03 ppm1      2.138 ppm2      3.770 CV     1
 OR { 2545}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 2546}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      3.700     1.700     1.700 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.69129E-03 ppm1      0.983 ppm2      3.757 CV     1
 OR { 2546}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 2547}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
      3.700     1.700     1.700 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.13896E-02 ppm1      0.931 ppm2      3.752 CV     1
 OR { 2547}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 2566}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.900     1.000     1.000 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.63760E-02 ppm1      4.676 ppm2      0.979 CV     1
 OR { 2566}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2578}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HA  ))
      3.600     1.700     1.700 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.84521E-03 ppm1      4.101 ppm2      4.694 CV     1
 OR { 2578}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HA  ))
 OR { 2578}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HA  ))
 OR { 2578}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HA  ))
 OR { 2578}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HA  ))
 OR { 2578}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 2637}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.800     1.000     1.000 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.18421E-02 ppm1      1.374 ppm2      3.013 CV     1
 OR { 2637}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 2641}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.34362E-02 ppm1      1.373 ppm2      1.892 CV     1
 OR { 2641}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 14   and name HG  ))
 ASSI { 2645}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.100     0.500     0.500 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.10135E-01 ppm1      1.387 ppm2      1.586 CV     1
 OR { 2645}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR { 2645}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2670}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.100     0.500     0.500 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.22363E-01 ppm1      4.386 ppm2      4.117 CV     1
 OR { 2670}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 2670}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HA1 ))
 OR { 2670}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 2708}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
      3.900     1.900     1.900 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.53403E-03 ppm1      2.758 ppm2      1.535 CV     1
 OR { 2708}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 60   and name HG11))
 ASSI { 2710}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 60   and name HG11))
      2.900     1.100     1.100 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.55460E-03 ppm1      2.325 ppm2      1.520 CV     1
 OR { 2710}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 2722}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      1.800     0.400     0.400 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.11886E-01 ppm1      2.361 ppm2      2.472 CV     1
 OR { 2722}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 2728}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.800     0.800 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.31265E-02 ppm1      2.482 ppm2      4.118 CV     1
 OR { 2728}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 2728}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 2729}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 17   and name HB1 ))
      2.800     1.000     1.000 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.24394E-02 ppm1      2.370 ppm2      4.119 CV     1
 OR { 2729}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
 OR { 2729}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 2729}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 2731}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.000     1.000 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.25654E-02 ppm1      2.757 ppm2      4.118 CV     1
 OR { 2731}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 2783}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      4.100     2.100     1.900 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.87319E-03 ppm1      1.044 ppm2      3.944 CV     1
 OR { 2783}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
 OR { 2783}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 2798}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 13   and name HN  ))
      3.700     1.700     1.700 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.10805E-02 ppm1      1.045 ppm2      7.720 CV     1
 OR { 2798}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 2848}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 47   and name HN  ))
      4.000     2.000     2.000 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.64668E-03 ppm1      1.661 ppm2      8.467 CV     1
 OR { 2848}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 2864}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      5.200     3.400     0.800 peak  2864 spectrum    1 weight  0.10000E+01 volume  0.23845E-03 ppm1      3.960 ppm2      0.877 CV     1
 OR { 2864}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 OR { 2864}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2868}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      4.200     2.200     1.800 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.36102E-03 ppm1      3.965 ppm2      2.350 CV     1
 OR { 2868}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 2890}
   (( segid "    " and resid 47   and name HG1 ))
   (  segid "    " and resid 43   and name HD2%)
      3.400     1.400     1.400 peak  2890 spectrum    1 weight  0.10000E+01 volume  0.51266E-03 ppm1      2.601 ppm2      1.075 CV     1
 OR { 2890}
   (( segid "    " and resid 47   and name HG1 ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 2890}
   (( segid "    " and resid 47   and name HG1 ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 2890}
   (( segid "    " and resid 47   and name HG1 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 2891}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 43   and name HD2%)
      3.300     1.400     1.400 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.53497E-03 ppm1      2.473 ppm2      1.068 CV     1
 OR { 2891}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 2891}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2895}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.500     0.800     0.800 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.59674E-02 ppm1      4.238 ppm2      1.663 CV     1
 OR { 2895}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2903}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.700     0.900     0.900 peak  2903 spectrum    1 weight  0.10000E+01 volume  0.55782E-02 ppm1      4.240 ppm2      2.347 CV     1
 OR { 2903}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 2904}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.200     0.600     0.600 peak  2904 spectrum    1 weight  0.10000E+01 volume  0.10227E-01 ppm1      4.244 ppm2      2.210 CV     1
 OR { 2904}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2947}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.33800E-02 ppm1      2.848 ppm2      4.270 CV     1
 OR { 2947}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 2948}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.27778E-02 ppm1      2.755 ppm2      4.266 CV     1
 OR { 2948}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
 OR { 2948}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 2953}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      2.700     0.900     0.900 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.42688E-02 ppm1      4.265 ppm2      1.546 CV     1
 OR { 2953}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
 OR { 2953}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2957}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 49   and name HB% )
      4.300     2.300     1.700 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.43542E-03 ppm1      2.331 ppm2      1.542 CV     1
 OR { 2957}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 49   and name HB% )
 OR { 2957}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2959}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 44   and name HB% )
      4.300     2.300     1.700 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.47851E-03 ppm1      2.853 ppm2      1.556 CV     1
 OR { 2959}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 2960}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 44   and name HB% )
      4.400     2.500     1.600 peak  2960 spectrum    1 weight  0.10000E+01 volume  0.47385E-03 ppm1      2.758 ppm2      1.556 CV     1
 OR { 2960}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 2981}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 42   and name H32A))
      4.700     2.800     1.300 peak  2981 spectrum    1 weight  0.10000E+01 volume  0.17602E-03 ppm1      2.761 ppm2      4.137 CV     1
 OR { 2981}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 2989}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.600     0.800     0.800 peak  2989 spectrum    1 weight  0.10000E+01 volume  0.43966E-02 ppm1      4.264 ppm2      8.240 CV     1
 OR { 2989}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 2989}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 3001}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      3.300     1.400     1.400 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.17523E-02 ppm1      3.921 ppm2      1.389 CV     1
 OR { 3001}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 3019}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
      3.300     1.300     1.300 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.20300E-02 ppm1      0.238 ppm2      0.982 CV     1
 OR { 3019}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 42   and name H30%)
 OR { 3019}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 3020}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 74   and name HG  ))
      2.900     1.000     1.000 peak  3020 spectrum    1 weight  0.10000E+01 volume  0.20842E-02 ppm1      0.374 ppm2      0.984 CV     1
 OR { 3020}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 42   and name H30%)
 ASSI { 3024}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
      3.600     1.600     1.600 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.12502E-02 ppm1      0.238 ppm2      1.069 CV     1
 OR { 3024}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 42   and name H31%)
 OR { 3024}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 3028}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.200     0.600     0.600 peak  3028 spectrum    1 weight  0.10000E+01 volume  0.80194E-02 ppm1      3.915 ppm2      1.567 CV     1
 OR { 3028}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR { 3028}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 3028}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 3028}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 3048}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.000     3.000     3.000 peak  3048 spectrum    1 weight  0.10000E+01 volume  0.96762E-03 ppm1      0.238 ppm2      2.812 CV     1
 OR { 3048}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 62   and name HB1 ))
 OR { 3048}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 3068}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      3.800     1.800     1.800 peak  3068 spectrum    1 weight  0.10000E+01 volume  0.62778E-03 ppm1      0.238 ppm2      4.037 CV     1
 OR { 3068}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 3069}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak  3069 spectrum    1 weight  0.10000E+01 volume  0.33291E-02 ppm1      0.239 ppm2      3.922 CV     1
 OR { 3069}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 66   and name HA2 ))
 ASSI { 3079}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
      3.800     1.800     1.800 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.78653E-03 ppm1      0.237 ppm2      4.398 CV     1
 OR { 3079}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 3080}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
      3.600     1.700     1.700 peak  3080 spectrum    1 weight  0.10000E+01 volume  0.86277E-03 ppm1      0.239 ppm2      4.257 CV     1
 OR { 3080}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 3081}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
      4.000     2.000     2.000 peak  3081 spectrum    1 weight  0.10000E+01 volume  0.87254E-03 ppm1      0.374 ppm2      4.392 CV     1
 OR { 3081}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 3082}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HA  ))
      3.200     1.300     1.300 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.22986E-02 ppm1      0.374 ppm2      4.257 CV     1
 OR { 3082}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 OR { 3082}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 3083}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.900     1.000     1.000 peak  3083 spectrum    1 weight  0.10000E+01 volume  0.25686E-02 ppm1      3.923 ppm2      4.425 CV     1
 OR { 3083}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 3094}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      3.800     1.800     1.800 peak  3094 spectrum    1 weight  0.10000E+01 volume  0.16660E-02 ppm1      0.238 ppm2      6.967 CV     1
 OR { 3094}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
 ASSI { 3101}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 68   and name HN  ))
      5.000     3.100     1.000 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.40659E-03 ppm1      0.372 ppm2      7.466 CV     1
 OR { 3101}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 3120}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
      4.500     2.600     1.500 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.94303E-03 ppm1      0.237 ppm2      8.466 CV     1
 OR { 3120}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 3121}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HN  ))
      4.100     2.100     1.900 peak  3121 spectrum    1 weight  0.10000E+01 volume  0.12218E-02 ppm1      0.372 ppm2      8.461 CV     1
 OR { 3121}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 3130}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB2 ))
      3.600     1.700     1.700 peak  3130 spectrum    1 weight  0.10000E+01 volume  0.20526E-02 ppm1      1.542 ppm2      2.819 CV     1
 OR { 3130}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 3134}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
      2.300     0.700     0.700 peak  3134 spectrum    1 weight  0.10000E+01 volume  0.61081E-02 ppm1      4.370 ppm2      0.993 CV     1
 OR { 3134}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 3136}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      3.400     1.400     1.400 peak  3136 spectrum    1 weight  0.10000E+01 volume  0.21889E-02 ppm1      4.329 ppm2      1.075 CV     1
 OR { 3136}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
 OR { 3136}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 3162}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.300     1.300 peak  3162 spectrum    1 weight  0.10000E+01 volume  0.17100E-02 ppm1      4.331 ppm2      8.483 CV     1
 OR { 3162}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 3169}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      3.800     1.800     1.800 peak  3169 spectrum    1 weight  0.10000E+01 volume  0.12240E-02 ppm1      1.540 ppm2      7.828 CV     1
 OR { 3169}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 3237}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 47   and name HB1 ))
      5.900     4.300     0.100 peak  3237 spectrum    1 weight  0.10000E+01 volume  0.15800E-03 ppm1      1.902 ppm2      2.341 CV     1
 OR { 3237}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 46   and name HB2 ))
 OR { 3237}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 3238}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 46   and name HB2 ))
      5.600     4.000     0.400 peak  3238 spectrum    1 weight  0.10000E+01 volume  0.29321E-03 ppm1      1.837 ppm2      2.339 CV     1
 OR { 3238}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 47   and name HB1 ))
 OR { 3238}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 3266}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.300     1.300 peak  3266 spectrum    1 weight  0.10000E+01 volume  0.16913E-02 ppm1      4.258 ppm2      8.466 CV     1
 OR { 3266}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 3336}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
      3.800     1.800     1.800 peak  3336 spectrum    1 weight  0.10000E+01 volume  0.78906E-03 ppm1      6.763 ppm2      8.474 CV     1
 OR { 3336}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
 OR { 3336}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 15   and name HN  ))
 OR { 3336}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 15   and name HN  ))
 OR { 3336}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 47   and name HN  ))
 OR { 3336}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 3353}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HA  ))
      4.400     2.400     1.600 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.52246E-03 ppm1      6.759 ppm2      4.594 CV     1
 OR { 3353}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 3355}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak  3355 spectrum    1 weight  0.10000E+01 volume  0.14714E-02 ppm1      6.765 ppm2      4.392 CV     1
 OR { 3355}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
 OR { 3355}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 18   and name HA  ))
 OR { 3355}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 3362}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.300     1.300 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.16337E-02 ppm1      6.765 ppm2      3.924 CV     1
 OR { 3362}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 3366}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 18   and name HB% )
      2.500     0.800     0.800 peak  3366 spectrum    1 weight  0.10000E+01 volume  0.40825E-02 ppm1      6.763 ppm2      1.545 CV     1
 OR { 3366}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 44   and name HB% )
 ASSI { 3369}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HG2%)
      3.500     1.500     1.500 peak  3369 spectrum    1 weight  0.10000E+01 volume  0.60287E-03 ppm1      6.767 ppm2      1.088 CV     1
 OR { 3369}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HG2%)
 OR { 3369}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 74   and name HD1%)
 OR { 3369}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 74   and name HD1%)
 OR { 3369}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 43   and name HD2%)
 OR { 3369}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 43   and name HD2%)
 OR { 3369}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 74   and name HD2%)
 OR { 3369}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 3371}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
      3.000     1.100     1.100 peak  3371 spectrum    1 weight  0.10000E+01 volume  0.24713E-02 ppm1      6.763 ppm2      0.893 CV     1
 OR { 3371}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 3390}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 38   and name HA  ))
      4.600     2.600     1.400 peak  3390 spectrum    1 weight  0.10000E+01 volume  0.28093E-03 ppm1      4.269 ppm2      4.627 CV     1
 OR { 3390}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 3407}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      4.200     2.200     1.800 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.48279E-03 ppm1      0.888 ppm2      8.455 CV     1
 OR { 3407}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
 OR { 3407}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 3408}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      4.800     2.800     1.200 peak  3408 spectrum    1 weight  0.10000E+01 volume  0.36727E-03 ppm1      0.854 ppm2      8.464 CV     1
 OR { 3408}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 3417}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      3.500     1.500     1.500 peak  3417 spectrum    1 weight  0.10000E+01 volume  0.17146E-02 ppm1      2.452 ppm2      7.732 CV     1
 OR { 3417}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 3418}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HN  ))
      2.200     0.600     0.600 peak  3418 spectrum    1 weight  0.10000E+01 volume  0.30698E-02 ppm1      1.547 ppm2      7.730 CV     1
 OR { 3418}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 3419}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      4.300     2.300     1.700 peak  3419 spectrum    1 weight  0.10000E+01 volume  0.17261E-02 ppm1      0.891 ppm2      7.732 CV     1
 OR { 3419}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 3437}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HA  ))
      3.800     1.800     1.800 peak  3437 spectrum    1 weight  0.10000E+01 volume  0.87941E-03 ppm1      1.835 ppm2      4.638 CV     1
 OR { 3437}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 3438}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.100     1.100 peak  3438 spectrum    1 weight  0.10000E+01 volume  0.21572E-02 ppm1      1.843 ppm2      4.385 CV     1
 OR { 3438}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 3445}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      4.300     2.400     1.700 peak  3445 spectrum    1 weight  0.10000E+01 volume  0.44898E-03 ppm1      0.892 ppm2      4.739 CV     1
 OR { 3445}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 34   and name HA  ))
 ASSI { 3454}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
      4.200     2.200     1.800 peak  3454 spectrum    1 weight  0.10000E+01 volume  0.59943E-03 ppm1      0.890 ppm2      4.234 CV     1
 OR { 3454}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
 OR { 3454}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 3455}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HD1 ))
      3.700     1.700     1.700 peak  3455 spectrum    1 weight  0.10000E+01 volume  0.58869E-03 ppm1      0.893 ppm2      4.053 CV     1
 OR { 3455}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 3459}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      4.000     2.000     2.000 peak  3459 spectrum    1 weight  0.10000E+01 volume  0.94518E-03 ppm1      0.891 ppm2      3.303 CV     1
 OR { 3459}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 3463}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      3.300     1.400     1.400 peak  3463 spectrum    1 weight  0.10000E+01 volume  0.11435E-02 ppm1      0.891 ppm2      3.014 CV     1
 OR { 3463}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 3489}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HG12))
      1.700     0.400     0.500 peak  3489 spectrum    1 weight  0.10000E+01 volume  0.11182E-01 ppm1      1.841 ppm2      1.546 CV     1
 OR { 3489}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HB2 ))
 OR { 3489}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 3497}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 38   and name HG2%)
      3.200     1.300     1.300 peak  3497 spectrum    1 weight  0.10000E+01 volume  0.29564E-02 ppm1      1.841 ppm2      1.061 CV     1
 OR { 3497}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 3497}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 3502}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 38   and name HD1%)
      2.200     0.600     0.600 peak  3502 spectrum    1 weight  0.10000E+01 volume  0.61001E-02 ppm1      1.850 ppm2      0.891 CV     1
 OR { 3502}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 3504}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 75   and name HD1%)
      4.000     2.000     2.000 peak  3504 spectrum    1 weight  0.10000E+01 volume  0.16627E-02 ppm1      1.568 ppm2      0.802 CV     1
 OR { 3504}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 3516}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      3.800     1.800     1.800 peak  3516 spectrum    1 weight  0.10000E+01 volume  0.63583E-03 ppm1      3.094 ppm2      1.063 CV     1
 OR { 3516}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 3518}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HB2 ))
      4.500     2.600     1.500 peak  3518 spectrum    1 weight  0.10000E+01 volume  0.69950E-03 ppm1      3.035 ppm2      1.409 CV     1
 OR { 3518}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 3519}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      4.700     2.800     1.300 peak  3519 spectrum    1 weight  0.10000E+01 volume  0.52055E-03 ppm1      3.088 ppm2      1.868 CV     1
 OR { 3519}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 3520}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      4.000     2.000     2.000 peak  3520 spectrum    1 weight  0.10000E+01 volume  0.91791E-03 ppm1      3.004 ppm2      1.861 CV     1
 OR { 3520}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 3528}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.500     1.500     1.500 peak  3528 spectrum    1 weight  0.10000E+01 volume  0.88741E-03 ppm1      3.087 ppm2      7.732 CV     1
 OR { 3528}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 3529}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      3.700     1.700     1.700 peak  3529 spectrum    1 weight  0.10000E+01 volume  0.12644E-02 ppm1      3.004 ppm2      7.727 CV     1
 OR { 3529}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 3537}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 34   and name HB2 ))
      4.500     2.500     1.500 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.78589E-03 ppm1      2.495 ppm2      1.856 CV     1
 OR { 3537}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 34   and name HB2 ))
 OR { 3537}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
 OR { 3537}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
 OR { 3537}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 38   and name HG11))
 OR { 3537}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 38   and name HG11))
 OR { 3537}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 3561}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.400     1.400 peak  3561 spectrum    1 weight  0.10000E+01 volume  0.11970E-02 ppm1      4.371 ppm2      7.724 CV     1
 OR { 3561}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 3583}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HD2 ))
      2.500     0.800     0.800 peak  3583 spectrum    1 weight  0.10000E+01 volume  0.46173E-02 ppm1      1.937 ppm2      3.352 CV     1
 OR { 3583}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HD2 ))
 OR { 3583}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HD1 ))
 ASSI { 3598}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG1 ))
      2.500     0.800     0.800 peak  3598 spectrum    1 weight  0.10000E+01 volume  0.50340E-02 ppm1      3.453 ppm2      1.974 CV     1
 OR { 3598}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 3606}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.900     1.100     1.100 peak  3606 spectrum    1 weight  0.10000E+01 volume  0.32567E-02 ppm1      3.453 ppm2      2.196 CV     1
 OR { 3606}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 3613}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 48   and name HA  ))
      4.700     2.700     1.300 peak  3613 spectrum    1 weight  0.10000E+01 volume  0.36927E-03 ppm1      3.449 ppm2      3.958 CV     1
 OR { 3613}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 3619}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 13   and name HA  ))
      4.200     2.200     1.800 peak  3619 spectrum    1 weight  0.10000E+01 volume  0.66772E-03 ppm1      3.454 ppm2      4.397 CV     1
 OR { 3619}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 36   and name HA  ))
 OR { 3619}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 3620}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
      4.200     2.200     1.800 peak  3620 spectrum    1 weight  0.10000E+01 volume  0.70181E-03 ppm1      3.309 ppm2      4.396 CV     1
 OR { 3620}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 3638}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.500     1.500 peak  3638 spectrum    1 weight  0.10000E+01 volume  0.69967E-03 ppm1      2.199 ppm2      7.567 CV     1
 OR { 3638}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HE  ))
 ASSI { 3644}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HE  ))
      3.400     1.500     1.500 peak  3644 spectrum    1 weight  0.10000E+01 volume  0.15738E-02 ppm1      1.933 ppm2      7.998 CV     1
 OR { 3644}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 3646}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HN  ))
      4.900     3.000     1.100 peak  3646 spectrum    1 weight  0.10000E+01 volume  0.37770E-03 ppm1      3.457 ppm2      8.158 CV     1
 OR { 3646}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 3648}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HE  ))
      3.100     1.200     1.200 peak  3648 spectrum    1 weight  0.10000E+01 volume  0.18127E-02 ppm1      3.361 ppm2      8.001 CV     1
 OR { 3648}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 3652}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 52   and name HN  ))
      4.400     2.500     1.600 peak  3652 spectrum    1 weight  0.10000E+01 volume  0.72672E-03 ppm1      3.454 ppm2      8.456 CV     1
 OR { 3652}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 3669}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      2.400     0.700     0.700 peak  3669 spectrum    1 weight  0.10000E+01 volume  0.65972E-02 ppm1      1.791 ppm2      1.066 CV     1
 OR { 3669}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 3690}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB2 ))
      4.200     2.200     1.800 peak  3690 spectrum    1 weight  0.10000E+01 volume  0.98733E-03 ppm1      1.423 ppm2      2.713 CV     1
 OR { 3690}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB1 ))
 OR { 3690}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 3755}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.900     0.900 peak  3755 spectrum    1 weight  0.10000E+01 volume  0.44940E-02 ppm1      3.041 ppm2      4.554 CV     1
 OR { 3755}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 3768}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak  3768 spectrum    1 weight  0.10000E+01 volume  0.46315E-02 ppm1      3.044 ppm2      8.069 CV     1
 OR { 3768}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 3794}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      4.400     2.500     1.600 peak  3794 spectrum    1 weight  0.10000E+01 volume  0.63250E-03 ppm1      0.472 ppm2      8.066 CV     1
 OR { 3794}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 3797}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      3.600     1.600     1.600 peak  3797 spectrum    1 weight  0.10000E+01 volume  0.70299E-03 ppm1      3.319 ppm2      7.219 CV     1
 OR { 3797}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 3799}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      4.700     2.700     1.300 peak  3799 spectrum    1 weight  0.10000E+01 volume  0.31521E-03 ppm1      0.791 ppm2      7.216 CV     1
 OR { 3799}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 3802}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.100     1.200     1.200 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.21585E-02 ppm1      0.471 ppm2      7.224 CV     1
 OR { 3802}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 3811}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 7    and name HB  ))
      4.500     2.600     1.500 peak  3811 spectrum    1 weight  0.10000E+01 volume  0.55691E-03 ppm1      0.471 ppm2      4.320 CV     1
 OR { 3811}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 3812}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
      4.600     2.600     1.400 peak  3812 spectrum    1 weight  0.10000E+01 volume  0.75620E-03 ppm1      0.472 ppm2      4.239 CV     1
 OR { 3812}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 3830}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      3.500     1.500     1.500 peak  3830 spectrum    1 weight  0.10000E+01 volume  0.11283E-02 ppm1      0.471 ppm2      3.877 CV     1
 OR { 3830}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 3850}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      2.500     0.800     0.800 peak  3850 spectrum    1 weight  0.10000E+01 volume  0.34337E-02 ppm1      0.471 ppm2      1.632 CV     1
 OR { 3850}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 3852}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HB1 ))
      5.000     3.100     1.000 peak  3852 spectrum    1 weight  0.10000E+01 volume  0.57817E-03 ppm1      0.792 ppm2      1.873 CV     1
 OR { 3852}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 3853}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HB1 ))
      2.600     0.900     0.900 peak  3853 spectrum    1 weight  0.10000E+01 volume  0.49021E-02 ppm1      0.792 ppm2      1.636 CV     1
 OR { 3853}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 3854}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.600     0.800     0.800 peak  3854 spectrum    1 weight  0.10000E+01 volume  0.28542E-02 ppm1      1.215 ppm2      1.643 CV     1
 OR { 3854}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 3864}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
      3.200     3.200     2.800 peak  3864 spectrum    1 weight  0.10000E+01 volume  0.83883E-03 ppm1      1.055 ppm2      1.186 CV     1
 OR { 3864}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 3874}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.800     0.800 peak  3874 spectrum    1 weight  0.10000E+01 volume  0.39295E-02 ppm1      0.471 ppm2      1.048 CV     1
 OR { 3874}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 3881}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 75   and name HD2%)
      2.900     1.000     1.000 peak  3881 spectrum    1 weight  0.10000E+01 volume  0.39531E-02 ppm1      0.471 ppm2      0.893 CV     1
 OR { 3881}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 3934}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      4.000     2.000     2.000 peak  3934 spectrum    1 weight  0.10000E+01 volume  0.10158E-02 ppm1      4.315 ppm2      7.337 CV     1
 OR { 3934}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 3934}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 3952}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak  3952 spectrum    1 weight  0.10000E+01 volume  0.90577E-03 ppm1      0.807 ppm2      8.485 CV     1
 OR { 3952}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 3954}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      3.700     1.700     1.700 peak  3954 spectrum    1 weight  0.10000E+01 volume  0.13732E-02 ppm1      0.698 ppm2      8.483 CV     1
 OR { 3954}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 3957}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      4.300     2.300     1.700 peak  3957 spectrum    1 weight  0.10000E+01 volume  0.43506E-03 ppm1      0.700 ppm2      8.252 CV     1
 OR { 3957}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 3959}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      4.000     2.000     2.000 peak  3959 spectrum    1 weight  0.10000E+01 volume  0.70933E-03 ppm1      0.700 ppm2      7.217 CV     1
 OR { 3959}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 3962}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      4.600     2.600     1.400 peak  3962 spectrum    1 weight  0.10000E+01 volume  0.34094E-03 ppm1      0.806 ppm2      7.219 CV     1
 OR { 3962}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 3974}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      4.600     2.700     1.400 peak  3974 spectrum    1 weight  0.10000E+01 volume  0.51736E-03 ppm1      0.699 ppm2      4.745 CV     1
 OR { 3974}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 3980}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      3.700     1.700     1.700 peak  3980 spectrum    1 weight  0.10000E+01 volume  0.12047E-02 ppm1      0.805 ppm2      4.382 CV     1
 OR { 3980}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 3988}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.100     1.100 peak  3988 spectrum    1 weight  0.10000E+01 volume  0.97240E-02 ppm1      0.700 ppm2      4.376 CV     1
 OR { 3988}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 OR { 3988}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 4024}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB1 ))
      3.000     1.100     1.100 peak  4024 spectrum    1 weight  0.10000E+01 volume  0.29530E-02 ppm1      0.699 ppm2      1.445 CV     1
 OR { 4024}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 4060}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.800     1.800     1.800 peak  4060 spectrum    1 weight  0.10000E+01 volume  0.10024E-02 ppm1      1.264 ppm2      8.497 CV     1
 OR { 4060}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 4084}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HA  ))
      4.300     2.300     1.700 peak  4084 spectrum    1 weight  0.10000E+01 volume  0.53882E-03 ppm1      4.081 ppm2      4.732 CV     1
 OR { 4084}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR { 4084}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 25   and name HA  ))
 OR { 4084}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 4092}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB1 ))
      4.000     2.000     2.000 peak  4092 spectrum    1 weight  0.10000E+01 volume  0.51413E-03 ppm1      4.092 ppm2      2.850 CV     1
 OR { 4092}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB1 ))
 OR { 4092}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 4092}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 4092}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 4109}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.300     0.700     0.700 peak  4109 spectrum    1 weight  0.10000E+01 volume  0.11346E-01 ppm1      4.084 ppm2      8.498 CV     1
 OR { 4109}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 4109}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 20   and name HN  ))
 OR { 4109}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 4142}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      3.200     1.300     1.300 peak  4142 spectrum    1 weight  0.10000E+01 volume  0.31476E-02 ppm1      4.382 ppm2      8.495 CV     1
 OR { 4142}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 4158}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
      2.300     0.700     0.700 peak  4158 spectrum    1 weight  0.10000E+01 volume  0.11448E-01 ppm1      2.258 ppm2      2.413 CV     1
 OR { 4158}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR { 4158}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI { 4183}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.000     1.000 peak  4183 spectrum    1 weight  0.10000E+01 volume  0.30875E-02 ppm1      4.376 ppm2      7.837 CV     1
 OR { 4183}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 4184}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak  4184 spectrum    1 weight  0.10000E+01 volume  0.74294E-02 ppm1      1.547 ppm2      7.836 CV     1
 OR { 4184}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 4185}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
      4.100     2.100     1.900 peak  4185 spectrum    1 weight  0.10000E+01 volume  0.86594E-03 ppm1      1.550 ppm2      4.574 CV     1
 OR { 4185}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 4189}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA1 ))
      3.800     1.800     1.800 peak  4189 spectrum    1 weight  0.10000E+01 volume  0.14438E-02 ppm1      1.548 ppm2      4.080 CV     1
 OR { 4189}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA2 ))
 OR { 4189}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 4202}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak  4202 spectrum    1 weight  0.10000E+01 volume  0.52035E-02 ppm1      4.576 ppm2      7.828 CV     1
 OR { 4202}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 4203}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak  4203 spectrum    1 weight  0.10000E+01 volume  0.34789E-02 ppm1      4.146 ppm2      7.827 CV     1
 OR { 4203}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 4204}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.100     1.100 peak  4204 spectrum    1 weight  0.10000E+01 volume  0.29211E-02 ppm1      4.067 ppm2      7.825 CV     1
 OR { 4204}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 4232}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      4.200     2.200     1.800 peak  4232 spectrum    1 weight  0.10000E+01 volume  0.84817E-03 ppm1      4.148 ppm2      1.544 CV     1
 OR { 4232}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 4233}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
      3.500     1.500     1.500 peak  4233 spectrum    1 weight  0.10000E+01 volume  0.97390E-03 ppm1      4.067 ppm2      1.544 CV     1
 OR { 4233}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 4262}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.900     0.900 peak  4262 spectrum    1 weight  0.10000E+01 volume  0.48808E-02 ppm1      4.213 ppm2      8.244 CV     1
 OR { 4262}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 4276}
   (( segid "    " and resid 73   and name HG1 ))
   (  segid "    " and resid 74   and name HD2%)
      4.800     2.900     1.200 peak  4276 spectrum    1 weight  0.10000E+01 volume  0.53635E-03 ppm1      2.625 ppm2      1.056 CV     1
 OR { 4276}
   (( segid "    " and resid 16   and name HG1 ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 4276}
   (( segid "    " and resid 73   and name HG1 ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 4276}
   (( segid "    " and resid 73   and name HG1 ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 4283}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.400     1.400 peak  4283 spectrum    1 weight  0.10000E+01 volume  0.11323E-02 ppm1      3.951 ppm2      7.836 CV     1
 OR { 4283}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 4288}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      4.200     2.200     1.800 peak  4288 spectrum    1 weight  0.10000E+01 volume  0.10450E-02 ppm1      1.123 ppm2      4.378 CV     1
 OR { 4288}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
 OR { 4288}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 4299}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB1 ))
      3.500     1.500     1.500 peak  4299 spectrum    1 weight  0.10000E+01 volume  0.15484E-02 ppm1      1.127 ppm2      2.015 CV     1
 OR { 4299}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 4321}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.500     1.500 peak  4321 spectrum    1 weight  0.10000E+01 volume  0.71481E-03 ppm1      4.398 ppm2      7.824 CV     1
 OR { 4321}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 4336}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      2.900     1.000     1.000 peak  4336 spectrum    1 weight  0.10000E+01 volume  0.18779E-02 ppm1      1.999 ppm2      4.398 CV     1
 OR { 4336}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI { 4337}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.300     1.300 peak  4337 spectrum    1 weight  0.10000E+01 volume  0.14034E-02 ppm1      1.893 ppm2      4.221 CV     1
 OR { 4337}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 71   and name HA  ))
 OR { 4337}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 4338}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak  4338 spectrum    1 weight  0.10000E+01 volume  0.16275E-02 ppm1      0.905 ppm2      4.394 CV     1
 OR { 4338}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 4339}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      4.000     2.000     2.000 peak  4339 spectrum    1 weight  0.10000E+01 volume  0.89718E-03 ppm1      0.906 ppm2      4.231 CV     1
 OR { 4339}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 4340}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      2.100     0.600     0.600 peak  4340 spectrum    1 weight  0.10000E+01 volume  0.78256E-02 ppm1      0.764 ppm2      4.399 CV     1
 OR { 4340}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
 ASSI { 4345}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      4.100     2.100     1.900 peak  4345 spectrum    1 weight  0.10000E+01 volume  0.77435E-03 ppm1      0.763 ppm2      3.943 CV     1
 OR { 4345}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
 OR { 4345}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 4349}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      4.600     2.700     1.400 peak  4349 spectrum    1 weight  0.10000E+01 volume  0.38635E-03 ppm1      0.767 ppm2      3.552 CV     1
 OR { 4349}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 4367}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG  ))
      2.900     1.000     1.000 peak  4367 spectrum    1 weight  0.10000E+01 volume  0.18348E-02 ppm1      1.441 ppm2      1.890 CV     1
 OR { 4367}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 4370}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HG  ))
      2.100     0.600     0.600 peak  4370 spectrum    1 weight  0.10000E+01 volume  0.10220E-01 ppm1      0.906 ppm2      1.888 CV     1
 OR { 4370}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 4382}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
      4.300     2.300     1.700 peak  4382 spectrum    1 weight  0.10000E+01 volume  0.97299E-03 ppm1      0.764 ppm2      1.675 CV     1
 OR { 4382}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 4383}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 18   and name HB% )
      4.400     2.400     1.600 peak  4383 spectrum    1 weight  0.10000E+01 volume  0.10684E-02 ppm1      0.761 ppm2      1.560 CV     1
 OR { 4383}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 38   and name HG12))
 OR { 4383}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 44   and name HB% )
 OR { 4383}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 OR { 4383}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
 OR { 4383}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 4387}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.800     1.000     1.000 peak  4387 spectrum    1 weight  0.10000E+01 volume  0.25965E-02 ppm1      4.397 ppm2      1.133 CV     1
 OR { 4387}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 4388}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 15   and name HG2%)
      3.900     1.900     1.900 peak  4388 spectrum    1 weight  0.10000E+01 volume  0.10938E-02 ppm1      1.998 ppm2      1.132 CV     1
 OR { 4388}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 4397}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.800     1.800     1.800 peak  4397 spectrum    1 weight  0.10000E+01 volume  0.70090E-03 ppm1      4.406 ppm2      8.410 CV     1
 OR { 4397}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 4418}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HG  ))
      2.500     0.800     0.800 peak  4418 spectrum    1 weight  0.10000E+01 volume  0.39922E-02 ppm1      1.675 ppm2      2.041 CV     1
 OR { 4418}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 4420}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.800     1.800     1.800 peak  4420 spectrum    1 weight  0.10000E+01 volume  0.90073E-03 ppm1      4.403 ppm2      2.033 CV     1
 OR { 4420}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 OR { 4420}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 4423}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      4.700     2.800     1.300 peak  4423 spectrum    1 weight  0.10000E+01 volume  0.30956E-03 ppm1      4.407 ppm2      1.122 CV     1
 OR { 4423}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 4432}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG1 ))
      2.500     0.800     0.800 peak  4432 spectrum    1 weight  0.10000E+01 volume  0.58445E-02 ppm1      3.369 ppm2      1.935 CV     1
 OR { 4432}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI { 4444}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.300     1.300     1.300 peak  4444 spectrum    1 weight  0.10000E+01 volume  0.36352E-02 ppm1      4.042 ppm2      1.699 CV     1
 OR { 4444}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 4447}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HG2 ))
      1.600     0.300     0.600 peak  4447 spectrum    1 weight  0.10000E+01 volume  0.14933E-01 ppm1      1.929 ppm2      1.697 CV     1
 OR { 4447}
   (( segid "    " and resid 12   and name HG1 ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 4457}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB1 ))
      2.300     0.700     0.700 peak  4457 spectrum    1 weight  0.10000E+01 volume  0.85740E-02 ppm1      1.932 ppm2      2.033 CV     1
 OR { 4457}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 4457}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 4499}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.300     0.700     0.700 peak  4499 spectrum    1 weight  0.10000E+01 volume  0.59438E-02 ppm1      2.042 ppm2      7.998 CV     1
 OR { 4499}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
 OR { 4499}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
 OR { 4499}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 4502}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HE  ))
      3.200     1.300     1.300 peak  4502 spectrum    1 weight  0.10000E+01 volume  0.90771E-03 ppm1      1.416 ppm2      7.341 CV     1
 OR { 4502}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 30   and name HZ  ))
 OR { 4502}
   (( segid "    " and resid 11   and name HG1 ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 4504}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 30   and name HZ  ))
      3.700     1.700     1.700 peak  4504 spectrum    1 weight  0.10000E+01 volume  0.10506E-02 ppm1      1.187 ppm2      7.336 CV     1
 OR { 4504}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 4506}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
      2.700     0.900     0.900 peak  4506 spectrum    1 weight  0.10000E+01 volume  0.24824E-02 ppm1      2.064 ppm2      7.341 CV     1
 OR { 4506}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 4506}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 4506}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 4509}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.000     1.100     1.100 peak  4509 spectrum    1 weight  0.10000E+01 volume  0.10039E-02 ppm1      3.543 ppm2      7.340 CV     1
 OR { 4509}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 4510}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HE  ))
      2.700     0.900     0.900 peak  4510 spectrum    1 weight  0.10000E+01 volume  0.41621E-02 ppm1      3.236 ppm2      7.340 CV     1
 OR { 4510}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 4511}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HE  ))
      2.800     1.000     1.000 peak  4511 spectrum    1 weight  0.10000E+01 volume  0.31398E-02 ppm1      3.217 ppm2      7.340 CV     1
 OR { 4511}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 4511}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 30   and name HZ  ))
 OR { 4511}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 4563}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.300     1.300     1.300 peak  4563 spectrum    1 weight  0.10000E+01 volume  0.10810E-02 ppm1      3.542 ppm2      1.895 CV     1
 OR { 4563}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
 ASSI { 4564}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
      2.500     0.800     0.800 peak  4564 spectrum    1 weight  0.10000E+01 volume  0.33683E-02 ppm1      3.543 ppm2      1.422 CV     1
 OR { 4564}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 OR { 4564}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 4565}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.600     0.800     0.800 peak  4565 spectrum    1 weight  0.10000E+01 volume  0.32359E-02 ppm1      2.064 ppm2      1.410 CV     1
 OR { 4565}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 4565}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 4573}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.900     1.900     1.900 peak  4573 spectrum    1 weight  0.10000E+01 volume  0.11660E-02 ppm1      3.544 ppm2      0.802 CV     1
 OR { 4573}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 OR { 4573}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 4585}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      4.100     2.100     1.900 peak  4585 spectrum    1 weight  0.10000E+01 volume  0.12200E-02 ppm1      1.048 ppm2      8.073 CV     1
 OR { 4585}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 4588}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak  4588 spectrum    1 weight  0.10000E+01 volume  0.68914E-03 ppm1      1.136 ppm2      8.846 CV     1
 OR { 4588}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 4592}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.900     0.900 peak  4592 spectrum    1 weight  0.10000E+01 volume  0.23600E-02 ppm1      2.338 ppm2      8.846 CV     1
 OR { 4592}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 4603}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      4.400     2.400     1.600 peak  4603 spectrum    1 weight  0.10000E+01 volume  0.78385E-03 ppm1      1.051 ppm2      7.341 CV     1
 OR { 4603}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
 OR { 4603}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
 ASSI { 4608}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.400     1.400     1.400 peak  4608 spectrum    1 weight  0.10000E+01 volume  0.18233E-02 ppm1      1.135 ppm2      7.339 CV     1
 OR { 4608}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
 OR { 4608}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 79   and name HD21))
 ASSI { 4612}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
      4.500     2.500     1.500 peak  4612 spectrum    1 weight  0.10000E+01 volume  0.60539E-03 ppm1      1.136 ppm2      6.892 CV     1
 OR { 4612}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 72   and name HH22))
 OR { 4612}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 72   and name HH21))
 OR { 4612}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 72   and name HH11))
 ASSI { 4614}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 7    and name HB  ))
      5.100     3.200     0.900 peak  4614 spectrum    1 weight  0.10000E+01 volume  0.30542E-03 ppm1      1.135 ppm2      4.337 CV     1
 OR { 4614}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 4615}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
      3.600     1.600     1.600 peak  4615 spectrum    1 weight  0.10000E+01 volume  0.20177E-02 ppm1      1.137 ppm2      4.229 CV     1
 OR { 4615}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 4617}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak  4617 spectrum    1 weight  0.10000E+01 volume  0.20901E-02 ppm1      1.136 ppm2      3.890 CV     1
 OR { 4617}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 4619}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak  4619 spectrum    1 weight  0.10000E+01 volume  0.15620E-02 ppm1      2.339 ppm2      3.879 CV     1
 OR { 4619}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 4643}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      1.600     0.300     0.600 peak  4643 spectrum    1 weight  0.10000E+01 volume  0.12939E-01 ppm1      2.338 ppm2      1.576 CV     1
 OR { 4643}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 4644}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.100     0.500     0.500 peak  4644 spectrum    1 weight  0.10000E+01 volume  0.74611E-02 ppm1      1.135 ppm2      1.569 CV     1
 OR { 4644}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 4645}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
      3.600     1.600     1.600 peak  4645 spectrum    1 weight  0.10000E+01 volume  0.15104E-02 ppm1      1.137 ppm2      1.400 CV     1
 OR { 4645}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 OR { 4645}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 4646}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
      2.300     0.700     0.700 peak  4646 spectrum    1 weight  0.10000E+01 volume  0.68050E-02 ppm1      1.050 ppm2      1.569 CV     1
 OR { 4646}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 OR { 4646}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 4648}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD1%)
      2.400     0.700     0.700 peak  4648 spectrum    1 weight  0.10000E+01 volume  0.49658E-02 ppm1      1.896 ppm2      1.047 CV     1
 OR { 4648}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 4653}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 75   and name HD2%)
      2.800     1.000     1.000 peak  4653 spectrum    1 weight  0.10000E+01 volume  0.30235E-02 ppm1      1.136 ppm2      0.878 CV     1
 OR { 4653}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 4658}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
      2.100     0.500     0.500 peak  4658 spectrum    1 weight  0.10000E+01 volume  0.15879E-01 ppm1      1.044 ppm2      0.862 CV     1
 OR { 4658}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
 OR { 4658}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 75   and name HD2%)
 OR { 4658}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 4659}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
      2.700     0.900     0.900 peak  4659 spectrum    1 weight  0.10000E+01 volume  0.59519E-02 ppm1      1.045 ppm2      0.807 CV     1
 OR { 4659}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 78   and name HD1%)
 OR { 4659}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 4661}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
      2.500     0.800     0.800 peak  4661 spectrum    1 weight  0.10000E+01 volume  0.64050E-02 ppm1      1.043 ppm2      0.632 CV     1
 OR { 4661}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD2%)
 OR { 4661}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 4664}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      3.800     1.800     1.800 peak  4664 spectrum    1 weight  0.10000E+01 volume  0.11233E-02 ppm1      1.582 ppm2      0.617 CV     1
 OR { 4664}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
 OR { 4664}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 4665}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
      3.700     1.700     1.700 peak  4665 spectrum    1 weight  0.10000E+01 volume  0.95774E-03 ppm1      2.338 ppm2      0.890 CV     1
 OR { 4665}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
 OR { 4665}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 4668}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.000     1.200     1.200 peak  4668 spectrum    1 weight  0.10000E+01 volume  0.14448E-02 ppm1      4.220 ppm2      0.859 CV     1
 OR { 4668}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 4681}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      3.100     1.200     1.200 peak  4681 spectrum    1 weight  0.10000E+01 volume  0.18703E-02 ppm1      2.700 ppm2      1.581 CV     1
 OR { 4681}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 4681}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 4682}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HB1 ))
      3.200     1.300     1.300 peak  4682 spectrum    1 weight  0.10000E+01 volume  0.23992E-02 ppm1      3.041 ppm2      1.580 CV     1
 OR { 4682}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 4682}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 4697}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  4697 spectrum    1 weight  0.10000E+01 volume  0.53060E-02 ppm1      2.700 ppm2      4.560 CV     1
 OR { 4697}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
 OR { 4697}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 4702}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.100     1.100 peak  4702 spectrum    1 weight  0.10000E+01 volume  0.20471E-02 ppm1      2.703 ppm2      8.070 CV     1
 OR { 4702}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
 OR { 4702}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 4703}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak  4703 spectrum    1 weight  0.10000E+01 volume  0.46989E-02 ppm1      2.711 ppm2      7.900 CV     1
 OR { 4703}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
 OR { 4703}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 4709}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      4.400     2.500     1.600 peak  4709 spectrum    1 weight  0.10000E+01 volume  0.68651E-03 ppm1      2.713 ppm2      8.849 CV     1
 OR { 4709}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 4709}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 4709}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
 OR { 4709}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 4718}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak  4718 spectrum    1 weight  0.10000E+01 volume  0.28911E-02 ppm1      3.876 ppm2      8.846 CV     1
 OR { 4718}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 4720}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      3.500     1.500     1.500 peak  4720 spectrum    1 weight  0.10000E+01 volume  0.20878E-02 ppm1      1.392 ppm2      8.847 CV     1
 OR { 4720}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 4729}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
      5.000     3.200     1.000 peak  4729 spectrum    1 weight  0.10000E+01 volume  0.27927E-03 ppm1      1.391 ppm2      8.079 CV     1
 OR { 4729}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 4737}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 30   and name HZ  ))
      2.600     0.900     0.900 peak  4737 spectrum    1 weight  0.10000E+01 volume  0.40845E-02 ppm1      1.392 ppm2      7.340 CV     1
 OR { 4737}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HE  ))
 OR { 4737}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI { 4738}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.800     1.800     1.800 peak  4738 spectrum    1 weight  0.10000E+01 volume  0.77392E-03 ppm1      3.875 ppm2      7.347 CV     1
 OR { 4738}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 4738}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 4771}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      3.300     1.400     1.400 peak  4771 spectrum    1 weight  0.10000E+01 volume  0.13708E-02 ppm1      3.878 ppm2      0.888 CV     1
 OR { 4771}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 4772}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.100     1.200     1.200 peak  4772 spectrum    1 weight  0.10000E+01 volume  0.27226E-02 ppm1      3.874 ppm2      0.802 CV     1
 OR { 4772}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 4775}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 75   and name HD2%)
      3.200     1.300     1.300 peak  4775 spectrum    1 weight  0.10000E+01 volume  0.41025E-02 ppm1      1.392 ppm2      0.883 CV     1
 OR { 4775}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 4780}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 75   and name HG  ))
      5.200     3.400     0.800 peak  4780 spectrum    1 weight  0.10000E+01 volume  0.34015E-03 ppm1      3.875 ppm2      1.678 CV     1
 OR { 4780}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 4781}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.600     1.700     1.700 peak  4781 spectrum    1 weight  0.10000E+01 volume  0.20336E-02 ppm1      3.876 ppm2      1.573 CV     1
 OR { 4781}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 4834}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 79   and name HD21))
      3.400     1.400     1.400 peak  4834 spectrum    1 weight  0.10000E+01 volume  0.11454E-02 ppm1      1.607 ppm2      7.367 CV     1
 OR { 4834}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 79   and name HD21))
 ASSI { 4853}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.600     1.600     1.600 peak  4853 spectrum    1 weight  0.10000E+01 volume  0.12129E-02 ppm1      0.648 ppm2      4.219 CV     1
 OR { 4853}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 3    and name HB  ))
 OR { 4853}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 4854}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.800     1.800     1.800 peak  4854 spectrum    1 weight  0.10000E+01 volume  0.11778E-02 ppm1      0.612 ppm2      4.218 CV     1
 OR { 4854}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 4862}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 56   and name HB2 ))
      4.600     2.700     1.400 peak  4862 spectrum    1 weight  0.10000E+01 volume  0.39779E-03 ppm1      0.643 ppm2      2.806 CV     1
 OR { 4862}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 4863}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
      4.500     2.500     1.500 peak  4863 spectrum    1 weight  0.10000E+01 volume  0.34162E-03 ppm1      0.624 ppm2      2.810 CV     1
 OR { 4863}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 4871}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      5.100     3.200     0.900 peak  4871 spectrum    1 weight  0.10000E+01 volume  0.42126E-03 ppm1      0.609 ppm2      2.330 CV     1
 OR { 4871}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 4873}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
      5.100     3.300     0.900 peak  4873 spectrum    1 weight  0.10000E+01 volume  0.35274E-03 ppm1      0.613 ppm2      2.042 CV     1
 OR { 4873}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
 OR { 4873}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 4892}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 10   and name HD2%)
      4.400     2.400     1.600 peak  4892 spectrum    1 weight  0.10000E+01 volume  0.88280E-03 ppm1      0.639 ppm2      1.149 CV     1
 OR { 4892}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 4893}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
      2.400     0.700     0.700 peak  4893 spectrum    1 weight  0.10000E+01 volume  0.62719E-02 ppm1      0.612 ppm2      1.038 CV     1
 OR { 4893}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 4894}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 52   and name HD2%)
      2.800     1.000     1.000 peak  4894 spectrum    1 weight  0.10000E+01 volume  0.57903E-02 ppm1      0.648 ppm2      1.016 CV     1
 OR { 4894}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 82   and name HD1%)
 OR { 4894}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 4896}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
      2.200     0.600     0.600 peak  4896 spectrum    1 weight  0.10000E+01 volume  0.69499E-02 ppm1      0.611 ppm2      0.878 CV     1
 OR { 4896}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 4901}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
      4.000     2.000     2.000 peak  4901 spectrum    1 weight  0.10000E+01 volume  0.86771E-03 ppm1      1.394 ppm2      0.876 CV     1
 OR { 4901}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 4901}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 4907}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      4.500     2.600     1.500 peak  4907 spectrum    1 weight  0.10000E+01 volume  0.59304E-03 ppm1      0.893 ppm2      8.281 CV     1
 OR { 4907}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 5062}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 10   and name HD2%)
      3.900     1.900     1.900 peak  5062 spectrum    1 weight  0.10000E+01 volume  0.52791E-03 ppm1      7.351 ppm2      1.133 CV     1
 OR { 5062}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 5063}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
      4.700     2.800     1.300 peak  5063 spectrum    1 weight  0.10000E+01 volume  0.25044E-03 ppm1      7.360 ppm2      0.892 CV     1
 OR { 5063}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 5078}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 58   and name HG2%)
      2.500     0.800     0.800 peak  5078 spectrum    1 weight  0.10000E+01 volume  0.71760E-02 ppm1      1.640 ppm2      0.975 CV     1
 OR { 5078}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 82   and name HD2%)
 OR { 5078}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 77   and name HD1%)
 OR { 5078}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 5082}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HG  ))
      2.800     1.000     1.000 peak  5082 spectrum    1 weight  0.10000E+01 volume  0.47825E-02 ppm1      1.184 ppm2      0.983 CV     1
 OR { 5082}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 5088}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 30   and name HB2 ))
      3.200     1.200     1.200 peak  5088 spectrum    1 weight  0.10000E+01 volume  0.12282E-02 ppm1      1.065 ppm2      3.010 CV     1
 OR { 5088}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 5090}
   (  segid "    " and resid 83   and name HB% )
   (  segid "    " and resid 4    and name HD1%)
      2.300     2.300     3.700 peak  5090 spectrum    1 weight  0.10000E+01 volume  0.31888E-02 ppm1      1.616 ppm2      0.891 CV     1
 OR { 5090}
   (  segid "    " and resid 83   and name HB% )
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 5095}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 77   and name HB2 ))
      3.500     1.600     1.600 peak  5095 spectrum    1 weight  0.10000E+01 volume  0.11700E-02 ppm1      1.071 ppm2      1.923 CV     1
 OR { 5095}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
 OR { 5095}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
 OR { 5095}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 5100}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.800     1.000     1.000 peak  5100 spectrum    1 weight  0.10000E+01 volume  0.47041E-02 ppm1      0.699 ppm2      1.059 CV     1
 OR { 5100}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 15   and name HG1%)
 OR { 5100}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 5102}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 38   and name HD1%)
      2.400     0.700     0.700 peak  5102 spectrum    1 weight  0.10000E+01 volume  0.62998E-02 ppm1      0.700 ppm2      0.893 CV     1
 OR { 5102}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 5104}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      2.100     0.600     0.600 peak  5104 spectrum    1 weight  0.10000E+01 volume  0.11070E-01 ppm1      1.053 ppm2      1.895 CV     1
 OR { 5104}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HB1 ))
 ASSI { 5105}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
      3.100     1.200     1.200 peak  5105 spectrum    1 weight  0.10000E+01 volume  0.32947E-02 ppm1      0.762 ppm2      1.028 CV     1
 OR { 5105}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 15   and name HG1%)
 OR { 5105}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 5106}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
      2.300     0.700     0.700 peak  5106 spectrum    1 weight  0.10000E+01 volume  0.71169E-02 ppm1      0.764 ppm2      0.887 CV     1
 OR { 5106}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 5142}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.600     1.600     1.600 peak  5142 spectrum    1 weight  0.10000E+01 volume  0.19263E-02 ppm1      1.053 ppm2      1.875 CV     1
 OR { 5142}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 10   and name HG  ))
 OR { 5142}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 14   and name HG  ))
 ASSI { 5155}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.400     1.400     1.400 peak  5155 spectrum    1 weight  0.10000E+01 volume  0.34857E-02 ppm1      4.557 ppm2      2.037 CV     1
 OR { 5155}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 5155}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 5155}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 5158}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.500     0.800     0.800 peak  5158 spectrum    1 weight  0.10000E+01 volume  0.68995E-02 ppm1      4.632 ppm2      2.065 CV     1
 OR { 5158}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 5158}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 5160}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      2.700     0.900     0.900 peak  5160 spectrum    1 weight  0.10000E+01 volume  0.31933E-02 ppm1      4.631 ppm2      1.015 CV     1
 OR { 5160}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 5161}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.600     1.600     1.600 peak  5161 spectrum    1 weight  0.10000E+01 volume  0.22923E-02 ppm1      3.911 ppm2      1.127 CV     1
 OR { 5161}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 5162}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.300     1.400     1.400 peak  5162 spectrum    1 weight  0.10000E+01 volume  0.15095E-02 ppm1      4.321 ppm2      8.131 CV     1
 OR { 5162}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 5171}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.900     0.900 peak  5171 spectrum    1 weight  0.10000E+01 volume  0.48150E-02 ppm1      4.248 ppm2      8.156 CV     1
 OR { 5171}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 5177}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 50   and name HB% )
      4.300     2.300     1.700 peak  5177 spectrum    1 weight  0.10000E+01 volume  0.62558E-03 ppm1      2.457 ppm2      1.644 CV     1
 OR { 5177}
   (( segid "    " and resid 84   and name HG2 ))
   (  segid "    " and resid 81   and name HB% )
 ASSI { 5178}
   (( segid "    " and resid 84   and name HG1 ))
   (  segid "    " and resid 83   and name HB% )
      3.500     1.600     1.600 peak  5178 spectrum    1 weight  0.10000E+01 volume  0.52548E-03 ppm1      2.529 ppm2      1.616 CV     1
 OR { 5178}
   (( segid "    " and resid 84   and name HG1 ))
   (  segid "    " and resid 81   and name HB% )
 ASSI { 5192}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 38   and name HD1%)
      3.900     1.900     1.900 peak  5192 spectrum    1 weight  0.10000E+01 volume  0.42573E-03 ppm1      0.238 ppm2      0.903 CV     1
 OR { 5192}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
 OR { 5192}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 5193}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 38   and name HD1%)
      4.300     2.300     1.700 peak  5193 spectrum    1 weight  0.10000E+01 volume  0.48998E-03 ppm1      0.372 ppm2      0.881 CV     1
 OR { 5193}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 5198}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      3.600     1.700     1.700 peak  5198 spectrum    1 weight  0.10000E+01 volume  0.78079E-03 ppm1      4.476 ppm2      1.048 CV     1
 OR { 5198}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 5198}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 5198}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 5200}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HB1 ))
      3.300     1.300     1.300 peak  5200 spectrum    1 weight  0.10000E+01 volume  0.46835E-03 ppm1      1.416 ppm2      2.834 CV     1
 OR { 5200}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HG1 ))
 OR { 5200}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 5201}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HB2 ))
      3.300     3.300     2.700 peak  5201 spectrum    1 weight  0.10000E+01 volume  0.66659E-03 ppm1      1.420 ppm2      2.756 CV     1
 OR { 5201}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HG2 ))
 OR { 5201}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
 OR { 5201}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 5204}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HB2 ))
      3.500     1.500     1.500 peak  5204 spectrum    1 weight  0.10000E+01 volume  0.33877E-03 ppm1      1.418 ppm2      2.343 CV     1
 OR { 5204}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HB1 ))
 OR { 5204}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 5206}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 62   and name HN  ))
      4.000     2.000     2.000 peak  5206 spectrum    1 weight  0.10000E+01 volume  0.23396E-03 ppm1      1.420 ppm2      8.752 CV     1
 OR { 5206}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 75   and name HN  ))
 ASSI {   15}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak    15 spectrum    1 weight  0.10000E+01 volume  0.30987E-02 ppm1      8.241 ppm2      7.825 CV     1
 OR {   15}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {   17}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      5.600     3.900     0.400 peak    17 spectrum    1 weight  0.10000E+01 volume  0.14135E-03 ppm1      8.245 ppm2      1.127 CV     1
 OR {   17}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {   44}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 75   and name HD2%)
      3.800     1.800     1.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.98937E-03 ppm1      7.358 ppm2      0.877 CV     1
 OR {   44}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {   73}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.500     1.600     1.600 peak    73 spectrum    1 weight  0.10000E+01 volume  0.69585E-03 ppm1      7.329 ppm2      1.402 CV     1
 OR {   73}
   (( segid "    " and resid 11   and name HE  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   77}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 7    and name HB  ))
      4.000     2.000     2.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.70922E-03 ppm1      7.329 ppm2      4.304 CV     1
 OR {   77}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  118}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.700     1.700     1.700 peak   118 spectrum    1 weight  0.10000E+01 volume  0.11053E-02 ppm1      8.405 ppm2      4.481 CV     1
 OR {  118}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  123}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      4.300     2.300     1.700 peak   123 spectrum    1 weight  0.10000E+01 volume  0.10798E-02 ppm1      8.405 ppm2      1.619 CV     1
 OR {  123}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  124}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      4.200     2.200     1.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.36562E-03 ppm1      8.407 ppm2      0.972 CV     1
 OR {  124}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 OR {  124}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  132}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.400     1.500     1.500 peak   132 spectrum    1 weight  0.10000E+01 volume  0.11202E-02 ppm1      7.967 ppm2      4.688 CV     1
 OR {  132}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  146}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.600     1.600     1.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.68318E-03 ppm1      8.057 ppm2      3.310 CV     1
 OR {  146}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  152}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.100     2.100     1.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.10930E-02 ppm1      8.057 ppm2      1.046 CV     1
 OR {  152}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 OR {  152}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  158}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      3.300     1.300     1.300 peak   158 spectrum    1 weight  0.10000E+01 volume  0.50567E-03 ppm1      8.047 ppm2      1.647 CV     1
 OR {  158}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
 ASSI {  162}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.300     2.300     1.700 peak   162 spectrum    1 weight  0.10000E+01 volume  0.40987E-03 ppm1      8.048 ppm2      2.213 CV     1
 OR {  162}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  164}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.200     1.300     1.300 peak   164 spectrum    1 weight  0.10000E+01 volume  0.18648E-02 ppm1      8.047 ppm2      4.265 CV     1
 OR {  164}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  165}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.300     0.700     0.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.86717E-02 ppm1      8.048 ppm2      4.106 CV     1
 OR {  165}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  165}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  173}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.500     0.800     0.800 peak   173 spectrum    1 weight  0.10000E+01 volume  0.57157E-02 ppm1      7.489 ppm2      4.099 CV     1
 OR {  173}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 OR {  173}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  178}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name H31%)
      5.800     4.200     0.200 peak   178 spectrum    1 weight  0.10000E+01 volume  0.25047E-03 ppm1      8.929 ppm2      1.065 CV     1
 OR {  178}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI {  188}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     0.900     0.900 peak   188 spectrum    1 weight  0.10000E+01 volume  0.47843E-02 ppm1      8.244 ppm2      8.492 CV     1
 OR {  188}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  206}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.000     2.000     2.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.72624E-03 ppm1      8.111 ppm2      0.980 CV     1
 OR {  206}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
 OR {  206}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  209}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.400     1.500     1.500 peak   209 spectrum    1 weight  0.10000E+01 volume  0.23840E-02 ppm1      8.104 ppm2      4.093 CV     1
 OR {  209}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 OR {  209}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  210}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   210 spectrum    1 weight  0.10000E+01 volume  0.32195E-02 ppm1      7.808 ppm2      8.230 CV     1
 OR {  210}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  212}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.300     1.300 peak   212 spectrum    1 weight  0.10000E+01 volume  0.13032E-02 ppm1      7.809 ppm2      4.384 CV     1
 OR {  212}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  212}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  219}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.400     2.400     1.600 peak   219 spectrum    1 weight  0.10000E+01 volume  0.86100E-03 ppm1      7.811 ppm2      1.533 CV     1
 OR {  219}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  220}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.800     2.900     1.200 peak   220 spectrum    1 weight  0.10000E+01 volume  0.29968E-03 ppm1      7.808 ppm2      1.115 CV     1
 OR {  220}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  221}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      5.000     3.100     1.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.27213E-03 ppm1      7.809 ppm2      1.033 CV     1
 OR {  221}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  221}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  222}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      4.600     2.700     1.400 peak   222 spectrum    1 weight  0.10000E+01 volume  0.34652E-03 ppm1      7.809 ppm2      2.611 CV     1
 OR {  222}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
 ASSI {  223}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      4.800     2.800     1.200 peak   223 spectrum    1 weight  0.10000E+01 volume  0.42469E-03 ppm1      7.807 ppm2      2.375 CV     1
 OR {  223}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI {  232}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.600     1.600     1.600 peak   232 spectrum    1 weight  0.10000E+01 volume  0.15267E-02 ppm1      7.718 ppm2      4.368 CV     1
 OR {  232}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  236}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.000     2.000     2.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.10212E-02 ppm1      7.721 ppm2      2.993 CV     1
 OR {  236}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  244}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      2.900     1.000     1.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.39513E-02 ppm1      9.053 ppm2      1.409 CV     1
 OR {  244}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  256}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.800     2.900     1.200 peak   256 spectrum    1 weight  0.10000E+01 volume  0.52152E-03 ppm1      8.834 ppm2      2.704 CV     1
 OR {  256}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  256}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  259}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.000     2.000     2.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.81520E-03 ppm1      8.836 ppm2      0.791 CV     1
 OR {  259}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  284}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      4.400     2.400     1.600 peak   284 spectrum    1 weight  0.10000E+01 volume  0.45886E-03 ppm1      8.131 ppm2      4.720 CV     1
 OR {  284}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  288}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      4.400     2.400     1.600 peak   288 spectrum    1 weight  0.10000E+01 volume  0.77150E-03 ppm1      7.988 ppm2      1.397 CV     1
 OR {  288}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  290}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.400     3.400     2.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.37334E-03 ppm1      7.988 ppm2      2.698 CV     1
 OR {  290}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  290}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  303}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      5.300     3.500     0.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.23004E-03 ppm1      7.458 ppm2      1.020 CV     1
 OR {  303}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  315}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.200     2.200     1.800 peak   315 spectrum    1 weight  0.10000E+01 volume  0.90121E-03 ppm1      9.569 ppm2      1.847 CV     1
 OR {  315}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  322}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.700     2.700     1.300 peak   322 spectrum    1 weight  0.10000E+01 volume  0.49455E-03 ppm1      9.568 ppm2      2.996 CV     1
 OR {  322}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  323}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      5.100     3.300     0.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.29751E-03 ppm1      9.570 ppm2      1.063 CV     1
 OR {  323}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI {  326}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.100     2.100     1.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.59395E-03 ppm1      9.568 ppm2      7.722 CV     1
 OR {  326}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  330}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak   330 spectrum    1 weight  0.10000E+01 volume  0.50059E-02 ppm1      8.576 ppm2      4.537 CV     1
 OR {  330}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  333}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.900     1.100     1.100 peak   333 spectrum    1 weight  0.10000E+01 volume  0.35983E-02 ppm1      8.577 ppm2      2.822 CV     1
 OR {  333}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  334}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.600     0.900     0.900 peak   334 spectrum    1 weight  0.10000E+01 volume  0.47895E-02 ppm1      8.577 ppm2      2.740 CV     1
 OR {  334}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  348}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.300     2.300     1.700 peak   348 spectrum    1 weight  0.10000E+01 volume  0.50680E-03 ppm1      8.461 ppm2      7.729 CV     1
 OR {  348}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  359}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.500     1.500     1.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.17975E-02 ppm1      8.464 ppm2      1.057 CV     1
 OR {  359}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  359}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  367}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.600     2.600     1.400 peak   367 spectrum    1 weight  0.10000E+01 volume  0.61441E-03 ppm1      7.825 ppm2      1.122 CV     1
 OR {  367}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  368}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.100     2.200     1.900 peak   368 spectrum    1 weight  0.10000E+01 volume  0.57017E-03 ppm1      7.829 ppm2      1.066 CV     1
 OR {  368}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 OR {  368}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  380}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.800     1.800     1.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.78589E-03 ppm1      7.769 ppm2      4.469 CV     1
 OR {  380}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  391}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.500     2.500     1.500 peak   391 spectrum    1 weight  0.10000E+01 volume  0.38103E-03 ppm1      7.612 ppm2      0.972 CV     1
 OR {  391}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI {  410}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.600     1.600     1.600 peak   410 spectrum    1 weight  0.10000E+01 volume  0.85096E-03 ppm1      8.996 ppm2      4.229 CV     1
 OR {  410}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  417}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.200     3.200     2.800 peak   417 spectrum    1 weight  0.10000E+01 volume  0.15972E-02 ppm1      8.998 ppm2      1.042 CV     1
 OR {  417}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  420}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      4.000     2.000     2.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.85413E-03 ppm1      8.875 ppm2      0.973 CV     1
 OR {  420}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  420}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  421}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.200     1.300     1.300 peak   421 spectrum    1 weight  0.10000E+01 volume  0.22287E-02 ppm1      8.875 ppm2      0.877 CV     1
 OR {  421}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  426}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      4.700     2.700     1.300 peak   426 spectrum    1 weight  0.10000E+01 volume  0.49503E-03 ppm1      8.877 ppm2      1.609 CV     1
 OR {  426}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  442}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.300     2.300     1.700 peak   442 spectrum    1 weight  0.10000E+01 volume  0.94218E-03 ppm1      8.676 ppm2      0.874 CV     1
 OR {  442}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 OR {  442}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  443}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.400     2.400     1.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.63470E-03 ppm1      8.675 ppm2      0.791 CV     1
 OR {  443}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  447}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.500     3.500     2.500 peak   447 spectrum    1 weight  0.10000E+01 volume  0.31353E-03 ppm1      8.676 ppm2      2.278 CV     1
 OR {  447}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  472}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.200     0.600     0.600 peak   472 spectrum    1 weight  0.10000E+01 volume  0.66080E-02 ppm1      7.553 ppm2      7.721 CV     1
 OR {  472}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  475}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      5.100     3.300     0.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.32277E-03 ppm1      7.553 ppm2      4.623 CV     1
 OR {  475}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  481}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.800     1.800     1.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.18674E-02 ppm1      7.554 ppm2      1.846 CV     1
 OR {  481}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  484}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      4.000     2.000     2.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.94813E-03 ppm1      7.553 ppm2      1.049 CV     1
 OR {  484}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  490}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak   490 spectrum    1 weight  0.10000E+01 volume  0.25688E-02 ppm1      7.519 ppm2      3.305 CV     1
 OR {  490}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  495}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
      3.600     1.600     1.600 peak   495 spectrum    1 weight  0.10000E+01 volume  0.92360E-03 ppm1      7.516 ppm2      7.214 CV     1
 OR {  495}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  496}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.200     0.600     0.600 peak   496 spectrum    1 weight  0.10000E+01 volume  0.57114E-02 ppm1      7.519 ppm2      8.043 CV     1
 OR {  496}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  500}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.100     1.200     1.200 peak   500 spectrum    1 weight  0.10000E+01 volume  0.28366E-02 ppm1      7.440 ppm2      4.539 CV     1
 OR {  500}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  503}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      5.000     3.200     1.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.47889E-03 ppm1      7.439 ppm2      4.032 CV     1
 OR {  503}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HD1 ))
 ASSI {  517}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.900     0.900 peak   517 spectrum    1 weight  0.10000E+01 volume  0.33922E-02 ppm1      8.903 ppm2      4.108 CV     1
 OR {  517}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  517}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  521}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.200     1.300     1.300 peak   521 spectrum    1 weight  0.10000E+01 volume  0.25282E-02 ppm1      8.903 ppm2      2.214 CV     1
 OR {  521}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  525}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      5.000     3.100     1.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.37773E-03 ppm1      8.905 ppm2      1.534 CV     1
 OR {  525}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 60   and name HG11))
 ASSI {  527}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      4.900     3.000     1.100 peak   527 spectrum    1 weight  0.10000E+01 volume  0.60066E-03 ppm1      8.903 ppm2      1.023 CV     1
 OR {  527}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  529}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.200     2.200     1.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.98260E-03 ppm1      8.903 ppm2      0.850 CV     1
 OR {  529}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  532}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   532 spectrum    1 weight  0.10000E+01 volume  0.31838E-02 ppm1      8.393 ppm2      4.390 CV     1
 OR {  532}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  533}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.000     2.000     2.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.54145E-03 ppm1      8.397 ppm2      4.212 CV     1
 OR {  533}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  536}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.400     1.400     1.400 peak   536 spectrum    1 weight  0.10000E+01 volume  0.16820E-02 ppm1      8.394 ppm2      1.121 CV     1
 OR {  536}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  537}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.700     1.700     1.700 peak   537 spectrum    1 weight  0.10000E+01 volume  0.11348E-02 ppm1      8.393 ppm2      1.033 CV     1
 OR {  537}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  537}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  543}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.000     1.100     1.100 peak   543 spectrum    1 weight  0.10000E+01 volume  0.41405E-02 ppm1      8.395 ppm2      1.878 CV     1
 OR {  543}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
 ASSI {  544}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      4.300     2.300     1.700 peak   544 spectrum    1 weight  0.10000E+01 volume  0.61967E-03 ppm1      8.393 ppm2      2.270 CV     1
 OR {  544}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 OR {  544}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  545}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      5.100     3.200     0.900 peak   545 spectrum    1 weight  0.10000E+01 volume  0.32683E-03 ppm1      8.389 ppm2      3.940 CV     1
 OR {  545}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  548}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.900     1.900     1.900 peak   548 spectrum    1 weight  0.10000E+01 volume  0.14195E-02 ppm1      8.836 ppm2      1.135 CV     1
 OR {  548}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  549}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.300     2.300     1.700 peak   549 spectrum    1 weight  0.10000E+01 volume  0.77069E-03 ppm1      8.836 ppm2      1.041 CV     1
 OR {  549}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  549}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  550}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      4.400     2.400     1.600 peak   550 spectrum    1 weight  0.10000E+01 volume  0.61908E-03 ppm1      8.835 ppm2      0.886 CV     1
 OR {  550}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 OR {  550}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  551}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.900     3.000     1.100 peak   551 spectrum    1 weight  0.10000E+01 volume  0.55868E-03 ppm1      8.836 ppm2      0.792 CV     1
 OR {  551}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  554}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.200     1.300     1.300 peak   554 spectrum    1 weight  0.10000E+01 volume  0.51444E-03 ppm1      8.839 ppm2      2.710 CV     1
 OR {  554}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  554}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  561}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.300     1.300     1.300 peak   561 spectrum    1 weight  0.10000E+01 volume  0.21253E-02 ppm1      8.836 ppm2      7.332 CV     1
 OR {  561}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI {  565}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.600     2.600     1.400 peak   565 spectrum    1 weight  0.10000E+01 volume  0.55863E-03 ppm1      7.708 ppm2      1.120 CV     1
 OR {  565}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 OR {  565}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  577}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      3.100     1.200     1.200 peak   577 spectrum    1 weight  0.10000E+01 volume  0.41569E-02 ppm1      8.268 ppm2      0.978 CV     1
 OR {  577}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  577}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  578}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.500     1.600     1.600 peak   578 spectrum    1 weight  0.10000E+01 volume  0.27889E-02 ppm1      8.283 ppm2      0.875 CV     1
 OR {  578}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 OR {  578}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  578}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  579}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.600     1.600     1.600 peak   579 spectrum    1 weight  0.10000E+01 volume  0.19905E-02 ppm1      8.286 ppm2      0.794 CV     1
 OR {  579}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  580}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.800     1.800     1.800 peak   580 spectrum    1 weight  0.10000E+01 volume  0.18140E-02 ppm1      8.229 ppm2      1.119 CV     1
 OR {  580}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 OR {  580}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 OR {  580}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  581}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.700     1.700     1.700 peak   581 spectrum    1 weight  0.10000E+01 volume  0.14898E-02 ppm1      8.229 ppm2      1.035 CV     1
 OR {  581}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 OR {  581}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 OR {  581}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  581}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  582}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.500     1.500     1.500 peak   582 spectrum    1 weight  0.10000E+01 volume  0.25396E-02 ppm1      8.238 ppm2      1.389 CV     1
 OR {  582}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI {  585}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      2.700     0.900     0.900 peak   585 spectrum    1 weight  0.10000E+01 volume  0.52852E-02 ppm1      8.261 ppm2      1.622 CV     1
 OR {  585}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  586}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      2.500     0.800     0.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.50691E-02 ppm1      8.221 ppm2      1.543 CV     1
 OR {  586}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  591}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.400     0.700     0.700 peak   591 spectrum    1 weight  0.10000E+01 volume  0.68979E-02 ppm1      8.230 ppm2      2.264 CV     1
 OR {  591}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  594}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.200     0.600     0.600 peak   594 spectrum    1 weight  0.10000E+01 volume  0.10192E-01 ppm1      8.286 ppm2      1.928 CV     1
 OR {  594}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  595}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
      2.300     0.700     0.700 peak   595 spectrum    1 weight  0.10000E+01 volume  0.49430E-02 ppm1      8.266 ppm2      1.843 CV     1
 OR {  595}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI {  597}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.000     3.000     3.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.13725E-02 ppm1      8.231 ppm2      2.819 CV     1
 OR {  597}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 OR {  597}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
 OR {  597}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 OR {  597}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  597}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  599}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.400     1.400     1.400 peak   599 spectrum    1 weight  0.10000E+01 volume  0.28853E-02 ppm1      8.230 ppm2      2.614 CV     1
 OR {  599}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name H2A ))
 OR {  599}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name H2B ))
 OR {  599}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
 ASSI {  600}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.500     1.500     1.500 peak   600 spectrum    1 weight  0.10000E+01 volume  0.96263E-03 ppm1      8.230 ppm2      4.035 CV     1
 OR {  600}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  601}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.34788E-02 ppm1      8.225 ppm2      3.938 CV     1
 OR {  601}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 OR {  601}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  603}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.600     0.900     0.900 peak   603 spectrum    1 weight  0.10000E+01 volume  0.36856E-02 ppm1      8.286 ppm2      3.741 CV     1
 OR {  603}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  604}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.300     1.300     1.300 peak   604 spectrum    1 weight  0.10000E+01 volume  0.13107E-02 ppm1      8.143 ppm2      3.953 CV     1
 OR {  604}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  606}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak   606 spectrum    1 weight  0.10000E+01 volume  0.17419E-02 ppm1      8.229 ppm2      4.388 CV     1
 OR {  606}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  606}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  608}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     0.800     0.800 peak   608 spectrum    1 weight  0.10000E+01 volume  0.59605E-02 ppm1      8.230 ppm2      4.233 CV     1
 OR {  608}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  608}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 OR {  608}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  613}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.100     1.100 peak   613 spectrum    1 weight  0.10000E+01 volume  0.19947E-02 ppm1      8.230 ppm2      7.809 CV     1
 OR {  613}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  615}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.100     0.600     0.600 peak   615 spectrum    1 weight  0.10000E+01 volume  0.10110E-01 ppm1      8.228 ppm2      8.468 CV     1
 OR {  615}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
 OR {  615}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  619}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      4.800     2.900     1.200 peak   619 spectrum    1 weight  0.10000E+01 volume  0.51093E-03 ppm1      8.283 ppm2      0.615 CV     1
 OR {  619}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  625}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak   625 spectrum    1 weight  0.10000E+01 volume  0.71051E-02 ppm1      8.493 ppm2      8.234 CV     1
 OR {  625}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 OR {  625}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  630}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.400     0.700     0.700 peak   630 spectrum    1 weight  0.10000E+01 volume  0.71905E-02 ppm1      8.487 ppm2      2.332 CV     1
 OR {  630}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 OR {  630}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  631}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.500     0.800     0.800 peak   631 spectrum    1 weight  0.10000E+01 volume  0.40774E-02 ppm1      8.492 ppm2      2.221 CV     1
 OR {  631}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI {  633}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.400     0.700     0.700 peak   633 spectrum    1 weight  0.10000E+01 volume  0.48598E-02 ppm1      8.439 ppm2      2.209 CV     1
 OR {  633}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  634}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      2.400     0.700     0.700 peak   634 spectrum    1 weight  0.10000E+01 volume  0.46174E-02 ppm1      8.439 ppm2      2.040 CV     1
 OR {  634}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  635}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.600     1.600     1.600 peak   635 spectrum    1 weight  0.10000E+01 volume  0.12281E-02 ppm1      8.495 ppm2      1.533 CV     1
 OR {  635}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 OR {  635}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  642}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.700     0.900     0.900 peak   642 spectrum    1 weight  0.10000E+01 volume  0.22969E-02 ppm1      8.455 ppm2      1.436 CV     1
 OR {  642}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  645}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.400     1.400 peak   645 spectrum    1 weight  0.10000E+01 volume  0.12382E-02 ppm1      8.463 ppm2      4.032 CV     1
 OR {  645}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {  647}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak   647 spectrum    1 weight  0.10000E+01 volume  0.10398E-02 ppm1      8.463 ppm2      4.389 CV     1
 OR {  647}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  649}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.900     1.100     1.100 peak   649 spectrum    1 weight  0.10000E+01 volume  0.17613E-02 ppm1      8.448 ppm2      4.316 CV     1
 OR {  649}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  654}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.500     2.600     1.500 peak   654 spectrum    1 weight  0.10000E+01 volume  0.67298E-03 ppm1      8.135 ppm2      0.984 CV     1
 OR {  654}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  655}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   655 spectrum    1 weight  0.10000E+01 volume  0.57790E-02 ppm1      8.134 ppm2      4.096 CV     1
 OR {  655}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  655}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI {  656}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.600     1.600     1.600 peak   656 spectrum    1 weight  0.10000E+01 volume  0.80597E-03 ppm1      8.139 ppm2      4.344 CV     1
 OR {  656}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  662}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.100     1.100 peak   662 spectrum    1 weight  0.10000E+01 volume  0.25335E-02 ppm1      7.887 ppm2      4.544 CV     1
 OR {  662}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  665}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      4.600     2.600     1.400 peak   665 spectrum    1 weight  0.10000E+01 volume  0.54891E-03 ppm1      7.887 ppm2      1.580 CV     1
 OR {  665}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {  665}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  666}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      4.100     2.100     1.900 peak   666 spectrum    1 weight  0.10000E+01 volume  0.56378E-03 ppm1      7.886 ppm2      1.398 CV     1
 OR {  666}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  666}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  666}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  670}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak   670 spectrum    1 weight  0.10000E+01 volume  0.67889E-03 ppm1      7.885 ppm2      8.834 CV     1
 OR {  670}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  671}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.400     2.400     1.600 peak   671 spectrum    1 weight  0.10000E+01 volume  0.12029E-02 ppm1      7.730 ppm2      0.972 CV     1
 OR {  671}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  673}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      4.000     2.000     2.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.12961E-02 ppm1      7.731 ppm2      2.271 CV     1
 OR {  673}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  680}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      4.500     2.500     1.500 peak   680 spectrum    1 weight  0.10000E+01 volume  0.46523E-03 ppm1      7.728 ppm2      1.536 CV     1
 OR {  680}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  682}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HB2 ))
      3.900     1.900     1.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.10457E-02 ppm1      6.896 ppm2      1.638 CV     1
 OR {  682}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 31   and name HB1 ))
 OR {  682}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  682}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  696}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.500     0.800     0.800 peak   696 spectrum    1 weight  0.10000E+01 volume  0.52310E-02 ppm1      9.143 ppm2      7.478 CV     1
 OR {  696}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI {  703}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.400     1.400     1.400 peak   703 spectrum    1 weight  0.10000E+01 volume  0.31712E-02 ppm1      8.736 ppm2      1.687 CV     1
 OR {  703}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  705}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.600     1.600     1.600 peak   705 spectrum    1 weight  0.10000E+01 volume  0.18246E-02 ppm1      8.736 ppm2      1.126 CV     1
 OR {  705}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  707}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.500     2.500     1.500 peak   707 spectrum    1 weight  0.10000E+01 volume  0.84183E-03 ppm1      8.735 ppm2      0.968 CV     1
 OR {  707}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  708}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.400     2.400     1.600 peak   708 spectrum    1 weight  0.10000E+01 volume  0.11283E-02 ppm1      8.735 ppm2      0.873 CV     1
 OR {  708}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  709}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.000     2.000     2.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.13803E-02 ppm1      8.735 ppm2      0.789 CV     1
 OR {  709}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  718}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak   718 spectrum    1 weight  0.10000E+01 volume  0.39975E-02 ppm1      8.033 ppm2      7.722 CV     1
 OR {  718}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  722}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.500     1.500 peak   722 spectrum    1 weight  0.10000E+01 volume  0.12058E-02 ppm1      8.059 ppm2      4.547 CV     1
 OR {  722}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  735}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.500     2.500     1.500 peak   735 spectrum    1 weight  0.10000E+01 volume  0.66289E-03 ppm1      8.062 ppm2      2.049 CV     1
 OR {  735}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR {  735}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
 OR {  735}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  742}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.500     0.800     0.800 peak   742 spectrum    1 weight  0.10000E+01 volume  0.48376E-02 ppm1      8.062 ppm2      1.567 CV     1
 OR {  742}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  744}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.000     2.000     2.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.13971E-02 ppm1      8.060 ppm2      1.042 CV     1
 OR {  744}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  745}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.400     2.400     1.600 peak   745 spectrum    1 weight  0.10000E+01 volume  0.51384E-03 ppm1      8.056 ppm2      0.880 CV     1
 OR {  745}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  746}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.100     2.100     1.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.94631E-03 ppm1      8.060 ppm2      0.794 CV     1
 OR {  746}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  748}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      3.600     1.700     1.700 peak   748 spectrum    1 weight  0.10000E+01 volume  0.13163E-02 ppm1      7.954 ppm2      0.981 CV     1
 OR {  748}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  749}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      2.800     2.800     3.200 peak   749 spectrum    1 weight  0.10000E+01 volume  0.10826E-02 ppm1      7.955 ppm2      0.881 CV     1
 OR {  749}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  749}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  750}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.400     2.400     1.600 peak   750 spectrum    1 weight  0.10000E+01 volume  0.63696E-03 ppm1      8.060 ppm2      1.378 CV     1
 OR {  750}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  753}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      3.600     1.600     1.600 peak   753 spectrum    1 weight  0.10000E+01 volume  0.26313E-03 ppm1      8.489 ppm2      4.054 CV     1
 OR {  753}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 OR {  753}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {  770}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.300     1.300     1.300 peak   770 spectrum    1 weight  0.10000E+01 volume  0.27485E-02 ppm1      7.213 ppm2      1.056 CV     1
 OR {  770}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  770}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  773}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
      4.800     2.900     1.200 peak   773 spectrum    1 weight  0.10000E+01 volume  0.38840E-03 ppm1      7.213 ppm2      2.192 CV     1
 OR {  773}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  775}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.100     2.100     1.900 peak   775 spectrum    1 weight  0.10000E+01 volume  0.70074E-03 ppm1      7.215 ppm2      3.306 CV     1
 OR {  775}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  776}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.900     1.900     1.900 peak   776 spectrum    1 weight  0.10000E+01 volume  0.69891E-03 ppm1      7.214 ppm2      3.025 CV     1
 OR {  776}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  780}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      4.300     2.300     1.700 peak   780 spectrum    1 weight  0.10000E+01 volume  0.48328E-03 ppm1      7.212 ppm2      4.615 CV     1
 OR {  780}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  792}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      5.300     3.500     0.700 peak   792 spectrum    1 weight  0.10000E+01 volume  0.30291E-03 ppm1      8.765 ppm2      1.020 CV     1
 OR {  792}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI {  793}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HD1 ))
      5.600     4.000     0.400 peak   793 spectrum    1 weight  0.10000E+01 volume  0.19666E-03 ppm1      8.764 ppm2      4.022 CV     1
 OR {  793}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  804}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      4.600     2.700     1.400 peak   804 spectrum    1 weight  0.10000E+01 volume  0.66498E-03 ppm1      8.423 ppm2      2.841 CV     1
 OR {  804}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  805}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.500     1.600     1.600 peak   805 spectrum    1 weight  0.10000E+01 volume  0.11662E-02 ppm1      8.421 ppm2      2.182 CV     1
 OR {  805}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  806}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak   806 spectrum    1 weight  0.10000E+01 volume  0.21403E-02 ppm1      8.421 ppm2      4.372 CV     1
 OR {  806}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  813}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.200     2.200     1.800 peak   813 spectrum    1 weight  0.10000E+01 volume  0.84076E-03 ppm1      8.420 ppm2      1.843 CV     1
 OR {  813}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  815}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.000     2.000     2.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.13547E-02 ppm1      8.420 ppm2      1.062 CV     1
 OR {  815}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  819}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      3.100     1.200     1.200 peak   819 spectrum    1 weight  0.10000E+01 volume  0.34297E-02 ppm1      8.224 ppm2      0.999 CV     1
 OR {  819}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  829}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.800     1.800     1.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.58160E-03 ppm1      8.160 ppm2      2.843 CV     1
 OR {  829}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  834}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.800     2.900     1.200 peak   834 spectrum    1 weight  0.10000E+01 volume  0.33265E-03 ppm1      8.159 ppm2      3.914 CV     1
 OR {  834}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name H28B))
 ASSI {  835}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      4.800     2.900     1.200 peak   835 spectrum    1 weight  0.10000E+01 volume  0.37596E-03 ppm1      8.160 ppm2      2.329 CV     1
 OR {  835}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  835}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  836}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      3.800     1.800     1.800 peak   836 spectrum    1 weight  0.10000E+01 volume  0.21257E-02 ppm1      7.996 ppm2      0.967 CV     1
 OR {  836}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  836}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  845}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.700     2.800     1.300 peak   845 spectrum    1 weight  0.10000E+01 volume  0.30723E-03 ppm1      7.998 ppm2      1.134 CV     1
 OR {  845}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 60   and name HG12))
 ASSI {  847}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
      4.200     2.200     1.800 peak   847 spectrum    1 weight  0.10000E+01 volume  0.36044E-03 ppm1      7.997 ppm2      1.719 CV     1
 OR {  847}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  848}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   848 spectrum    1 weight  0.10000E+01 volume  0.32261E-02 ppm1      7.826 ppm2      8.237 CV     1
 OR {  848}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  855}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      5.200     3.400     0.800 peak   855 spectrum    1 weight  0.10000E+01 volume  0.23985E-03 ppm1      7.825 ppm2      1.121 CV     1
 OR {  855}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  860}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak   860 spectrum    1 weight  0.10000E+01 volume  0.18272E-02 ppm1      8.721 ppm2      4.250 CV     1
 OR {  860}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  861}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.900     0.900 peak   861 spectrum    1 weight  0.10000E+01 volume  0.41711E-02 ppm1      8.720 ppm2      3.947 CV     1
 OR {  861}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  866}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      4.100     2.100     1.900 peak   866 spectrum    1 weight  0.10000E+01 volume  0.40146E-03 ppm1      8.720 ppm2      2.332 CV     1
 OR {  866}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  866}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  867}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.100     2.100     1.900 peak   867 spectrum    1 weight  0.10000E+01 volume  0.44813E-03 ppm1      8.722 ppm2      2.200 CV     1
 OR {  867}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI {  870}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.500     1.500 peak   870 spectrum    1 weight  0.10000E+01 volume  0.15392E-02 ppm1      8.603 ppm2      8.475 CV     1
 OR {  870}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  882}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      2.900     2.900     3.100 peak   882 spectrum    1 weight  0.10000E+01 volume  0.15508E-02 ppm1      8.605 ppm2      1.268 CV     1
 OR {  882}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  894}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      5.300     3.500     0.700 peak   894 spectrum    1 weight  0.10000E+01 volume  0.30969E-03 ppm1      8.002 ppm2      4.347 CV     1
 OR {  894}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  906}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      4.500     2.500     1.500 peak   906 spectrum    1 weight  0.10000E+01 volume  0.86986E-03 ppm1      9.427 ppm2      1.704 CV     1
 OR {  906}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  910}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      3.200     1.300     1.300 peak   910 spectrum    1 weight  0.10000E+01 volume  0.21989E-02 ppm1      9.428 ppm2      0.980 CV     1
 OR {  910}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  911}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      4.000     2.000     2.000 peak   911 spectrum    1 weight  0.10000E+01 volume  0.17940E-02 ppm1      9.428 ppm2      0.882 CV     1
 OR {  911}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 OR {  911}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  922}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.000     0.500     0.500 peak   922 spectrum    1 weight  0.10000E+01 volume  0.15941E-01 ppm1      8.151 ppm2      4.384 CV     1
 OR {  922}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  926}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      4.300     2.300     1.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.10215E-02 ppm1      7.819 ppm2      1.058 CV     1
 OR {  926}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {  932}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.900     1.100     1.100 peak   932 spectrum    1 weight  0.10000E+01 volume  0.26651E-02 ppm1      7.844 ppm2      4.470 CV     1
 OR {  932}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  937}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak   937 spectrum    1 weight  0.10000E+01 volume  0.46613E-02 ppm1      7.818 ppm2      4.264 CV     1
 OR {  937}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  941}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.000     2.000     2.000 peak   941 spectrum    1 weight  0.10000E+01 volume  0.51351E-03 ppm1      7.817 ppm2      2.846 CV     1
 OR {  941}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  944}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      3.700     1.700     1.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.10181E-02 ppm1      7.596 ppm2      0.975 CV     1
 OR {  944}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  944}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  944}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  969}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.600     2.600     1.400 peak   969 spectrum    1 weight  0.10000E+01 volume  0.44996E-03 ppm1      8.073 ppm2      0.979 CV     1
 OR {  969}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 OR {  969}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  974}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.300     2.300     1.700 peak   974 spectrum    1 weight  0.10000E+01 volume  0.39306E-03 ppm1      8.072 ppm2      4.444 CV     1
 OR {  974}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI {  979}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.500     1.600     1.600 peak   979 spectrum    1 weight  0.10000E+01 volume  0.27069E-03 ppm1      8.068 ppm2      2.823 CV     1
 OR {  979}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  980}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.500     3.500     2.500 peak   980 spectrum    1 weight  0.10000E+01 volume  0.27409E-03 ppm1      8.073 ppm2      2.739 CV     1
 OR {  980}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  989}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 42   and name H4% )
      5.000     3.100     1.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.28905E-03 ppm1      8.306 ppm2      0.945 CV     1
 OR {  989}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  992}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      5.000     3.100     1.000 peak   992 spectrum    1 weight  0.10000E+01 volume  0.40543E-03 ppm1      8.722 ppm2      1.020 CV     1
 OR {  992}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  993}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      5.100     3.300     0.900 peak   993 spectrum    1 weight  0.10000E+01 volume  0.47950E-03 ppm1      8.721 ppm2      0.856 CV     1
 OR {  993}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2950}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H31%)
      3.500     1.600     1.600 peak  2950 spectrum    1 weight  0.10000E+01 volume  0.12488E-02 ppm1      2.756 ppm2      1.065 CV     1
 OR { 2950}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2982}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 42   and name H28B))
      4.500     2.500     1.500 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.49639E-03 ppm1      2.844 ppm2      3.925 CV     1
 OR { 2982}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 2983}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 42   and name H28B))
      3.500     1.500     1.500 peak  2983 spectrum    1 weight  0.10000E+01 volume  0.57414E-03 ppm1      2.756 ppm2      3.913 CV     1
 OR { 2983}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 5194}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      3.700     1.700     1.700 peak  5194 spectrum    1 weight  0.10000E+01 volume  0.14994E-02 ppm1      3.962 ppm2      1.661 CV     1
 OR { 5194}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 5197}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 50   and name HB% )
      2.900     1.100     1.100 peak  5197 spectrum    1 weight  0.10000E+01 volume  0.87431E-02 ppm1      1.545 ppm2      1.662 CV     1
 OR { 5197}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H3B ))
 OR { 5197}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 13   and name HB% )
 ASSI { 5208}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 43   and name HD2%)
      3.800     1.800     1.800 peak  5208 spectrum    1 weight  0.10000E+01 volume  0.91474E-03 ppm1      2.847 ppm2      1.073 CV     1
 OR { 5208}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {    7}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 42   and name H4% )
      3.400     1.400     1.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.18169E-02 ppm1      1.524 ppm2      0.944 CV     1
 OR {    7}
   (( segid "    " and resid 60   and name HG11))
   (  segid "    " and resid 42   and name H4% )
 ASSI {   30}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
      3.400     1.400     1.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.42143E-02 ppm1      4.261 ppm2      0.961 CV     1
 OR {   30}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 OR {   30}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   32}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
      3.700     1.700     1.700 peak    32 spectrum    1 weight  0.10000E+01 volume  0.37833E-02 ppm1      4.255 ppm2      1.064 CV     1
 OR {   32}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
 OR {   32}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   73}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H2B ))
      3.500     1.500     1.500 peak    73 spectrum    1 weight  0.10000E+01 volume  0.12060E-02 ppm1      1.053 ppm2      2.633 CV     1
 OR {   73}
   (  segid "    " and resid 42   and name H31%)
   (( segid "    " and resid 42   and name H2A ))
 OR {   73}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 42   and name H2A ))
 OR {   73}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 42   and name H2B ))
assign (resid      5 and name C  ) (resid      6 and name N )
       (resid      6 and name CA ) (resid      6 and name C)     9.2      1.2

assign (resid      6 and name C  ) (resid      7 and name N )
       (resid      7 and name CA ) (resid      7 and name C)     2.9      0.5

assign (resid      7 and name C  ) (resid      8 and name N )
       (resid      8 and name CA ) (resid      8 and name C)     3.8      0.6

assign (resid      8 and name C  ) (resid      9 and name N )
       (resid      9 and name CA ) (resid      9 and name C)     5.1      0.8

assign (resid      9 and name C  ) (resid     10 and name N )
       (resid     10 and name CA ) (resid     10 and name C)     4.9      0.8

assign (resid     10 and name C  ) (resid     11 and name N )
       (resid     11 and name CA ) (resid     11 and name C)     3.0      0.5

assign (resid     11 and name C  ) (resid     12 and name N )
       (resid     12 and name CA ) (resid     12 and name C)     3.6      0.6

assign (resid     12 and name C  ) (resid     13 and name N )
       (resid     13 and name CA ) (resid     13 and name C)     4.9      0.8

assign (resid     13 and name C  ) (resid     14 and name N )
       (resid     14 and name CA ) (resid     14 and name C)     4.9      0.8

assign (resid     14 and name C  ) (resid     15 and name N )
       (resid     15 and name CA ) (resid     15 and name C)     3.6      0.6

assign (resid     29 and name C  ) (resid     30 and name N )
       (resid     30 and name CA ) (resid     30 and name C)     7.0      1.0

assign (resid     30 and name C  ) (resid     31 and name N )
       (resid     31 and name CA ) (resid     31 and name C)     2.3      0.4

assign (resid     31 and name C  ) (resid     32 and name N )
       (resid     32 and name CA ) (resid     32 and name C)     9.1      1.2

assign (resid     32 and name C  ) (resid     33 and name N )
       (resid     33 and name CA ) (resid     33 and name C)     7.5      1.1

assign (resid     33 and name C  ) (resid     34 and name N )
       (resid     34 and name CA ) (resid     34 and name C)     6.4      1.0

assign (resid     34 and name C  ) (resid     35 and name N )
       (resid     35 and name CA ) (resid     35 and name C)     2.4      0.4

assign (resid     35 and name C  ) (resid     36 and name N )
       (resid     36 and name CA ) (resid     36 and name C)     3.2      0.6

assign (resid     36 and name C  ) (resid     37 and name N )
       (resid     37 and name CA ) (resid     37 and name C)     7.7      1.1

assign (resid     37 and name C  ) (resid     38 and name N )
       (resid     38 and name CA ) (resid     38 and name C)     9.2      1.2

assign (resid     39 and name C  ) (resid     40 and name N )
       (resid     40 and name CA ) (resid     40 and name C)     8.7      1.2

assign (resid     40 and name C  ) (resid     41 and name N )
       (resid     41 and name CA ) (resid     41 and name C)     7.8      1.1

assign (resid     41 and name C  ) (resid     42 and name N )
       (resid     42 and name CA ) (resid     42 and name C)     2.6      0.5

assign (resid     43 and name C  ) (resid     44 and name N )
       (resid     44 and name CA ) (resid     44 and name C)     4.4      0.7

assign (resid     44 and name C  ) (resid     45 and name N )
       (resid     45 and name CA ) (resid     45 and name C)     4.5      0.7

assign (resid     47 and name C  ) (resid     48 and name N )
       (resid     48 and name CA ) (resid     48 and name C)     4.4      0.7

assign (resid     48 and name C  ) (resid     49 and name N )
       (resid     49 and name CA ) (resid     49 and name C)     3.8      0.6

assign (resid     50 and name C  ) (resid     51 and name N )
       (resid     51 and name CA ) (resid     51 and name C)     4.7      0.8

assign (resid     51 and name C  ) (resid     52 and name N )
       (resid     52 and name CA ) (resid     52 and name C)     4.8      0.8

assign (resid     52 and name C  ) (resid     53 and name N )
       (resid     53 and name CA ) (resid     53 and name C)     3.7      0.6

assign (resid     53 and name C  ) (resid     54 and name N )
       (resid     54 and name CA ) (resid     54 and name C)     4.6      0.8

assign (resid     54 and name C  ) (resid     55 and name N )
       (resid     55 and name CA ) (resid     55 and name C)     4.8      0.8

assign (resid     55 and name C  ) (resid     56 and name N )
       (resid     56 and name CA ) (resid     56 and name C)     9.1      1.2

assign (resid     57 and name C  ) (resid     58 and name N )
       (resid     58 and name CA ) (resid     58 and name C)     9.3      1.2

assign (resid     58 and name C  ) (resid     59 and name N )
       (resid     59 and name CA ) (resid     59 and name C)     8.7      1.2

assign (resid     59 and name C  ) (resid     60 and name N )
       (resid     60 and name CA ) (resid     60 and name C)     8.9      1.2

assign (resid     61 and name C  ) (resid     62 and name N )
       (resid     62 and name CA ) (resid     62 and name C)     3.5      0.6

assign (resid     62 and name C  ) (resid     63 and name N )
       (resid     63 and name CA ) (resid     63 and name C)     6.2      1.0

assign (resid     63 and name C  ) (resid     64 and name N )
       (resid     64 and name CA ) (resid     64 and name C)     6.8      1.0

assign (resid     64 and name C  ) (resid     65 and name N )
       (resid     65 and name CA ) (resid     65 and name C)     4.2      0.7

assign (resid     66 and name C  ) (resid     67 and name N )
       (resid     67 and name CA ) (resid     67 and name C)     8.9      1.2

assign (resid     67 and name C  ) (resid     68 and name N )
       (resid     68 and name CA ) (resid     68 and name C)     7.0      1.0

assign (resid     68 and name C  ) (resid     69 and name N )
       (resid     69 and name CA ) (resid     69 and name C)     8.5      1.2

assign (resid     69 and name C  ) (resid     70 and name N )
       (resid     70 and name CA ) (resid     70 and name C)     9.1      1.2

assign (resid     71 and name C  ) (resid     72 and name N )
       (resid     72 and name CA ) (resid     72 and name C)     2.6      0.5

assign (resid     72 and name C  ) (resid     73 and name N )
       (resid     73 and name CA ) (resid     73 and name C)     4.8      0.8

assign (resid     73 and name C  ) (resid     74 and name N )
       (resid     74 and name CA ) (resid     74 and name C)     5.2      0.8

assign (resid     74 and name C  ) (resid     75 and name N )
       (resid     75 and name CA ) (resid     75 and name C)     3.4      0.6

assign (resid     76 and name C  ) (resid     77 and name N )
       (resid     77 and name CA ) (resid     77 and name C)     4.7      0.8

assign (resid     78 and name C  ) (resid     79 and name N )
       (resid     79 and name CA ) (resid     79 and name C)     4.6      0.8

assign (resid     80 and name C  ) (resid     81 and name N )
       (resid     81 and name CA ) (resid     81 and name C)     5.8      0.9

assign (resid     82 and name C  ) (resid     83 and name N )
       (resid     83 and name CA ) (resid     83 and name C)     4.5      0.7
! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/chsee/structure_calcs/butyryl/pred.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid   2 and name C)
       (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       1.0 -116  44 2

! Talos derived phi restraint:
assign (resid   4 and name C)
       (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       1.0 -81  48 2

! Talos derived phi restraint:
assign (resid   5 and name C)
       (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       1.0 -99  40 2

! Talos derived phi restraint:
assign (resid   6 and name C)
       (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid   7 and name C)
       (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -59  20 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -59  20 2

! Talos derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  14 and name C)
       (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  16 and name C)
       (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       1.0 -73  30 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -94  44 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -85  56 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  36 and name C)
       (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  37 and name C)
       (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       1.0 -100  30 2

! Talos derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -107  50 2

! Talos derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  43 and name C)
       (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  44 and name C)
       (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  45 and name C)
       (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  47 and name C)
       (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       1.0 -70  20 2

! Talos derived phi restraint:
assign (resid  48 and name C)
       (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  49 and name C)
       (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  50 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  51 and name C)
       (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  52 and name C)
       (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  53 and name C)
       (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  54 and name C)
       (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       1.0 -72  20 2

! Talos derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -97  20 2

! Talos derived phi restraint:
assign (resid  56 and name C)
       (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       1.0  69  24 2

! Talos derived phi restraint:
assign (resid  57 and name C)
       (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       1.0 -125  50 2

! Talos derived phi restraint:
assign (resid  58 and name C)
       (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       1.0 -108  46 2

! Talos derived phi restraint:
assign (resid  59 and name C)
       (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       1.0 -102  48 2

! Talos derived phi restraint:
assign (resid  60 and name C)
       (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  61 and name C)
       (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       1.0 -58  20 2

! Talos derived phi restraint:
assign (resid  62 and name C)
       (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  63 and name C)
       (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  64 and name C)
       (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       1.0 -72  24 2

! Talos derived phi restraint:
assign (resid  69 and name C)
       (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       1.0 -106  48 2

! Talos derived phi restraint:
assign (resid  70 and name C)
       (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  71 and name C)
       (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  73 and name C)
       (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  74 and name C)
       (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  75 and name C)
       (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  76 and name C)
       (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  77 and name C)
       (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  79 and name C)
       (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  80 and name C)
       (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  81 and name C)
       (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  82 and name C)
       (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       1.0 -75  30 2

! Talos derived psi restraint:
assign (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       (resid   4 and name N)
       1.0 128  20 2

! Talos derived psi restraint:
assign (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       (resid   6 and name N)
       1.0 144  20 2

! Talos derived psi restraint:
assign (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       (resid   7 and name N)
       1.0 169  20 2

! Talos derived psi restraint:
assign (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       (resid   8 and name N)
       1.0 -34  20 2

! Talos derived psi restraint:
assign (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       (resid   9 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid  10 and name N)
       1.0 -39  22 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       (resid  16 and name N)
       1.0 -39  22 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0 -33  20 2

! Talos derived psi restraint:
assign (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       (resid  18 and name N)
       1.0 -33  30 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 -26  28 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 -15  54 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 151  26 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 -32  20 2

! Talos derived psi restraint:
assign (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       (resid  37 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       (resid  38 and name N)
       1.0 -29  20 2

! Talos derived psi restraint:
assign (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       (resid  39 and name N)
       1.0   4  28 2

! Talos derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0 133  30 2

! Talos derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0 -38  22 2

! Talos derived psi restraint:
assign (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       (resid  45 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       (resid  46 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       (resid  47 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       (resid  49 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       (resid  50 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       (resid  51 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       (resid  53 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       (resid  54 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       (resid  55 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       (resid  56 and name N)
       1.0 -34  20 2

! Talos derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0   3  26 2

! Talos derived psi restraint:
assign (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       (resid  58 and name N)
       1.0  31  38 2

! Talos derived psi restraint:
assign (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       (resid  59 and name N)
       1.0 151  26 2

! Talos derived psi restraint:
assign (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       (resid  60 and name N)
       1.0 131  32 2

! Talos derived psi restraint:
assign (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       (resid  61 and name N)
       1.0 131  26 2

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 140  20 2

! Talos derived psi restraint:
assign (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       (resid  63 and name N)
       1.0 -29  34 2

! Talos derived psi restraint:
assign (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       (resid  64 and name N)
       1.0 -37  24 2

! Talos derived psi restraint:
assign (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       (resid  65 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       (resid  66 and name N)
       1.0 -23  26 2

! Talos derived psi restraint:
assign (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       (resid  71 and name N)
       1.0 155  26 2

! Talos derived psi restraint:
assign (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       (resid  72 and name N)
       1.0 -32  20 2

! Talos derived psi restraint:
assign (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       (resid  73 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       (resid  75 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       (resid  76 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       (resid  77 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       (resid  78 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       (resid  79 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 -36  20 2

! Talos derived psi restraint:
assign (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       (resid  81 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       (resid  82 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       (resid  83 and name N)
       1.0 -39  26 2

! Talos derived psi restraint:
assign (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       (resid  84 and name N)
       1.0 -24  42 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  21.583   9.234   0.428
    2    H2   MET   1           HT2      MET   1  20.597   8.698  -0.842
    3    H3   MET   1           HT3      MET   1  21.376   7.589   0.146
    4    HA   MET   1           HA       MET   1  20.143   8.064   2.013
    5    HB2  MET   1           HB2      MET   1  18.310   9.654   2.044
    6    HB3  MET   1           HB1      MET   1  19.793  10.489   1.631
    7    HG2  MET   1           HG2      MET   1  19.140  10.581  -0.692
    8    HG3  MET   1           HG1      MET   1  17.696   9.627  -0.351
    9    HE1  MET   1           HE1      MET   1  19.205  12.427   1.957
   10    HE2  MET   1           HE2      MET   1  18.393  13.869   1.346
   11    HE3  MET   1           HE3      MET   1  19.561  13.020   0.334
   12    H    ALA   2           HN       ALA   2  18.204   7.007   2.408
   13    HA   ALA   2           HA       ALA   2  17.274   5.443   0.135
   14    HB1  ALA   2           HB1      ALA   2  16.118   4.095   1.843
   15    HB2  ALA   2           HB2      ALA   2  16.652   5.220   3.090
   16    HB3  ALA   2           HB3      ALA   2  17.835   4.254   2.210
   17    H    THR   3           HN       THR   3  15.759   6.498  -1.028
   18    HA   THR   3           HA       THR   3  14.047   8.438   0.153
   19    HB   THR   3           HB       THR   3  12.991   8.355  -2.193
   20    HG1  THR   3           HG1      THR   3  13.560   6.481  -3.037
   21   HG21  THR   3          HG21      THR   3  14.895   9.549  -3.204
   22   HG22  THR   3          HG22      THR   3  15.945   8.946  -1.921
   23   HG23  THR   3          HG23      THR   3  14.622  10.051  -1.535
   24    H    LEU   4           HN       LEU   4  12.480   7.844   1.454
   25    HA   LEU   4           HA       LEU   4  11.119   5.278   1.036
   26    HB2  LEU   4           HB2      LEU   4  11.140   7.048   3.477
   27    HB3  LEU   4           HB1      LEU   4  10.404   5.469   3.354
   28    HG   LEU   4           HG       LEU   4  13.345   6.115   3.341
   29   HD11  LEU   4          HD11      LEU   4  11.618   4.582   5.269
   30   HD12  LEU   4          HD12      LEU   4  12.310   6.185   5.524
   31   HD13  LEU   4          HD13      LEU   4  13.367   4.780   5.387
   32   HD21  LEU   4          HD21      LEU   4  13.726   3.694   3.220
   33   HD22  LEU   4          HD22      LEU   4  12.927   4.300   1.771
   34   HD23  LEU   4          HD23      LEU   4  11.995   3.435   2.996
   35    H    LEU   5           HN       LEU   5   8.805   5.286   1.727
   36    HA   LEU   5           HA       LEU   5   7.437   7.416   0.319
   37    HB2  LEU   5           HB2      LEU   5   6.363   4.877   1.527
   38    HB3  LEU   5           HB1      LEU   5   5.487   5.982   0.494
   39    HG   LEU   5           HG       LEU   5   7.807   4.239  -0.307
   40   HD11  LEU   5          HD11      LEU   5   5.753   3.008   0.052
   41   HD12  LEU   5          HD12      LEU   5   6.140   3.088  -1.667
   42   HD13  LEU   5          HD13      LEU   5   4.882   4.126  -0.993
   43   HD21  LEU   5          HD21      LEU   5   6.135   6.126  -1.945
   44   HD22  LEU   5          HD22      LEU   5   7.353   5.016  -2.577
   45   HD23  LEU   5          HD23      LEU   5   7.832   6.347  -1.518
   46    H    THR   6           HN       THR   6   6.110   8.773   1.257
   47    HA   THR   6           HA       THR   6   5.897   8.814   4.157
   48    HB   THR   6           HB       THR   6   4.879  11.124   3.614
   49    HG1  THR   6           HG1      THR   6   6.214  10.694   1.144
   50   HG21  THR   6          HG21      THR   6   7.097  12.149   3.290
   51   HG22  THR   6          HG22      THR   6   7.761  10.575   2.846
   52   HG23  THR   6          HG23      THR   6   7.168  10.852   4.485
   53    H    THR   7           HN       THR   7   3.597   9.724   4.873
   54    HA   THR   7           HA       THR   7   1.609   7.871   4.303
   55    HB   THR   7           HB       THR   7   1.183  10.736   5.186
   56    HG1  THR   7           HG1      THR   7   1.478   9.944   7.268
   57   HG21  THR   7          HG21      THR   7  -0.412   8.214   5.703
   58   HG22  THR   7          HG22      THR   7  -0.879   9.537   4.633
   59   HG23  THR   7          HG23      THR   7  -0.764   9.808   6.372
   60    H    ASP   8           HN       ASP   8   2.097  11.143   3.039
   61    HA   ASP   8           HA       ASP   8  -0.120  11.339   1.368
   62    HB2  ASP   8           HB2      ASP   8   1.118  13.289   1.855
   63    HB3  ASP   8           HB1      ASP   8   2.607  12.589   1.225
   64    H    ASP   9           HN       ASP   9   3.091  10.051   0.664
   65    HA   ASP   9           HA       ASP   9   2.634   9.747  -2.139
   66    HB2  ASP   9           HB2      ASP   9   4.905   9.734  -0.848
   67    HB3  ASP   9           HB1      ASP   9   4.578   8.022  -0.610
   68    H    LEU  10           HN       LEU  10   2.368   7.631   0.644
   69    HA   LEU  10           HA       LEU  10   1.528   5.321  -0.744
   70    HB2  LEU  10           HB2      LEU  10   2.375   5.296   1.557
   71    HB3  LEU  10           HB1      LEU  10   0.973   6.198   2.091
   72    HG   LEU  10           HG       LEU  10  -0.442   4.261   1.343
   73   HD11  LEU  10          HD11      LEU  10   2.219   2.887   1.103
   74   HD12  LEU  10          HD12      LEU  10   1.101   3.238  -0.213
   75   HD13  LEU  10          HD13      LEU  10   0.646   2.094   1.053
   76   HD21  LEU  10          HD21      LEU  10   0.077   2.889   3.299
   77   HD22  LEU  10          HD22      LEU  10   0.111   4.611   3.678
   78   HD23  LEU  10          HD23      LEU  10   1.620   3.723   3.471
   79    H    ARG  11           HN       ARG  11  -0.185   8.014   0.742
   80    HA   ARG  11           HA       ARG  11  -2.818   7.209   0.581
   81    HB2  ARG  11           HB2      ARG  11  -1.972   9.342   1.601
   82    HB3  ARG  11           HB1      ARG  11  -1.870  10.009  -0.023
   83    HG2  ARG  11           HG2      ARG  11  -4.355   9.428  -0.229
   84    HG3  ARG  11           HG1      ARG  11  -4.256   9.170   1.527
   85    HD2  ARG  11           HD2      ARG  11  -3.495  11.730   0.134
   86    HD3  ARG  11           HD1      ARG  11  -5.051  11.441   0.906
   87    HE   ARG  11           HE       ARG  11  -3.352  10.899   2.883
   88   HH11  ARG  11          HH11      ARG  11  -3.563  13.709   0.709
   89   HH12  ARG  11          HH12      ARG  11  -2.905  14.785   1.868
   90   HH21  ARG  11          HH21      ARG  11  -2.527  12.334   4.409
   91   HH22  ARG  11          HH22      ARG  11  -2.297  13.989   4.065
   92    H    ARG  12           HN       ARG  12  -1.037   9.060  -1.842
   93    HA   ARG  12           HA       ARG  12  -3.095   8.942  -3.738
   94    HB2  ARG  12           HB2      ARG  12  -1.396   9.608  -5.450
   95    HB3  ARG  12           HB1      ARG  12  -1.557  10.660  -4.052
   96    HG2  ARG  12           HG2      ARG  12   0.491   9.845  -3.131
   97    HG3  ARG  12           HG1      ARG  12   0.597   8.593  -4.371
   98    HD2  ARG  12           HD2      ARG  12   2.089  10.513  -4.808
   99    HD3  ARG  12           HD1      ARG  12   0.911  10.246  -6.086
  100    HE   ARG  12           HE       ARG  12  -0.350  12.111  -4.691
  101   HH11  ARG  12          HH11      ARG  12   3.106  12.008  -5.446
  102   HH12  ARG  12          HH12      ARG  12   3.218  13.698  -5.629
  103   HH21  ARG  12          HH21      ARG  12  -0.190  14.338  -4.939
  104   HH22  ARG  12          HH22      ARG  12   1.295  15.066  -5.357
  105    H    ALA  13           HN       ALA  13  -0.607   6.660  -3.007
  106    HA   ALA  13           HA       ALA  13  -0.872   5.090  -5.345
  107    HB1  ALA  13           HB1      ALA  13   0.220   3.335  -4.060
  108    HB2  ALA  13           HB2      ALA  13  -0.030   4.256  -2.575
  109    HB3  ALA  13           HB3      ALA  13   1.038   4.880  -3.833
  110    H    LEU  14           HN       LEU  14  -2.473   5.048  -2.211
  111    HA   LEU  14           HA       LEU  14  -4.180   2.868  -2.822
  112    HB2  LEU  14           HB2      LEU  14  -4.318   5.081  -0.797
  113    HB3  LEU  14           HB1      LEU  14  -5.722   4.078  -1.062
  114    HG   LEU  14           HG       LEU  14  -4.497   3.346   0.894
  115   HD11  LEU  14          HD11      LEU  14  -4.264   1.377  -1.356
  116   HD12  LEU  14          HD12      LEU  14  -5.681   1.670  -0.346
  117   HD13  LEU  14          HD13      LEU  14  -4.218   0.991   0.365
  118   HD21  LEU  14          HD21      LEU  14  -2.261   2.359   0.738
  119   HD22  LEU  14          HD22      LEU  14  -2.253   4.069   0.301
  120   HD23  LEU  14          HD23      LEU  14  -2.177   2.837  -0.960
  121    H    VAL  15           HN       VAL  15  -4.487   6.336  -3.213
  122    HA   VAL  15           HA       VAL  15  -7.021   6.217  -4.388
  123    HB   VAL  15           HB       VAL  15  -4.918   8.425  -4.456
  124   HG11  VAL  15          HG11      VAL  15  -7.751   8.593  -5.497
  125   HG12  VAL  15          HG12      VAL  15  -6.300   8.652  -6.494
  126   HG13  VAL  15          HG13      VAL  15  -6.624   9.943  -5.335
  127   HG21  VAL  15          HG21      VAL  15  -5.935   7.967  -2.324
  128   HG22  VAL  15          HG22      VAL  15  -7.543   8.136  -3.031
  129   HG23  VAL  15          HG23      VAL  15  -6.464   9.530  -2.948
  130    H    GLU  16           HN       GLU  16  -4.077   5.201  -5.686
  131    HA   GLU  16           HA       GLU  16  -4.567   5.548  -8.474
  132    HB2  GLU  16           HB2      GLU  16  -2.858   3.551  -6.985
  133    HB3  GLU  16           HB1      GLU  16  -2.898   3.691  -8.731
  134    HG2  GLU  16           HG2      GLU  16  -2.054   5.876  -6.850
  135    HG3  GLU  16           HG1      GLU  16  -0.960   4.767  -7.680
  136    H    SER  17           HN       SER  17  -4.878   2.734  -6.286
  137    HA   SER  17           HA       SER  17  -6.054   1.107  -8.297
  138    HB2  SER  17           HB2      SER  17  -6.126  -0.536  -6.253
  139    HB3  SER  17           HB1      SER  17  -4.603   0.111  -6.779
  140    HG   SER  17           HG       SER  17  -6.113   1.079  -4.604
  141    H    ALA  18           HN       ALA  18  -7.210   3.401  -6.161
  142    HA   ALA  18           HA       ALA  18  -9.924   2.366  -6.042
  143    HB1  ALA  18           HB1      ALA  18  -9.001   3.506  -4.086
  144    HB2  ALA  18           HB2      ALA  18 -10.376   4.397  -4.741
  145    HB3  ALA  18           HB3      ALA  18  -8.732   4.957  -5.051
  146    H    GLY  19           HN       GLY  19  -7.972   4.028  -8.135
  147    HA2  GLY  19           HA2      GLY  19  -9.989   5.834  -9.161
  148    HA3  GLY  19           HA1      GLY  19  -8.306   5.727  -9.669
  149    H    GLU  20           HN       GLU  20 -11.276   3.925  -9.662
  150    HA   GLU  20           HA       GLU  20 -10.690   3.095 -12.426
  151    HB2  GLU  20           HB2      GLU  20 -10.453   1.231 -10.737
  152    HB3  GLU  20           HB1      GLU  20 -12.141   1.447 -10.329
  153    HG2  GLU  20           HG2      GLU  20 -11.885  -0.457 -11.788
  154    HG3  GLU  20           HG1      GLU  20 -12.777   0.819 -12.611
  155    H    THR  21           HN       THR  21 -12.324   5.130 -10.719
  156    HA   THR  21           HA       THR  21 -14.199   6.314 -10.800
  157    HB   THR  21           HB       THR  21 -14.702   5.103 -13.542
  158    HG1  THR  21           HG1      THR  21 -13.248   6.557 -14.340
  159   HG21  THR  21          HG21      THR  21 -16.476   6.563 -12.641
  160   HG22  THR  21          HG22      THR  21 -15.663   7.320 -14.013
  161   HG23  THR  21          HG23      THR  21 -15.289   7.837 -12.369
  162    H    ASP  22           HN       ASP  22 -14.823   4.706  -9.093
  163    HA   ASP  22           HA       ASP  22 -17.376   3.467  -9.839
  164    HB2  ASP  22           HB2      ASP  22 -15.224   2.108  -8.204
  165    HB3  ASP  22           HB1      ASP  22 -16.904   1.610  -8.153
  166    H    GLY  23           HN       GLY  23 -15.394   3.941  -6.875
  167    HA2  GLY  23           HA2      GLY  23 -16.289   5.724  -5.440
  168    HA3  GLY  23           HA1      GLY  23 -17.802   4.807  -5.540
  169    H    THR  24           HN       THR  24 -17.473   4.614  -3.280
  170    HA   THR  24           HA       THR  24 -16.908   3.575  -1.349
  171    HB   THR  24           HB       THR  24 -16.659   1.045  -1.480
  172    HG1  THR  24           HG1      THR  24 -16.201   1.665  -4.034
  173   HG21  THR  24          HG21      THR  24 -18.972   0.673  -2.253
  174   HG22  THR  24          HG22      THR  24 -18.984   2.286  -2.962
  175   HG23  THR  24          HG23      THR  24 -18.845   2.093  -1.215
  176    H    ASP  25           HN       ASP  25 -14.800   5.002  -2.123
  177    HA   ASP  25           HA       ASP  25 -12.554   3.206  -1.525
  178    HB2  ASP  25           HB2      ASP  25 -11.031   4.631  -2.750
  179    HB3  ASP  25           HB1      ASP  25 -12.357   4.162  -3.797
  180    H    LEU  26           HN       LEU  26 -10.637   4.654  -0.732
  181    HA   LEU  26           HA       LEU  26 -11.606   5.574   1.796
  182    HB2  LEU  26           HB2      LEU  26  -9.179   5.686   2.417
  183    HB3  LEU  26           HB1      LEU  26  -9.770   4.115   1.933
  184    HG   LEU  26           HG       LEU  26  -8.758   5.041  -0.421
  185   HD11  LEU  26          HD11      LEU  26  -7.821   7.058   0.562
  186   HD12  LEU  26          HD12      LEU  26  -6.550   5.976  -0.006
  187   HD13  LEU  26          HD13      LEU  26  -6.911   6.079   1.714
  188   HD21  LEU  26          HD21      LEU  26  -7.292   3.551   1.724
  189   HD22  LEU  26          HD22      LEU  26  -6.884   3.557   0.007
  190   HD23  LEU  26          HD23      LEU  26  -8.407   2.854   0.548
  191    H    SER  27           HN       SER  27  -9.385   7.059  -0.537
  192    HA   SER  27           HA       SER  27  -8.556   9.111  -0.664
  193    HB2  SER  27           HB2      SER  27 -10.528  10.817  -1.184
  194    HB3  SER  27           HB1      SER  27 -10.073   9.529  -2.304
  195    HG   SER  27           HG       SER  27 -11.781   8.415  -1.793
  196    H    GLY  28           HN       GLY  28  -7.425   9.843   0.920
  197    HA2  GLY  28           HA2      GLY  28  -7.355  11.836   2.409
  198    HA3  GLY  28           HA1      GLY  28  -8.868  11.257   3.090
  199    H    ASP  29           HN       ASP  29  -8.674  10.280   4.984
  200    HA   ASP  29           HA       ASP  29  -6.057   9.287   5.819
  201    HB2  ASP  29           HB2      ASP  29  -7.161  10.892   7.332
  202    HB3  ASP  29           HB1      ASP  29  -8.564   9.834   7.438
  203    H    PHE  30           HN       PHE  30  -5.735   7.252   6.398
  204    HA   PHE  30           HA       PHE  30  -7.773   5.165   6.223
  205    HB2  PHE  30           HB2      PHE  30  -6.942   4.118   4.137
  206    HB3  PHE  30           HB1      PHE  30  -7.446   5.772   3.837
  207    HD1  PHE  30           HD2      PHE  30  -5.652   7.585   3.737
  208    HD2  PHE  30           HD1      PHE  30  -4.732   3.442   3.624
  209    HE1  PHE  30           HE2      PHE  30  -3.483   8.090   2.700
  210    HE2  PHE  30           HE1      PHE  30  -2.573   3.948   2.593
  211    HZ   PHE  30           HZ       PHE  30  -1.834   6.317   2.407
  212    H    LEU  31           HN       LEU  31  -4.531   6.243   6.641
  213    HA   LEU  31           HA       LEU  31  -2.892   4.121   6.410
  214    HB2  LEU  31           HB2      LEU  31  -2.307   6.474   6.674
  215    HB3  LEU  31           HB1      LEU  31  -2.683   6.377   8.380
  216    HG   LEU  31           HG       LEU  31  -0.861   4.622   8.555
  217   HD11  LEU  31          HD11      LEU  31   0.835   4.626   6.803
  218   HD12  LEU  31          HD12      LEU  31  -0.187   5.672   5.817
  219   HD13  LEU  31          HD13      LEU  31  -0.717   4.036   6.212
  220   HD21  LEU  31          HD21      LEU  31   0.932   6.280   8.615
  221   HD22  LEU  31          HD22      LEU  31  -0.553   6.915   9.323
  222   HD23  LEU  31          HD23      LEU  31  -0.072   7.402   7.697
  223    H    ASP  32           HN       ASP  32  -4.916   4.829   9.211
  224    HA   ASP  32           HA       ASP  32  -3.506   2.763  10.761
  225    HB2  ASP  32           HB2      ASP  32  -5.629   4.657  11.765
  226    HB3  ASP  32           HB1      ASP  32  -4.500   3.701  12.715
  227    H    LEU  33           HN       LEU  33  -6.144   3.017   8.797
  228    HA   LEU  33           HA       LEU  33  -7.919   1.308  10.338
  229    HB2  LEU  33           HB2      LEU  33  -8.186   2.601   7.623
  230    HB3  LEU  33           HB1      LEU  33  -9.373   1.486   8.237
  231    HG   LEU  33           HG       LEU  33  -9.794   3.112  10.128
  232   HD11  LEU  33          HD11      LEU  33  -7.715   4.358  10.054
  233   HD12  LEU  33          HD12      LEU  33  -9.107   5.421   9.848
  234   HD13  LEU  33          HD13      LEU  33  -8.128   4.968   8.453
  235   HD21  LEU  33          HD21      LEU  33 -10.260   4.097   7.328
  236   HD22  LEU  33          HD22      LEU  33 -11.121   4.638   8.766
  237   HD23  LEU  33          HD23      LEU  33 -11.276   2.965   8.223
  238    H    ARG  34           HN       ARG  34  -8.803  -0.652   9.250
  239    HA   ARG  34           HA       ARG  34  -6.664  -2.253   8.130
  240    HB2  ARG  34           HB2      ARG  34  -9.608  -2.870   8.458
  241    HB3  ARG  34           HB1      ARG  34  -8.379  -4.026   7.971
  242    HG2  ARG  34           HG2      ARG  34  -8.469  -2.587  10.598
  243    HG3  ARG  34           HG1      ARG  34  -9.018  -4.237  10.312
  244    HD2  ARG  34           HD2      ARG  34  -6.833  -4.915   9.690
  245    HD3  ARG  34           HD1      ARG  34  -6.220  -3.265   9.805
  246    HE   ARG  34           HE       ARG  34  -7.496  -4.263  12.198
  247   HH11  ARG  34          HH11      ARG  34  -4.340  -4.066  10.610
  248   HH12  ARG  34          HH12      ARG  34  -3.474  -4.476  12.025
  249   HH21  ARG  34          HH21      ARG  34  -6.248  -4.796  14.109
  250   HH22  ARG  34          HH22      ARG  34  -4.525  -4.878  13.981
  251    H    PHE  35           HN       PHE  35  -6.506  -2.973   6.001
  252    HA   PHE  35           HA       PHE  35  -7.530  -1.435   3.898
  253    HB2  PHE  35           HB2      PHE  35  -6.723  -4.353   3.810
  254    HB3  PHE  35           HB1      PHE  35  -6.997  -3.348   2.396
  255    HD1  PHE  35           HD2      PHE  35  -5.430  -1.570   1.824
  256    HD2  PHE  35           HD1      PHE  35  -4.789  -4.174   5.110
  257    HE1  PHE  35           HE2      PHE  35  -3.065  -0.890   1.894
  258    HE2  PHE  35           HE1      PHE  35  -2.470  -3.515   5.217
  259    HZ   PHE  35           HZ       PHE  35  -1.569  -1.866   3.591
  260    H    GLU  36           HN       GLU  36  -8.683  -4.450   5.307
  261    HA   GLU  36           HA       GLU  36 -10.914  -5.039   3.874
  262    HB2  GLU  36           HB2      GLU  36  -9.798  -6.268   5.752
  263    HB3  GLU  36           HB1      GLU  36 -10.528  -5.138   6.867
  264    HG2  GLU  36           HG2      GLU  36 -12.030  -6.968   5.051
  265    HG3  GLU  36           HG1      GLU  36 -11.586  -7.352   6.712
  266    H    ASP  37           HN       ASP  37 -10.445  -2.561   6.353
  267    HA   ASP  37           HA       ASP  37 -13.275  -2.023   6.557
  268    HB2  ASP  37           HB2      ASP  37 -11.692  -1.911   8.487
  269    HB3  ASP  37           HB1      ASP  37 -10.969  -0.487   7.748
  270    H    ILE  38           HN       ILE  38 -10.604  -0.827   4.747
  271    HA   ILE  38           HA       ILE  38 -12.104   1.576   4.016
  272    HB   ILE  38           HB       ILE  38 -10.037   2.342   2.834
  273   HG12  ILE  38          HG12      ILE  38  -8.823  -0.130   4.099
  274   HG13  ILE  38          HG11      ILE  38  -9.042   0.150   2.378
  275   HG21  ILE  38          HG21      ILE  38  -8.767   2.871   4.868
  276   HG22  ILE  38          HG22      ILE  38  -9.711   1.676   5.753
  277   HG23  ILE  38          HG23      ILE  38 -10.500   3.102   5.082
  278   HD11  ILE  38          HD11      ILE  38  -6.733   0.450   3.090
  279   HD12  ILE  38          HD12      ILE  38  -7.231   1.741   4.189
  280   HD13  ILE  38          HD13      ILE  38  -7.417   1.935   2.443
  281    H    GLY  39           HN       GLY  39 -12.552  -1.262   3.071
  282    HA2  GLY  39           HA2      GLY  39 -13.657  -2.040   1.188
  283    HA3  GLY  39           HA1      GLY  39 -13.372  -0.487   0.428
  284    H    TYR  40           HN       TYR  40 -10.660  -2.190   1.715
  285    HA   TYR  40           HA       TYR  40  -9.828  -2.690  -0.992
  286    HB2  TYR  40           HB2      TYR  40  -8.333  -1.765   1.372
  287    HB3  TYR  40           HB1      TYR  40  -7.504  -2.907   0.315
  288    HD1  TYR  40           HD2      TYR  40  -9.611   0.173   0.054
  289    HD2  TYR  40           HD1      TYR  40  -6.405  -2.139  -1.467
  290    HE1  TYR  40           HE2      TYR  40  -9.221   1.863  -1.687
  291    HE2  TYR  40           HE1      TYR  40  -6.017  -0.483  -3.204
  292    HH   TYR  40           HH       TYR  40  -7.280   2.569  -3.238
  293    H    ASP  41           HN       ASP  41 -10.245  -4.497  -1.664
  294    HA   ASP  41           HA       ASP  41 -10.040  -6.889  -0.037
  295    HB2  ASP  41           HB2      ASP  41 -11.150  -7.981  -1.855
  296    HB3  ASP  41           HB1      ASP  41 -11.955  -6.432  -1.645
  297    H    SER  42           HN       SER  42  -9.083  -8.798  -1.642
  298    HA   SER  42           HA       SER  42  -6.343  -8.423  -1.596
  299    HB2  SER  42           HB2      SER  42  -6.156 -10.589  -2.770
  300    HB3  SER  42           HB1      SER  42  -7.344 -10.657  -1.468
  301    H    LEU  43           HN       LEU  43  -8.544  -7.988  -4.338
  302    HA   LEU  43           HA       LEU  43  -6.429  -7.753  -6.259
  303    HB2  LEU  43           HB2      LEU  43  -8.757  -8.514  -6.807
  304    HB3  LEU  43           HB1      LEU  43  -9.338  -6.910  -6.457
  305    HG   LEU  43           HG       LEU  43  -7.424  -7.535  -8.729
  306   HD11  LEU  43          HD11      LEU  43  -9.381  -7.402 -10.186
  307   HD12  LEU  43          HD12      LEU  43 -10.421  -7.250  -8.768
  308   HD13  LEU  43          HD13      LEU  43  -9.511  -8.735  -9.038
  309   HD21  LEU  43          HD21      LEU  43  -7.441  -5.143  -8.057
  310   HD22  LEU  43          HD22      LEU  43  -9.192  -5.112  -8.225
  311   HD23  LEU  43          HD23      LEU  43  -8.173  -5.366  -9.639
  312    H    ALA  44           HN       ALA  44  -8.498  -5.535  -4.503
  313    HA   ALA  44           HA       ALA  44  -7.555  -3.200  -5.713
  314    HB1  ALA  44           HB1      ALA  44  -9.627  -3.302  -4.410
  315    HB2  ALA  44           HB2      ALA  44  -8.562  -2.014  -3.842
  316    HB3  ALA  44           HB3      ALA  44  -8.683  -3.520  -2.937
  317    H    LEU  45           HN       LEU  45  -6.477  -4.824  -2.734
  318    HA   LEU  45           HA       LEU  45  -4.573  -2.871  -1.981
  319    HB2  LEU  45           HB2      LEU  45  -5.604  -4.826  -0.614
  320    HB3  LEU  45           HB1      LEU  45  -4.358  -5.809  -1.332
  321    HG   LEU  45           HG       LEU  45  -3.931  -3.470   0.550
  322   HD11  LEU  45          HD11      LEU  45  -3.593  -6.418   0.951
  323   HD12  LEU  45          HD12      LEU  45  -4.819  -5.370   1.682
  324   HD13  LEU  45          HD13      LEU  45  -3.111  -5.154   2.084
  325   HD21  LEU  45          HD21      LEU  45  -1.866  -5.358  -0.591
  326   HD22  LEU  45          HD22      LEU  45  -1.581  -4.121   0.639
  327   HD23  LEU  45          HD23      LEU  45  -2.039  -3.649  -0.999
  328    H    MET  46           HN       MET  46  -4.289  -5.847  -3.911
  329    HA   MET  46           HA       MET  46  -1.471  -5.738  -4.168
  330    HB2  MET  46           HB2      MET  46  -1.663  -7.449  -5.854
  331    HB3  MET  46           HB1      MET  46  -2.826  -7.793  -4.586
  332    HG2  MET  46           HG2      MET  46  -4.145  -8.173  -6.433
  333    HG3  MET  46           HG1      MET  46  -4.396  -6.440  -6.108
  334    HE1  MET  46           HE1      MET  46  -5.041  -7.986  -8.908
  335    HE2  MET  46           HE2      MET  46  -4.536  -6.742 -10.053
  336    HE3  MET  46           HE3      MET  46  -5.436  -6.295  -8.603
  337    H    GLU  47           HN       GLU  47  -4.057  -4.229  -5.905
  338    HA   GLU  47           HA       GLU  47  -2.547  -3.461  -8.143
  339    HB2  GLU  47           HB2      GLU  47  -5.012  -3.588  -8.116
  340    HB3  GLU  47           HB1      GLU  47  -5.070  -2.281  -6.954
  341    HG2  GLU  47           HG2      GLU  47  -5.665  -1.620  -9.235
  342    HG3  GLU  47           HG1      GLU  47  -4.313  -0.719  -8.577
  343    H    THR  48           HN       THR  48  -3.281  -1.902  -5.026
  344    HA   THR  48           HA       THR  48  -1.883   0.545  -5.352
  345    HB   THR  48           HB       THR  48  -1.973  -1.170  -2.859
  346    HG1  THR  48           HG1      THR  48  -4.077   0.253  -4.109
  347   HG21  THR  48          HG21      THR  48  -1.991   1.819  -3.267
  348   HG22  THR  48          HG22      THR  48  -0.626   0.847  -2.716
  349   HG23  THR  48          HG23      THR  48  -2.067   0.995  -1.708
  350    H    ALA  49           HN       ALA  49  -0.887  -2.597  -4.033
  351    HA   ALA  49           HA       ALA  49   1.754  -1.991  -3.421
  352    HB1  ALA  49           HB1      ALA  49   0.628  -4.039  -2.636
  353    HB2  ALA  49           HB2      ALA  49   2.157  -4.401  -3.435
  354    HB3  ALA  49           HB3      ALA  49   0.641  -4.665  -4.285
  355    H    ALA  50           HN       ALA  50   0.470  -3.577  -6.338
  356    HA   ALA  50           HA       ALA  50   2.856  -3.878  -7.716
  357    HB1  ALA  50           HB1      ALA  50   0.119  -3.434  -8.873
  358    HB2  ALA  50           HB2      ALA  50   0.764  -4.977  -8.318
  359    HB3  ALA  50           HB3      ALA  50   1.498  -4.159  -9.698
  360    H    ARG  51           HN       ARG  51   0.695  -1.145  -7.579
  361    HA   ARG  51           HA       ARG  51   1.849   0.431  -9.598
  362    HB2  ARG  51           HB2      ARG  51   0.248   1.012  -7.139
  363    HB3  ARG  51           HB1      ARG  51   0.790   2.374  -8.057
  364    HG2  ARG  51           HG2      ARG  51  -0.959   0.112  -9.031
  365    HG3  ARG  51           HG1      ARG  51  -1.496   1.735  -8.601
  366    HD2  ARG  51           HD2      ARG  51   0.457   1.130 -10.830
  367    HD3  ARG  51           HD1      ARG  51  -1.278   1.319 -11.052
  368    HE   ARG  51           HE       ARG  51  -0.855   3.608  -9.968
  369   HH11  ARG  51          HH11      ARG  51   1.466   2.030 -12.159
  370   HH12  ARG  51          HH12      ARG  51   2.000   3.523 -12.811
  371   HH21  ARG  51          HH21      ARG  51  -0.143   5.521 -10.856
  372   HH22  ARG  51          HH22      ARG  51   1.129   5.604 -12.005
  373    H    LEU  52           HN       LEU  52   2.450   0.346  -6.119
  374    HA   LEU  52           HA       LEU  52   4.591   2.200  -6.221
  375    HB2  LEU  52           HB2      LEU  52   3.790   0.241  -4.093
  376    HB3  LEU  52           HB1      LEU  52   5.053   1.444  -3.902
  377    HG   LEU  52           HG       LEU  52   2.146   2.052  -4.449
  378   HD11  LEU  52          HD11      LEU  52   2.102   2.886  -2.164
  379   HD12  LEU  52          HD12      LEU  52   3.767   2.352  -1.936
  380   HD13  LEU  52          HD13      LEU  52   2.490   1.166  -2.207
  381   HD21  LEU  52          HD21      LEU  52   2.786   4.368  -3.991
  382   HD22  LEU  52          HD22      LEU  52   3.641   3.724  -5.393
  383   HD23  LEU  52          HD23      LEU  52   4.473   3.873  -3.846
  384    H    GLU  53           HN       GLU  53   4.529  -1.333  -6.082
  385    HA   GLU  53           HA       GLU  53   7.215  -1.884  -5.649
  386    HB2  GLU  53           HB2      GLU  53   5.378  -3.402  -7.476
  387    HB3  GLU  53           HB1      GLU  53   6.877  -3.996  -6.810
  388    HG2  GLU  53           HG2      GLU  53   5.902  -3.984  -4.592
  389    HG3  GLU  53           HG1      GLU  53   4.418  -3.296  -5.259
  390    H    SER  54           HN       SER  54   5.512  -1.749  -8.718
  391    HA   SER  54           HA       SER  54   7.745  -2.291 -10.317
  392    HB2  SER  54           HB2      SER  54   5.198  -0.924 -11.156
  393    HB3  SER  54           HB1      SER  54   6.263  -1.936 -12.142
  394    HG   SER  54           HG       SER  54   4.309  -2.619 -10.365
  395    H    ARG  55           HN       ARG  55   6.290   0.764  -9.264
  396    HA   ARG  55           HA       ARG  55   7.734   2.426 -11.037
  397    HB2  ARG  55           HB2      ARG  55   5.713   3.173  -9.829
  398    HB3  ARG  55           HB1      ARG  55   6.628   3.143  -8.324
  399    HG2  ARG  55           HG2      ARG  55   8.209   4.791  -9.364
  400    HG3  ARG  55           HG1      ARG  55   7.069   4.927 -10.705
  401    HD2  ARG  55           HD2      ARG  55   6.537   5.545  -7.807
  402    HD3  ARG  55           HD1      ARG  55   6.730   6.711  -9.116
  403    HE   ARG  55           HE       ARG  55   4.701   5.256 -10.008
  404   HH11  ARG  55          HH11      ARG  55   5.277   6.665  -6.789
  405   HH12  ARG  55          HH12      ARG  55   3.640   6.951  -6.476
  406   HH21  ARG  55          HH21      ARG  55   2.455   5.612  -9.543
  407   HH22  ARG  55          HH22      ARG  55   1.995   6.321  -8.050
  408    H    TYR  56           HN       TYR  56   8.355   1.361  -7.712
  409    HA   TYR  56           HA       TYR  56  10.769   2.988  -7.705
  410    HB2  TYR  56           HB2      TYR  56   9.489   1.504  -5.401
  411    HB3  TYR  56           HB1      TYR  56  10.874   2.577  -5.291
  412    HD1  TYR  56           HD2      TYR  56  10.536   5.029  -6.040
  413    HD2  TYR  56           HD1      TYR  56   7.316   2.398  -5.188
  414    HE1  TYR  56           HE2      TYR  56   9.065   6.959  -5.688
  415    HE2  TYR  56           HE1      TYR  56   5.833   4.321  -4.829
  416    HH   TYR  56           HH       TYR  56   6.588   7.504  -5.721
  417    H    GLY  57           HN       GLY  57   9.968  -0.181  -8.358
  418    HA2  GLY  57           HA2      GLY  57  11.481  -1.723  -9.213
  419    HA3  GLY  57           HA1      GLY  57  12.793  -0.780  -8.527
  420    H    VAL  58           HN       VAL  58   9.935  -2.297  -7.073
  421    HA   VAL  58           HA       VAL  58  11.716  -4.127  -5.683
  422    HB   VAL  58           HB       VAL  58  10.476  -3.915  -3.527
  423   HG11  VAL  58          HG11      VAL  58  12.581  -2.760  -3.754
  424   HG12  VAL  58          HG12      VAL  58  11.469  -1.821  -2.757
  425   HG13  VAL  58          HG13      VAL  58  11.762  -1.353  -4.431
  426   HG21  VAL  58          HG21      VAL  58   9.205  -1.491  -4.800
  427   HG22  VAL  58          HG22      VAL  58   9.082  -1.931  -3.096
  428   HG23  VAL  58          HG23      VAL  58   8.387  -2.985  -4.330
  429    H    SER  59           HN       SER  59  10.269  -5.769  -4.389
  430    HA   SER  59           HA       SER  59   7.772  -6.315  -5.757
  431    HB2  SER  59           HB2      SER  59   9.639  -7.463  -7.033
  432    HB3  SER  59           HB1      SER  59   9.990  -8.384  -5.575
  433    HG   SER  59           HG       SER  59   7.324  -8.502  -6.348
  434    H    ILE  60           HN       ILE  60   6.302  -6.879  -4.265
  435    HA   ILE  60           HA       ILE  60   7.170  -7.545  -1.571
  436    HB   ILE  60           HB       ILE  60   4.486  -6.741  -2.728
  437   HG12  ILE  60          HG12      ILE  60   6.405  -5.180  -0.984
  438   HG13  ILE  60          HG11      ILE  60   6.164  -4.936  -2.707
  439   HG21  ILE  60          HG21      ILE  60   4.132  -8.171  -0.797
  440   HG22  ILE  60          HG22      ILE  60   3.696  -6.504  -0.414
  441   HG23  ILE  60          HG23      ILE  60   5.223  -7.173   0.166
  442   HD11  ILE  60          HD11      ILE  60   5.002  -3.274  -1.411
  443   HD12  ILE  60          HD12      ILE  60   4.113  -4.532  -0.551
  444   HD13  ILE  60          HD13      ILE  60   3.845  -4.286  -2.279
  445    HA   PRO  61           HA       PRO  61   6.037 -11.894  -2.151
  446    HB2  PRO  61           HB2      PRO  61   5.528 -11.647   0.781
  447    HB3  PRO  61           HB1      PRO  61   6.524 -12.826  -0.087
  448    HG2  PRO  61           HG2      PRO  61   7.666 -10.888   1.303
  449    HG3  PRO  61           HG1      PRO  61   8.317 -11.350  -0.283
  450    HD2  PRO  61           HD2      PRO  61   6.621  -9.000   0.460
  451    HD3  PRO  61           HD1      PRO  61   8.011  -9.085  -0.643
  452    H    ASP  62           HN       ASP  62   4.096 -12.617  -2.721
  453    HA   ASP  62           HA       ASP  62   1.770 -11.078  -2.443
  454    HB2  ASP  62           HB2      ASP  62   0.523 -12.845  -3.546
  455    HB3  ASP  62           HB1      ASP  62   2.082 -12.660  -4.329
  456    H    ASP  63           HN       ASP  63   2.954 -13.691  -0.481
  457    HA   ASP  63           HA       ASP  63   0.508 -13.998   0.989
  458    HB2  ASP  63           HB2      ASP  63   3.330 -14.823   1.704
  459    HB3  ASP  63           HB1      ASP  63   1.927 -15.174   2.702
  460    H    VAL  64           HN       VAL  64   3.359 -12.031   1.284
  461    HA   VAL  64           HA       VAL  64   2.617 -11.175   3.906
  462    HB   VAL  64           HB       VAL  64   4.803 -10.029   2.117
  463   HG11  VAL  64          HG11      VAL  64   4.102  -8.424   3.834
  464   HG12  VAL  64          HG12      VAL  64   5.716  -9.048   4.172
  465   HG13  VAL  64          HG13      VAL  64   4.327  -9.651   5.080
  466   HG21  VAL  64          HG21      VAL  64   5.187 -12.363   2.675
  467   HG22  VAL  64          HG22      VAL  64   4.950 -12.008   4.386
  468   HG23  VAL  64          HG23      VAL  64   6.332 -11.326   3.527
  469    H    ALA  65           HN       ALA  65   2.004 -10.115   0.691
  470    HA   ALA  65           HA       ALA  65   0.968  -7.558   1.315
  471    HB1  ALA  65           HB1      ALA  65  -0.263  -7.693  -0.793
  472    HB2  ALA  65           HB2      ALA  65   0.027  -9.424  -0.885
  473    HB3  ALA  65           HB3      ALA  65   1.378  -8.286  -1.026
  474    H    GLY  66           HN       GLY  66  -0.201 -10.749   1.846
  475    HA2  GLY  66           HA2      GLY  66  -2.830  -9.755   2.658
  476    HA3  GLY  66           HA1      GLY  66  -2.374 -11.445   2.466
  477    H    ARG  67           HN       ARG  67   0.074  -9.860   3.974
  478    HA   ARG  67           HA       ARG  67  -0.848 -10.693   6.625
  479    HB2  ARG  67           HB2      ARG  67   1.926 -10.400   5.472
  480    HB3  ARG  67           HB1      ARG  67   1.635 -10.568   7.201
  481    HG2  ARG  67           HG2      ARG  67   0.669 -12.727   6.897
  482    HG3  ARG  67           HG1      ARG  67   0.682 -12.536   5.145
  483    HD2  ARG  67           HD2      ARG  67   2.489 -13.987   5.904
  484    HD3  ARG  67           HD1      ARG  67   3.107 -12.531   5.139
  485    HE   ARG  67           HE       ARG  67   3.207 -11.793   7.674
  486   HH11  ARG  67          HH11      ARG  67   4.135 -14.886   6.218
  487   HH12  ARG  67          HH12      ARG  67   5.410 -15.169   7.314
  488   HH21  ARG  67          HH21      ARG  67   4.912 -12.211   9.203
  489   HH22  ARG  67          HH22      ARG  67   5.846 -13.647   9.045
  490    H    VAL  68           HN       VAL  68  -0.123  -8.009   4.731
  491    HA   VAL  68           HA       VAL  68   0.246  -6.239   6.970
  492    HB   VAL  68           HB       VAL  68   0.169  -4.412   5.192
  493   HG11  VAL  68          HG11      VAL  68   2.270  -5.338   5.964
  494   HG12  VAL  68          HG12      VAL  68   2.347  -4.966   4.242
  495   HG13  VAL  68          HG13      VAL  68   2.152  -6.636   4.775
  496   HG21  VAL  68          HG21      VAL  68   0.356  -5.072   2.851
  497   HG22  VAL  68          HG22      VAL  68  -1.189  -5.587   3.528
  498   HG23  VAL  68          HG23      VAL  68   0.105  -6.760   3.297
  499    H    ASP  69           HN       ASP  69  -1.370  -5.690   8.151
  500    HA   ASP  69           HA       ASP  69  -4.068  -5.851   7.011
  501    HB2  ASP  69           HB2      ASP  69  -3.128  -5.896   9.849
  502    HB3  ASP  69           HB1      ASP  69  -4.808  -5.575   9.456
  503    H    THR  70           HN       THR  70  -1.852  -3.500   8.043
  504    HA   THR  70           HA       THR  70  -3.948  -1.495   7.639
  505    HB   THR  70           HB       THR  70  -2.579   0.009   9.169
  506    HG1  THR  70           HG1      THR  70  -1.533  -2.442  10.166
  507   HG21  THR  70          HG21      THR  70  -3.891  -2.406  10.427
  508   HG22  THR  70          HG22      THR  70  -4.709  -0.934   9.901
  509   HG23  THR  70          HG23      THR  70  -3.566  -0.875  11.242
  510    HA   PRO  71           HA       PRO  71  -1.345   0.099   4.421
  511    HB2  PRO  71           HB2      PRO  71  -2.232   2.733   5.501
  512    HB3  PRO  71           HB1      PRO  71  -2.258   2.135   3.835
  513    HG2  PRO  71           HG2      PRO  71  -4.508   2.229   5.209
  514    HG3  PRO  71           HG1      PRO  71  -4.149   0.819   4.197
  515    HD2  PRO  71           HD2      PRO  71  -3.941   1.125   7.160
  516    HD3  PRO  71           HD1      PRO  71  -4.528  -0.254   6.205
  517    H    ARG  72           HN       ARG  72  -1.299   1.544   7.638
  518    HA   ARG  72           HA       ARG  72   1.163   2.802   7.723
  519    HB2  ARG  72           HB2      ARG  72  -0.428   2.755   9.614
  520    HB3  ARG  72           HB1      ARG  72  -0.086   1.047   9.857
  521    HG2  ARG  72           HG2      ARG  72   2.301   1.687  10.257
  522    HG3  ARG  72           HG1      ARG  72   1.772   3.367  10.258
  523    HD2  ARG  72           HD2      ARG  72   0.735   1.219  12.096
  524    HD3  ARG  72           HD1      ARG  72   1.990   2.377  12.515
  525    HE   ARG  72           HE       ARG  72  -0.478   3.588  11.655
  526   HH11  ARG  72          HH11      ARG  72   1.302   2.264  14.460
  527   HH12  ARG  72          HH12      ARG  72   0.382   3.142  15.599
  528   HH21  ARG  72          HH21      ARG  72  -1.688   4.750  13.238
  529   HH22  ARG  72          HH22      ARG  72  -1.331   4.603  14.904
  530    H    GLU  73           HN       GLU  73   0.436  -0.574   8.378
  531    HA   GLU  73           HA       GLU  73   3.071  -1.456   8.762
  532    HB2  GLU  73           HB2      GLU  73   1.159  -2.559   9.720
  533    HB3  GLU  73           HB1      GLU  73   0.493  -2.874   8.133
  534    HG2  GLU  73           HG2      GLU  73   2.191  -4.477   7.674
  535    HG3  GLU  73           HG1      GLU  73   3.053  -4.047   9.156
  536    H    LEU  74           HN       LEU  74   0.949  -1.386   5.970
  537    HA   LEU  74           HA       LEU  74   2.630  -2.841   4.198
  538    HB2  LEU  74           HB2      LEU  74   0.186  -2.525   3.874
  539    HB3  LEU  74           HB1      LEU  74   0.441  -0.822   3.613
  540    HG   LEU  74           HG       LEU  74  -0.087  -2.264   1.590
  541   HD11  LEU  74          HD11      LEU  74   2.436  -0.618   1.478
  542   HD12  LEU  74          HD12      LEU  74   0.787  -0.013   1.311
  543   HD13  LEU  74          HD13      LEU  74   1.457  -1.090   0.089
  544   HD21  LEU  74          HD21      LEU  74   1.788  -3.453   0.538
  545   HD22  LEU  74          HD22      LEU  74   1.337  -4.156   2.091
  546   HD23  LEU  74          HD23      LEU  74   2.771  -3.138   1.967
  547    H    LEU  75           HN       LEU  75   2.303   0.579   4.937
  548    HA   LEU  75           HA       LEU  75   4.028   1.699   3.084
  549    HB2  LEU  75           HB2      LEU  75   2.577   2.966   4.621
  550    HB3  LEU  75           HB1      LEU  75   3.581   2.482   5.969
  551    HG   LEU  75           HG       LEU  75   5.464   3.759   4.981
  552   HD11  LEU  75          HD11      LEU  75   5.002   5.336   3.178
  553   HD12  LEU  75          HD12      LEU  75   3.379   4.663   3.013
  554   HD13  LEU  75          HD13      LEU  75   4.788   3.666   2.654
  555   HD21  LEU  75          HD21      LEU  75   4.042   4.765   6.683
  556   HD22  LEU  75          HD22      LEU  75   2.927   5.327   5.437
  557   HD23  LEU  75          HD23      LEU  75   4.567   5.973   5.511
  558    H    ASP  76           HN       ASP  76   4.703   0.464   6.330
  559    HA   ASP  76           HA       ASP  76   7.486   0.922   6.253
  560    HB2  ASP  76           HB2      ASP  76   6.367   0.553   8.381
  561    HB3  ASP  76           HB1      ASP  76   5.962  -1.096   7.915
  562    H    LEU  77           HN       LEU  77   5.544  -1.784   5.240
  563    HA   LEU  77           HA       LEU  77   7.604  -3.662   4.854
  564    HB2  LEU  77           HB2      LEU  77   5.236  -4.264   4.857
  565    HB3  LEU  77           HB1      LEU  77   4.987  -3.363   3.379
  566    HG   LEU  77           HG       LEU  77   6.524  -4.943   2.222
  567   HD11  LEU  77          HD11      LEU  77   6.369  -6.474   4.810
  568   HD12  LEU  77          HD12      LEU  77   7.805  -5.711   4.129
  569   HD13  LEU  77          HD13      LEU  77   7.052  -7.071   3.298
  570   HD21  LEU  77          HD21      LEU  77   4.114  -5.204   2.092
  571   HD22  LEU  77          HD22      LEU  77   4.124  -6.164   3.572
  572   HD23  LEU  77          HD23      LEU  77   4.914  -6.775   2.116
  573    H    ILE  78           HN       ILE  78   6.276  -1.161   2.756
  574    HA   ILE  78           HA       ILE  78   8.030  -1.914   0.627
  575    HB   ILE  78           HB       ILE  78   6.288   0.569   0.881
  576   HG12  ILE  78          HG12      ILE  78   5.913  -2.066  -0.550
  577   HG13  ILE  78          HG11      ILE  78   4.994  -1.479   0.824
  578   HG21  ILE  78          HG21      ILE  78   7.754  -0.537  -1.534
  579   HG22  ILE  78          HG22      ILE  78   8.173   0.941  -0.661
  580   HG23  ILE  78          HG23      ILE  78   6.650   0.840  -1.537
  581   HD11  ILE  78          HD11      ILE  78   3.713  -1.295  -1.209
  582   HD12  ILE  78          HD12      ILE  78   4.976  -0.340  -1.965
  583   HD13  ILE  78          HD13      ILE  78   4.077   0.317  -0.590
  584    H    ASN  79           HN       ASN  79   7.965   0.554   3.119
  585    HA   ASN  79           HA       ASN  79  10.233   1.935   2.225
  586    HB2  ASN  79           HB2      ASN  79   9.016   1.764   4.980
  587    HB3  ASN  79           HB1      ASN  79  10.452   2.734   4.654
  588   HD21  ASN  79          HD21      ASN  79   7.885   3.738   5.530
  589   HD22  ASN  79          HD22      ASN  79   7.319   4.753   4.252
  590    H    GLY  80           HN       GLY  80   9.986  -0.901   4.241
  591    HA2  GLY  80           HA2      GLY  80  12.720  -1.085   4.902
  592    HA3  GLY  80           HA1      GLY  80  11.594  -2.438   4.826
  593    H    ALA  81           HN       ALA  81  10.867  -2.054   2.105
  594    HA   ALA  81           HA       ALA  81  12.986  -3.473   0.834
  595    HB1  ALA  81           HB1      ALA  81  10.429  -2.354  -0.333
  596    HB2  ALA  81           HB2      ALA  81  10.630  -3.968   0.341
  597    HB3  ALA  81           HB3      ALA  81  11.505  -3.507  -1.120
  598    H    LEU  82           HN       LEU  82  11.674  -0.222   0.660
  599    HA   LEU  82           HA       LEU  82  13.108   0.713  -1.544
  600    HB2  LEU  82           HB2      LEU  82  11.996   2.237   0.792
  601    HB3  LEU  82           HB1      LEU  82  12.670   2.988  -0.637
  602    HG   LEU  82           HG       LEU  82  10.232   1.225  -0.537
  603   HD11  LEU  82          HD11      LEU  82   9.049   3.264  -1.140
  604   HD12  LEU  82          HD12      LEU  82  10.561   4.169  -1.043
  605   HD13  LEU  82          HD13      LEU  82   9.879   3.428   0.405
  606   HD21  LEU  82          HD21      LEU  82  11.501   2.666  -2.863
  607   HD22  LEU  82          HD22      LEU  82   9.959   1.809  -2.899
  608   HD23  LEU  82          HD23      LEU  82  11.458   0.921  -2.624
  609    H    ALA  83           HN       ALA  83  14.072   0.511   1.802
  610    HA   ALA  83           HA       ALA  83  16.371   2.149   1.641
  611    HB1  ALA  83           HB1      ALA  83  17.132   0.968   3.652
  612    HB2  ALA  83           HB2      ALA  83  15.901  -0.269   3.394
  613    HB3  ALA  83           HB3      ALA  83  15.422   1.383   3.778
  614    H    GLU  84           HN       GLU  84  15.673  -0.980   0.467
  615    HA   GLU  84           HA       GLU  84  18.476  -1.506  -0.197
  616    HB2  GLU  84           HB2      GLU  84  16.132  -3.379   0.119
  617    HB3  GLU  84           HB1      GLU  84  17.765  -3.855  -0.318
  618    HG2  GLU  84           HG2      GLU  84  18.580  -3.084   1.847
  619    HG3  GLU  84           HG1      GLU  84  16.949  -2.573   2.280
  620    H    ALA  85           HN       ALA  85  16.201   0.083  -1.546
  621    HA   ALA  85           HA       ALA  85  16.001  -1.396  -4.076
  622    HB1  ALA  85           HB1      ALA  85  14.124   0.080  -4.599
  623    HB2  ALA  85           HB2      ALA  85  14.406   0.981  -3.110
  624    HB3  ALA  85           HB3      ALA  85  13.875  -0.698  -3.037
  625    H    ALA  86           HN       ALA  86  15.468   0.823  -5.741
  626    HA   ALA  86           HA       ALA  86  18.031   2.227  -5.663
  627    HB1  ALA  86           HB1      ALA  86  17.997   0.513  -7.409
  628    HB2  ALA  86           HB2      ALA  86  18.026   2.133  -8.106
  629    HB3  ALA  86           HB3      ALA  86  16.520   1.215  -8.070
  630   H281  PSR  87          H28A      PSR  87  -6.468 -11.430  -6.221
  631   H282  PSR  87          H28B      PSR  87  -5.847 -10.467  -4.878
  632   H301  PSR  87          H30A      PSR  87  -4.284 -10.450  -7.175
  633   H302  PSR  87          H30B      PSR  87  -2.736 -11.010  -6.526
  634   H303  PSR  87          H30C      PSR  87  -3.754  -9.922  -5.577
  635   H311  PSR  87          H31A      PSR  87  -2.665 -12.595  -4.630
  636   H312  PSR  87          H31B      PSR  87  -4.175 -13.094  -3.867
  637   H313  PSR  87          H31C      PSR  87  -3.622 -11.427  -3.715
  638   H321  PSR  87          H32A      PSR  87  -3.418 -13.484  -6.828
  639   H331  PSR  87          H33A      PSR  87  -5.613 -13.398  -8.127
  640   H361  PSR  87          H36A      PSR  87  -4.141 -14.661  -4.700
  641   H371  PSR  87          H37A      PSR  87  -6.512 -16.281  -5.294
  642   H372  PSR  87          H37B      PSR  87  -5.033 -16.960  -4.589
  643   H381  PSR  87          H38A      PSR  87  -6.754 -14.828  -3.290
  644   H382  PSR  87          H38B      PSR  87  -6.983 -16.533  -3.056
  645   H411  PSR  87          H41A      PSR  87  -6.376 -14.563  -1.160
  646   H421  PSR  87          H42A      PSR  87  -5.135 -15.548   0.873
  647   H422  PSR  87          H42B      PSR  87  -3.712 -15.216  -0.131
  648   H431  PSR  87          H43A      PSR  87  -4.088 -13.395   1.423
  649   H432  PSR  87          H43B      PSR  87  -5.712 -13.153   0.733
  650   HC21  PSR  87          H2A       PSR  87  -2.691 -10.473  -1.493
  651   HC22  PSR  87          H2B       PSR  87  -2.374  -9.746   0.080
  652   HC31  PSR  87          H3A       PSR  87  -4.230  -8.234  -0.199
  653   HC32  PSR  87          H3B       PSR  87  -4.650  -8.998  -1.746
  654   HC41  PSR  87          H4C       PSR  87  -3.351  -6.955  -2.068
  655   HC42  PSR  87          H4A       PSR  87  -2.451  -8.368  -2.612
  656   HC43  PSR  87          H4B       PSR  87  -2.058  -7.619  -1.067
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  18.206  11.848   5.429
    2    H2   MET   1           HT2      MET   1  19.043  10.414   5.083
    3    H3   MET   1           HT3      MET   1  17.358  10.403   5.315
    4    HA   MET   1           HA       MET   1  16.917  11.652   3.452
    5    HB2  MET   1           HB2      MET   1  18.657  12.311   1.834
    6    HB3  MET   1           HB1      MET   1  18.933  13.064   3.392
    7    HG2  MET   1           HG2      MET   1  20.710  11.467   3.865
    8    HG3  MET   1           HG1      MET   1  20.406  10.654   2.333
    9    HE1  MET   1           HE1      MET   1  22.924  10.845   1.611
   10    HE2  MET   1           HE2      MET   1  23.298  11.609   3.156
   11    HE3  MET   1           HE3      MET   1  23.850  12.345   1.652
   12    H    ALA   2           HN       ALA   2  15.858  10.193   2.417
   13    HA   ALA   2           HA       ALA   2  17.135   8.221   0.804
   14    HB1  ALA   2           HB1      ALA   2  16.118   6.266   1.885
   15    HB2  ALA   2           HB2      ALA   2  15.519   7.292   3.188
   16    HB3  ALA   2           HB3      ALA   2  17.255   7.067   2.970
   17    H    THR   3           HN       THR   3  15.682   7.448  -0.733
   18    HA   THR   3           HA       THR   3  13.206   8.886  -0.877
   19    HB   THR   3           HB       THR   3  14.428   8.580  -2.963
   20    HG1  THR   3           HG1      THR   3  12.390   8.623  -3.506
   21   HG21  THR   3          HG21      THR   3  15.657   6.525  -2.488
   22   HG22  THR   3          HG22      THR   3  14.788   6.377  -4.017
   23   HG23  THR   3          HG23      THR   3  14.163   5.592  -2.565
   24    H    LEU   4           HN       LEU   4  11.630   8.295   0.343
   25    HA   LEU   4           HA       LEU   4  10.980   5.458   0.761
   26    HB2  LEU   4           HB2      LEU   4  11.049   7.594   2.902
   27    HB3  LEU   4           HB1      LEU   4  10.442   5.970   3.119
   28    HG   LEU   4           HG       LEU   4  13.319   6.692   2.536
   29   HD11  LEU   4          HD11      LEU   4  11.978   5.784   5.074
   30   HD12  LEU   4          HD12      LEU   4  12.618   7.396   4.752
   31   HD13  LEU   4          HD13      LEU   4  13.713   6.016   4.851
   32   HD21  LEU   4          HD21      LEU   4  12.046   4.048   3.239
   33   HD22  LEU   4          HD22      LEU   4  13.776   4.350   3.059
   34   HD23  LEU   4          HD23      LEU   4  12.706   4.492   1.665
   35    H    LEU   5           HN       LEU   5   8.740   5.221   1.598
   36    HA   LEU   5           HA       LEU   5   6.907   6.820   0.074
   37    HB2  LEU   5           HB2      LEU   5   6.588   4.566   2.024
   38    HB3  LEU   5           HB1      LEU   5   5.231   5.411   1.338
   39    HG   LEU   5           HG       LEU   5   7.242   3.937  -0.360
   40   HD11  LEU   5          HD11      LEU   5   6.171   2.433   1.288
   41   HD12  LEU   5          HD12      LEU   5   5.584   2.131  -0.349
   42   HD13  LEU   5          HD13      LEU   5   4.594   3.046   0.791
   43   HD21  LEU   5          HD21      LEU   5   4.405   4.859  -0.793
   44   HD22  LEU   5          HD22      LEU   5   5.407   3.988  -1.955
   45   HD23  LEU   5          HD23      LEU   5   5.846   5.623  -1.462
   46    H    THR   6           HN       THR   6   5.794   8.501   0.825
   47    HA   THR   6           HA       THR   6   5.613   8.845   3.714
   48    HB   THR   6           HB       THR   6   4.515  11.044   3.122
   49    HG1  THR   6           HG1      THR   6   5.307  10.312   0.469
   50   HG21  THR   6          HG21      THR   6   6.904  10.979   3.645
   51   HG22  THR   6          HG22      THR   6   6.572  12.187   2.405
   52   HG23  THR   6          HG23      THR   6   7.271  10.633   1.956
   53    H    THR   7           HN       THR   7   3.271   9.549   4.394
   54    HA   THR   7           HA       THR   7   1.436   7.559   3.836
   55    HB   THR   7           HB       THR   7   0.706  10.412   4.552
   56    HG1  THR   7           HG1      THR   7   0.975   9.492   6.784
   57   HG21  THR   7          HG21      THR   7  -1.169   8.888   4.100
   58   HG22  THR   7          HG22      THR   7  -1.111   9.281   5.818
   59   HG23  THR   7          HG23      THR   7  -0.517   7.722   5.245
   60    H    ASP   8           HN       ASP   8   1.814  10.797   2.474
   61    HA   ASP   8           HA       ASP   8  -0.318  10.848   0.702
   62    HB2  ASP   8           HB2      ASP   8   0.777  12.871   1.123
   63    HB3  ASP   8           HB1      ASP   8   2.342  12.224   0.643
   64    H    ASP   9           HN       ASP   9   2.873   9.401   0.184
   65    HA   ASP   9           HA       ASP   9   2.543   9.042  -2.628
   66    HB2  ASP   9           HB2      ASP   9   4.278   7.455  -0.719
   67    HB3  ASP   9           HB1      ASP   9   4.307   7.278  -2.467
   68    H    LEU  10           HN       LEU  10   1.851   7.038   0.158
   69    HA   LEU  10           HA       LEU  10   0.754   4.852  -1.251
   70    HB2  LEU  10           HB2      LEU  10   0.130   5.961   1.481
   71    HB3  LEU  10           HB1      LEU  10  -0.452   4.438   0.869
   72    HG   LEU  10           HG       LEU  10   2.436   5.106   1.425
   73   HD11  LEU  10          HD11      LEU  10   1.050   4.968   3.442
   74   HD12  LEU  10          HD12      LEU  10   2.143   3.591   3.319
   75   HD13  LEU  10          HD13      LEU  10   0.438   3.400   2.913
   76   HD21  LEU  10          HD21      LEU  10   2.784   2.708   1.099
   77   HD22  LEU  10          HD22      LEU  10   2.148   3.461  -0.364
   78   HD23  LEU  10          HD23      LEU  10   1.082   2.517   0.673
   79    H    ARG  11           HN       ARG  11  -0.540   7.667   0.318
   80    HA   ARG  11           HA       ARG  11  -3.217   7.257   0.185
   81    HB2  ARG  11           HB2      ARG  11  -1.843   8.971   1.456
   82    HB3  ARG  11           HB1      ARG  11  -1.891   9.956   0.014
   83    HG2  ARG  11           HG2      ARG  11  -4.391   9.016   1.325
   84    HG3  ARG  11           HG1      ARG  11  -3.539  10.401   1.979
   85    HD2  ARG  11           HD2      ARG  11  -4.781  10.022  -0.759
   86    HD3  ARG  11           HD1      ARG  11  -5.241  11.204   0.466
   87    HE   ARG  11           HE       ARG  11  -2.725  11.906  -0.002
   88   HH11  ARG  11          HH11      ARG  11  -5.562  11.577  -2.043
   89   HH12  ARG  11          HH12      ARG  11  -4.873  12.261  -3.431
   90   HH21  ARG  11          HH21      ARG  11  -1.710  12.936  -1.896
   91   HH22  ARG  11          HH22      ARG  11  -2.634  13.117  -3.334
   92    H    ARG  12           HN       ARG  12  -1.344   9.059  -2.231
   93    HA   ARG  12           HA       ARG  12  -3.544   9.543  -3.900
   94    HB2  ARG  12           HB2      ARG  12  -1.876   9.972  -5.700
   95    HB3  ARG  12           HB1      ARG  12  -1.560  10.838  -4.211
   96    HG2  ARG  12           HG2      ARG  12   0.123   9.043  -3.656
   97    HG3  ARG  12           HG1      ARG  12  -0.096   8.451  -5.306
   98    HD2  ARG  12           HD2      ARG  12   1.827   9.957  -5.151
   99    HD3  ARG  12           HD1      ARG  12   0.564  10.637  -6.181
  100    HE   ARG  12           HE       ARG  12   0.752  11.412  -3.357
  101   HH11  ARG  12          HH11      ARG  12   1.117  12.395  -6.747
  102   HH12  ARG  12          HH12      ARG  12   0.892  14.053  -6.409
  103   HH21  ARG  12          HH21      ARG  12   0.493  13.614  -2.933
  104   HH22  ARG  12          HH22      ARG  12   0.541  14.806  -4.144
  105    H    ALA  13           HN       ALA  13  -1.336   6.794  -3.850
  106    HA   ALA  13           HA       ALA  13  -2.407   5.524  -6.163
  107    HB1  ALA  13           HB1      ALA  13  -0.144   5.045  -5.331
  108    HB2  ALA  13           HB2      ALA  13  -1.115   3.575  -5.456
  109    HB3  ALA  13           HB3      ALA  13  -0.837   4.318  -3.881
  110    H    LEU  14           HN       LEU  14  -3.000   5.250  -2.716
  111    HA   LEU  14           HA       LEU  14  -4.761   3.051  -2.705
  112    HB2  LEU  14           HB2      LEU  14  -4.229   5.309  -0.836
  113    HB3  LEU  14           HB1      LEU  14  -5.714   4.425  -0.621
  114    HG   LEU  14           HG       LEU  14  -4.007   3.661   0.914
  115   HD11  LEU  14          HD11      LEU  14  -4.628   1.613  -1.169
  116   HD12  LEU  14          HD12      LEU  14  -5.616   2.053   0.226
  117   HD13  LEU  14          HD13      LEU  14  -4.043   1.284   0.459
  118   HD21  LEU  14          HD21      LEU  14  -2.006   4.145  -0.351
  119   HD22  LEU  14          HD22      LEU  14  -2.409   2.871  -1.504
  120   HD23  LEU  14          HD23      LEU  14  -2.024   2.461   0.169
  121    H    VAL  15           HN       VAL  15  -5.403   6.518  -3.037
  122    HA   VAL  15           HA       VAL  15  -8.195   6.376  -3.061
  123    HB   VAL  15           HB       VAL  15  -6.380   8.352  -4.504
  124   HG11  VAL  15          HG11      VAL  15  -8.342   9.831  -4.620
  125   HG12  VAL  15          HG12      VAL  15  -9.347   8.552  -3.937
  126   HG13  VAL  15          HG13      VAL  15  -8.611   8.343  -5.526
  127   HG21  VAL  15          HG21      VAL  15  -6.923   9.831  -2.631
  128   HG22  VAL  15          HG22      VAL  15  -6.132   8.355  -2.081
  129   HG23  VAL  15          HG23      VAL  15  -7.874   8.544  -1.892
  130    H    GLU  16           HN       GLU  16  -5.912   6.183  -5.742
  131    HA   GLU  16           HA       GLU  16  -7.861   6.029  -7.752
  132    HB2  GLU  16           HB2      GLU  16  -4.962   5.252  -7.803
  133    HB3  GLU  16           HB1      GLU  16  -5.982   5.315  -9.233
  134    HG2  GLU  16           HG2      GLU  16  -6.411   7.707  -8.768
  135    HG3  GLU  16           HG1      GLU  16  -5.285   7.609  -7.416
  136    H    SER  17           HN       SER  17  -6.115   3.339  -6.092
  137    HA   SER  17           HA       SER  17  -7.439   1.439  -7.777
  138    HB2  SER  17           HB2      SER  17  -6.259  -0.264  -6.179
  139    HB3  SER  17           HB1      SER  17  -5.257   0.828  -7.110
  140    HG   SER  17           HG       SER  17  -5.954   1.105  -4.366
  141    H    ALA  18           HN       ALA  18  -8.446   3.193  -5.174
  142    HA   ALA  18           HA       ALA  18 -10.292   1.143  -4.186
  143    HB1  ALA  18           HB1      ALA  18  -9.851   3.929  -3.176
  144    HB2  ALA  18           HB2      ALA  18  -9.000   2.515  -2.588
  145    HB3  ALA  18           HB3      ALA  18 -10.754   2.642  -2.375
  146    H    GLY  19           HN       GLY  19 -10.317   4.487  -5.350
  147    HA2  GLY  19           HA2      GLY  19 -13.183   4.604  -5.340
  148    HA3  GLY  19           HA1      GLY  19 -12.074   5.880  -5.794
  149    H    GLU  20           HN       GLU  20 -11.727   2.848  -7.298
  150    HA   GLU  20           HA       GLU  20 -12.435   3.938  -9.834
  151    HB2  GLU  20           HB2      GLU  20 -10.601   2.322  -9.682
  152    HB3  GLU  20           HB1      GLU  20 -11.688   1.116  -9.009
  153    HG2  GLU  20           HG2      GLU  20 -11.092   0.826 -11.428
  154    HG3  GLU  20           HG1      GLU  20 -12.818   0.848 -11.067
  155    H    THR  21           HN       THR  21 -14.404   4.251 -10.348
  156    HA   THR  21           HA       THR  21 -16.555   4.027 -10.763
  157    HB   THR  21           HB       THR  21 -16.284   1.090  -9.983
  158    HG1  THR  21           HG1      THR  21 -14.871   2.052 -11.747
  159   HG21  THR  21          HG21      THR  21 -18.231   0.780 -11.463
  160   HG22  THR  21          HG22      THR  21 -18.255   2.524 -11.784
  161   HG23  THR  21          HG23      THR  21 -18.595   1.924 -10.161
  162    H    ASP  22           HN       ASP  22 -15.844   5.163  -8.512
  163    HA   ASP  22           HA       ASP  22 -18.228   5.342  -7.112
  164    HB2  ASP  22           HB2      ASP  22 -17.603   3.187  -6.040
  165    HB3  ASP  22           HB1      ASP  22 -16.098   3.892  -5.474
  166    H    GLY  23           HN       GLY  23 -15.040   5.444  -5.655
  167    HA2  GLY  23           HA2      GLY  23 -13.591   7.232  -5.375
  168    HA3  GLY  23           HA1      GLY  23 -14.722   8.250  -6.254
  169    H    THR  24           HN       THR  24 -13.264   8.668  -3.775
  170    HA   THR  24           HA       THR  24 -13.547   9.846  -1.878
  171    HB   THR  24           HB       THR  24 -16.532   9.949  -2.502
  172    HG1  THR  24           HG1      THR  24 -15.226  10.788  -4.219
  173   HG21  THR  24          HG21      THR  24 -16.474  12.010  -1.145
  174   HG22  THR  24          HG22      THR  24 -14.750  11.778  -0.858
  175   HG23  THR  24          HG23      THR  24 -15.915  10.628  -0.203
  176    H    ASP  25           HN       ASP  25 -12.925   7.830  -1.098
  177    HA   ASP  25           HA       ASP  25 -14.876   6.669   0.708
  178    HB2  ASP  25           HB2      ASP  25 -14.020   4.340   0.161
  179    HB3  ASP  25           HB1      ASP  25 -15.002   5.108  -1.078
  180    H    LEU  26           HN       LEU  26 -11.518   5.634   0.022
  181    HA   LEU  26           HA       LEU  26 -10.888   6.194   2.816
  182    HB2  LEU  26           HB2      LEU  26  -8.741   5.027   2.322
  183    HB3  LEU  26           HB1      LEU  26 -10.159   4.047   2.039
  184    HG   LEU  26           HG       LEU  26  -9.873   4.534  -0.434
  185   HD11  LEU  26          HD11      LEU  26  -7.675   5.209  -1.226
  186   HD12  LEU  26          HD12      LEU  26  -7.177   5.540   0.433
  187   HD13  LEU  26          HD13      LEU  26  -8.459   6.498  -0.310
  188   HD21  LEU  26          HD21      LEU  26  -9.240   2.423   0.508
  189   HD22  LEU  26          HD22      LEU  26  -7.678   3.079   1.001
  190   HD23  LEU  26          HD23      LEU  26  -8.065   2.914  -0.710
  191    H    SER  27           HN       SER  27 -11.028   7.883   0.194
  192    HA   SER  27           HA       SER  27  -8.666   9.181  -0.304
  193    HB2  SER  27           HB2      SER  27 -10.378  11.037  -1.002
  194    HB3  SER  27           HB1      SER  27 -10.313   9.498  -1.871
  195    HG   SER  27           HG       SER  27 -12.147  10.254   0.181
  196    H    GLY  28           HN       GLY  28  -7.463  10.077   1.151
  197    HA2  GLY  28           HA2      GLY  28  -7.274  12.275   2.319
  198    HA3  GLY  28           HA1      GLY  28  -8.693  11.740   3.226
  199    H    ASP  29           HN       ASP  29  -8.399   9.425   4.125
  200    HA   ASP  29           HA       ASP  29  -5.720   8.865   4.973
  201    HB2  ASP  29           HB2      ASP  29  -6.206  10.499   6.656
  202    HB3  ASP  29           HB1      ASP  29  -7.787   9.790   6.974
  203    H    PHE  30           HN       PHE  30  -5.414   6.936   5.638
  204    HA   PHE  30           HA       PHE  30  -7.501   4.937   6.163
  205    HB2  PHE  30           HB2      PHE  30  -6.320   3.430   4.473
  206    HB3  PHE  30           HB1      PHE  30  -7.382   4.568   3.702
  207    HD1  PHE  30           HD1      PHE  30  -3.925   3.579   4.369
  208    HD2  PHE  30           HD2      PHE  30  -6.391   6.466   2.467
  209    HE1  PHE  30           HE1      PHE  30  -1.970   4.446   3.170
  210    HE2  PHE  30           HE2      PHE  30  -4.432   7.314   1.267
  211    HZ   PHE  30           HZ       PHE  30  -2.231   6.300   1.627
  212    H    LEU  31           HN       LEU  31  -4.573   6.361   6.849
  213    HA   LEU  31           HA       LEU  31  -2.627   4.409   6.573
  214    HB2  LEU  31           HB2      LEU  31  -2.168   6.795   6.774
  215    HB3  LEU  31           HB1      LEU  31  -2.681   6.756   8.450
  216    HG   LEU  31           HG       LEU  31  -0.815   5.150   8.910
  217   HD11  LEU  31          HD11      LEU  31  -0.474   4.297   6.671
  218   HD12  LEU  31          HD12      LEU  31   1.016   4.998   7.298
  219   HD13  LEU  31          HD13      LEU  31   0.050   5.889   6.122
  220   HD21  LEU  31          HD21      LEU  31   0.941   6.860   8.904
  221   HD22  LEU  31          HD22      LEU  31  -0.602   7.519   9.446
  222   HD23  LEU  31          HD23      LEU  31  -0.030   7.848   7.811
  223    H    ASP  32           HN       ASP  32  -4.746   5.077   9.268
  224    HA   ASP  32           HA       ASP  32  -3.198   3.177  10.870
  225    HB2  ASP  32           HB2      ASP  32  -3.487   5.569  11.625
  226    HB3  ASP  32           HB1      ASP  32  -5.187   5.194  11.869
  227    H    LEU  33           HN       LEU  33  -6.117   3.588   9.231
  228    HA   LEU  33           HA       LEU  33  -7.634   1.638  10.773
  229    HB2  LEU  33           HB2      LEU  33  -8.168   2.907   8.071
  230    HB3  LEU  33           HB1      LEU  33  -9.285   1.876   8.936
  231    HG   LEU  33           HG       LEU  33  -8.352   4.587   9.879
  232   HD11  LEU  33          HD11      LEU  33 -10.965   3.728   8.642
  233   HD12  LEU  33          HD12      LEU  33  -9.742   4.746   7.885
  234   HD13  LEU  33          HD13      LEU  33 -10.615   5.324   9.303
  235   HD21  LEU  33          HD21      LEU  33 -10.149   4.365  11.524
  236   HD22  LEU  33          HD22      LEU  33  -8.948   3.086  11.710
  237   HD23  LEU  33          HD23      LEU  33 -10.493   2.738  10.934
  238    H    ARG  34           HN       ARG  34  -8.394  -0.402   9.546
  239    HA   ARG  34           HA       ARG  34  -6.090  -1.469   8.184
  240    HB2  ARG  34           HB2      ARG  34  -8.648  -2.680   9.103
  241    HB3  ARG  34           HB1      ARG  34  -7.601  -3.515   7.974
  242    HG2  ARG  34           HG2      ARG  34  -5.774  -3.219   9.699
  243    HG3  ARG  34           HG1      ARG  34  -7.081  -2.775  10.817
  244    HD2  ARG  34           HD2      ARG  34  -8.238  -4.846  10.326
  245    HD3  ARG  34           HD1      ARG  34  -6.982  -5.213   9.129
  246    HE   ARG  34           HE       ARG  34  -5.479  -5.094  11.193
  247   HH11  ARG  34          HH11      ARG  34  -8.786  -6.217  11.345
  248   HH12  ARG  34          HH12      ARG  34  -8.499  -7.653  12.200
  249   HH21  ARG  34          HH21      ARG  34  -4.964  -7.031  12.335
  250   HH22  ARG  34          HH22      ARG  34  -6.185  -8.146  12.818
  251    H    PHE  35           HN       PHE  35  -6.320  -2.693   6.221
  252    HA   PHE  35           HA       PHE  35  -7.430  -1.273   4.080
  253    HB2  PHE  35           HB2      PHE  35  -6.847  -4.245   4.216
  254    HB3  PHE  35           HB1      PHE  35  -7.002  -3.303   2.741
  255    HD1  PHE  35           HD2      PHE  35  -5.238  -1.593   2.223
  256    HD2  PHE  35           HD1      PHE  35  -4.902  -4.406   5.381
  257    HE1  PHE  35           HE2      PHE  35  -2.800  -1.232   2.284
  258    HE2  PHE  35           HE1      PHE  35  -2.523  -4.075   5.472
  259    HZ   PHE  35           HZ       PHE  35  -1.425  -2.478   3.910
  260    H    GLU  36           HN       GLU  36  -8.564  -3.913   6.044
  261    HA   GLU  36           HA       GLU  36 -10.948  -4.623   4.840
  262    HB2  GLU  36           HB2      GLU  36 -10.346  -4.443   7.789
  263    HB3  GLU  36           HB1      GLU  36 -11.671  -5.348   7.075
  264    HG2  GLU  36           HG2      GLU  36  -8.739  -5.861   6.621
  265    HG3  GLU  36           HG1      GLU  36  -9.799  -6.785   7.681
  266    H    ASP  37           HN       ASP  37 -10.232  -1.769   6.788
  267    HA   ASP  37           HA       ASP  37 -13.019  -1.044   7.079
  268    HB2  ASP  37           HB2      ASP  37 -10.511   0.513   7.745
  269    HB3  ASP  37           HB1      ASP  37 -12.147   0.975   8.176
  270    H    ILE  38           HN       ILE  38 -10.437  -0.560   4.906
  271    HA   ILE  38           HA       ILE  38 -11.765   1.774   3.764
  272    HB   ILE  38           HB       ILE  38  -9.725   2.238   2.496
  273   HG12  ILE  38          HG12      ILE  38  -8.536  -0.139   3.962
  274   HG13  ILE  38          HG11      ILE  38  -8.861  -0.154   2.245
  275   HG21  ILE  38          HG21      ILE  38 -10.007   3.213   4.687
  276   HG22  ILE  38          HG22      ILE  38  -8.301   2.847   4.410
  277   HG23  ILE  38          HG23      ILE  38  -9.276   1.796   5.440
  278   HD11  ILE  38          HD11      ILE  38  -6.523   0.183   2.655
  279   HD12  ILE  38          HD12      ILE  38  -6.858   1.561   3.703
  280   HD13  ILE  38          HD13      ILE  38  -7.198   1.664   1.975
  281    H    GLY  39           HN       GLY  39 -12.434  -1.113   3.480
  282    HA2  GLY  39           HA2      GLY  39 -13.569  -2.321   1.913
  283    HA3  GLY  39           HA1      GLY  39 -13.521  -0.896   0.891
  284    H    TYR  40           HN       TYR  40 -10.689  -2.611   2.077
  285    HA   TYR  40           HA       TYR  40 -10.074  -3.111  -0.691
  286    HB2  TYR  40           HB2      TYR  40  -8.374  -2.583   1.687
  287    HB3  TYR  40           HB1      TYR  40  -7.726  -3.718   0.547
  288    HD1  TYR  40           HD2      TYR  40  -9.930  -0.928  -0.391
  289    HD2  TYR  40           HD1      TYR  40  -5.959  -2.392  -0.243
  290    HE1  TYR  40           HE2      TYR  40  -9.240   0.842  -1.907
  291    HE2  TYR  40           HE1      TYR  40  -5.245  -0.618  -1.778
  292    HH   TYR  40           HH       TYR  40  -7.176   2.060  -2.580
  293    H    ASP  41           HN       ASP  41 -10.410  -4.885  -1.586
  294    HA   ASP  41           HA       ASP  41 -11.232  -7.159  -0.040
  295    HB2  ASP  41           HB2      ASP  41 -11.980  -8.063  -2.220
  296    HB3  ASP  41           HB1      ASP  41 -12.616  -6.458  -1.928
  297    H    SER  42           HN       SER  42  -9.014  -6.578  -2.663
  298    HA   SER  42           HA       SER  42  -6.802  -8.060  -1.791
  299    HB2  SER  42           HB2      SER  42  -7.080 -10.063  -3.265
  300    HB3  SER  42           HB1      SER  42  -8.287 -10.022  -1.976
  301    H    LEU  43           HN       LEU  43  -8.836  -7.715  -4.601
  302    HA   LEU  43           HA       LEU  43  -6.970  -7.275  -6.614
  303    HB2  LEU  43           HB2      LEU  43  -9.403  -7.782  -6.885
  304    HB3  LEU  43           HB1      LEU  43  -9.779  -6.158  -6.376
  305    HG   LEU  43           HG       LEU  43  -8.260  -6.816  -8.923
  306   HD11  LEU  43          HD11      LEU  43 -10.377  -6.405 -10.071
  307   HD12  LEU  43          HD12      LEU  43 -11.186  -6.235  -8.511
  308   HD13  LEU  43          HD13      LEU  43 -10.487  -7.785  -8.979
  309   HD21  LEU  43          HD21      LEU  43  -8.888  -4.540  -9.600
  310   HD22  LEU  43          HD22      LEU  43  -7.938  -4.494  -8.119
  311   HD23  LEU  43          HD23      LEU  43  -9.687  -4.288  -8.050
  312    H    ALA  44           HN       ALA  44  -8.766  -4.978  -4.631
  313    HA   ALA  44           HA       ALA  44  -7.647  -2.667  -5.726
  314    HB1  ALA  44           HB1      ALA  44  -8.739  -3.056  -2.946
  315    HB2  ALA  44           HB2      ALA  44  -9.689  -2.686  -4.387
  316    HB3  ALA  44           HB3      ALA  44  -8.520  -1.515  -3.777
  317    H    LEU  45           HN       LEU  45  -6.633  -4.566  -2.897
  318    HA   LEU  45           HA       LEU  45  -4.620  -2.739  -2.086
  319    HB2  LEU  45           HB2      LEU  45  -5.692  -4.503  -0.608
  320    HB3  LEU  45           HB1      LEU  45  -4.722  -5.701  -1.426
  321    HG   LEU  45           HG       LEU  45  -3.540  -3.417   0.201
  322   HD11  LEU  45          HD11      LEU  45  -4.861  -4.862   1.639
  323   HD12  LEU  45          HD12      LEU  45  -3.123  -5.006   1.919
  324   HD13  LEU  45          HD13      LEU  45  -3.976  -6.273   1.025
  325   HD21  LEU  45          HD21      LEU  45  -1.535  -4.778   0.242
  326   HD22  LEU  45          HD22      LEU  45  -2.012  -4.383  -1.420
  327   HD23  LEU  45          HD23      LEU  45  -2.338  -5.992  -0.765
  328    H    MET  46           HN       MET  46  -4.529  -5.641  -4.062
  329    HA   MET  46           HA       MET  46  -1.704  -5.629  -4.337
  330    HB2  MET  46           HB2      MET  46  -1.983  -7.375  -5.945
  331    HB3  MET  46           HB1      MET  46  -3.199  -7.624  -4.704
  332    HG2  MET  46           HG2      MET  46  -4.520  -7.933  -6.542
  333    HG3  MET  46           HG1      MET  46  -4.613  -6.172  -6.336
  334    HE1  MET  46           HE1      MET  46  -1.704  -8.100  -9.363
  335    HE2  MET  46           HE2      MET  46  -2.739  -9.052  -8.301
  336    HE3  MET  46           HE3      MET  46  -1.440  -8.073  -7.619
  337    H    GLU  47           HN       GLU  47  -4.320  -4.090  -6.075
  338    HA   GLU  47           HA       GLU  47  -2.908  -3.273  -8.363
  339    HB2  GLU  47           HB2      GLU  47  -5.408  -3.281  -8.037
  340    HB3  GLU  47           HB1      GLU  47  -5.229  -1.902  -6.973
  341    HG2  GLU  47           HG2      GLU  47  -5.976  -1.207  -9.152
  342    HG3  GLU  47           HG1      GLU  47  -4.358  -0.585  -8.834
  343    H    THR  48           HN       THR  48  -3.418  -1.856  -5.164
  344    HA   THR  48           HA       THR  48  -1.985   0.525  -5.467
  345    HB   THR  48           HB       THR  48  -2.129  -1.238  -3.011
  346    HG1  THR  48           HG1      THR  48  -4.084   0.386  -4.248
  347   HG21  THR  48          HG21      THR  48  -1.981   0.895  -1.809
  348   HG22  THR  48          HG22      THR  48  -1.847   1.746  -3.348
  349   HG23  THR  48          HG23      THR  48  -0.578   0.631  -2.842
  350    H    ALA  49           HN       ALA  49  -0.990  -2.607  -4.081
  351    HA   ALA  49           HA       ALA  49   1.649  -2.012  -3.485
  352    HB1  ALA  49           HB1      ALA  49   0.541  -4.701  -4.207
  353    HB2  ALA  49           HB2      ALA  49   0.501  -3.972  -2.590
  354    HB3  ALA  49           HB3      ALA  49   2.050  -4.371  -3.366
  355    H    ALA  50           HN       ALA  50   0.460  -3.749  -6.373
  356    HA   ALA  50           HA       ALA  50   2.946  -4.267  -7.512
  357    HB1  ALA  50           HB1      ALA  50   1.750  -4.604  -9.614
  358    HB2  ALA  50           HB2      ALA  50   0.340  -3.773  -8.955
  359    HB3  ALA  50           HB3      ALA  50   0.857  -5.311  -8.267
  360    H    ARG  51           HN       ARG  51   0.908  -1.463  -7.748
  361    HA   ARG  51           HA       ARG  51   2.317  -0.080  -9.767
  362    HB2  ARG  51           HB2      ARG  51   0.011   0.403  -8.997
  363    HB3  ARG  51           HB1      ARG  51   0.674   1.015  -7.494
  364    HG2  ARG  51           HG2      ARG  51   1.809   2.786  -8.712
  365    HG3  ARG  51           HG1      ARG  51   1.154   2.154 -10.230
  366    HD2  ARG  51           HD2      ARG  51  -1.118   2.438  -9.296
  367    HD3  ARG  51           HD1      ARG  51  -0.402   3.211  -7.887
  368    HE   ARG  51           HE       ARG  51   0.409   4.415 -10.333
  369   HH11  ARG  51          HH11      ARG  51  -2.260   4.329  -7.976
  370   HH12  ARG  51          HH12      ARG  51  -2.760   5.926  -8.425
  371   HH21  ARG  51          HH21      ARG  51  -0.397   6.542 -10.866
  372   HH22  ARG  51          HH22      ARG  51  -1.771   7.117 -10.000
  373    H    LEU  52           HN       LEU  52   2.443   0.004  -6.233
  374    HA   LEU  52           HA       LEU  52   4.446   1.989  -6.027
  375    HB2  LEU  52           HB2      LEU  52   3.675  -0.163  -4.061
  376    HB3  LEU  52           HB1      LEU  52   4.680   1.223  -3.698
  377    HG   LEU  52           HG       LEU  52   1.775   1.325  -4.502
  378   HD11  LEU  52          HD11      LEU  52   1.402   2.049  -2.210
  379   HD12  LEU  52          HD12      LEU  52   3.118   1.823  -1.866
  380   HD13  LEU  52          HD13      LEU  52   2.108   0.430  -2.268
  381   HD21  LEU  52          HD21      LEU  52   3.000   3.289  -5.271
  382   HD22  LEU  52          HD22      LEU  52   3.653   3.526  -3.649
  383   HD23  LEU  52          HD23      LEU  52   1.922   3.700  -3.937
  384    H    GLU  53           HN       GLU  53   4.572  -1.554  -6.034
  385    HA   GLU  53           HA       GLU  53   7.299  -1.947  -5.650
  386    HB2  GLU  53           HB2      GLU  53   5.484  -3.488  -7.504
  387    HB3  GLU  53           HB1      GLU  53   7.053  -4.021  -6.933
  388    HG2  GLU  53           HG2      GLU  53   6.133  -3.989  -4.617
  389    HG3  GLU  53           HG1      GLU  53   4.566  -3.613  -5.322
  390    H    SER  54           HN       SER  54   5.474  -1.376  -8.535
  391    HA   SER  54           HA       SER  54   7.603  -1.502 -10.383
  392    HB2  SER  54           HB2      SER  54   4.998   0.014 -10.615
  393    HB3  SER  54           HB1      SER  54   6.066  -0.406 -11.957
  394    HG   SER  54           HG       SER  54   4.670  -2.185 -10.229
  395    H    ARG  55           HN       ARG  55   6.192   1.269  -8.669
  396    HA   ARG  55           HA       ARG  55   7.685   3.270  -9.955
  397    HB2  ARG  55           HB2      ARG  55   5.683   3.845  -8.693
  398    HB3  ARG  55           HB1      ARG  55   6.428   3.299  -7.194
  399    HG2  ARG  55           HG2      ARG  55   8.133   5.074  -7.439
  400    HG3  ARG  55           HG1      ARG  55   7.291   5.647  -8.872
  401    HD2  ARG  55           HD2      ARG  55   5.336   6.204  -7.533
  402    HD3  ARG  55           HD1      ARG  55   6.102   5.522  -6.092
  403    HE   ARG  55           HE       ARG  55   7.743   7.479  -7.295
  404   HH11  ARG  55          HH11      ARG  55   4.850   7.316  -5.174
  405   HH12  ARG  55          HH12      ARG  55   5.234   8.786  -4.398
  406   HH21  ARG  55          HH21      ARG  55   8.146   9.471  -6.281
  407   HH22  ARG  55          HH22      ARG  55   7.087  10.087  -5.093
  408    H    TYR  56           HN       TYR  56   8.412   1.397  -7.061
  409    HA   TYR  56           HA       TYR  56  10.828   3.000  -6.675
  410    HB2  TYR  56           HB2      TYR  56   9.413   1.103  -4.841
  411    HB3  TYR  56           HB1      TYR  56  10.966   1.840  -4.465
  412    HD1  TYR  56           HD2      TYR  56  11.123   4.250  -4.071
  413    HD2  TYR  56           HD1      TYR  56   7.373   2.377  -4.750
  414    HE1  TYR  56           HE2      TYR  56   9.988   6.235  -3.183
  415    HE2  TYR  56           HE1      TYR  56   6.224   4.341  -3.859
  416    HH   TYR  56           HH       TYR  56   6.670   6.233  -2.420
  417    H    GLY  57           HN       GLY  57   9.976  -0.127  -7.807
  418    HA2  GLY  57           HA2      GLY  57  11.419  -1.652  -8.792
  419    HA3  GLY  57           HA1      GLY  57  12.785  -0.744  -8.155
  420    H    VAL  58           HN       VAL  58  10.002  -2.138  -6.486
  421    HA   VAL  58           HA       VAL  58  11.881  -3.751  -4.921
  422    HB   VAL  58           HB       VAL  58  10.321  -3.720  -3.007
  423   HG11  VAL  58          HG11      VAL  58  10.652  -1.414  -2.301
  424   HG12  VAL  58          HG12      VAL  58  11.052  -0.974  -3.959
  425   HG13  VAL  58          HG13      VAL  58  12.098  -2.081  -3.066
  426   HG21  VAL  58          HG21      VAL  58   8.718  -1.750  -4.634
  427   HG22  VAL  58          HG22      VAL  58   8.437  -2.148  -2.942
  428   HG23  VAL  58          HG23      VAL  58   8.217  -3.379  -4.187
  429    H    SER  59           HN       SER  59  10.542  -5.604  -3.711
  430    HA   SER  59           HA       SER  59   8.616  -6.784  -5.512
  431    HB2  SER  59           HB2      SER  59  11.175  -8.162  -4.664
  432    HB3  SER  59           HB1      SER  59   9.833  -8.939  -5.512
  433    HG   SER  59           HG       SER  59  10.374  -6.776  -6.834
  434    H    ILE  60           HN       ILE  60   6.987  -6.865  -4.170
  435    HA   ILE  60           HA       ILE  60   7.328  -7.647  -1.374
  436    HB   ILE  60           HB       ILE  60   4.868  -6.705  -2.880
  437   HG12  ILE  60          HG12      ILE  60   6.658  -5.135  -1.003
  438   HG13  ILE  60          HG11      ILE  60   6.620  -4.965  -2.755
  439   HG21  ILE  60          HG21      ILE  60   3.884  -6.349  -0.654
  440   HG22  ILE  60          HG22      ILE  60   5.329  -7.037   0.088
  441   HG23  ILE  60          HG23      ILE  60   4.299  -8.042  -0.929
  442   HD11  ILE  60          HD11      ILE  60   4.344  -4.398  -0.876
  443   HD12  ILE  60          HD12      ILE  60   4.309  -4.211  -2.632
  444   HD13  ILE  60          HD13      ILE  60   5.378  -3.200  -1.653
  445    HA   PRO  61           HA       PRO  61   6.163 -11.829  -2.622
  446    HB2  PRO  61           HB2      PRO  61   5.573 -11.944   0.304
  447    HB3  PRO  61           HB1      PRO  61   6.527 -13.060  -0.691
  448    HG2  PRO  61           HG2      PRO  61   7.742 -11.384   0.950
  449    HG3  PRO  61           HG1      PRO  61   8.395 -11.663  -0.676
  450    HD2  PRO  61           HD2      PRO  61   6.804  -9.348   0.355
  451    HD3  PRO  61           HD1      PRO  61   8.205  -9.354  -0.736
  452    H    ASP  62           HN       ASP  62   4.240 -12.391  -3.334
  453    HA   ASP  62           HA       ASP  62   1.965 -10.820  -3.063
  454    HB2  ASP  62           HB2      ASP  62   0.678 -12.589  -4.198
  455    HB3  ASP  62           HB1      ASP  62   2.219 -12.302  -4.986
  456    H    ASP  63           HN       ASP  63   2.870 -13.604  -1.145
  457    HA   ASP  63           HA       ASP  63   0.300 -13.751   0.122
  458    HB2  ASP  63           HB2      ASP  63   1.140 -15.453   1.518
  459    HB3  ASP  63           HB1      ASP  63   2.015 -15.667   0.012
  460    H    VAL  64           HN       VAL  64   3.117 -11.868   0.597
  461    HA   VAL  64           HA       VAL  64   2.516 -11.280   3.333
  462    HB   VAL  64           HB       VAL  64   4.622 -10.037   1.508
  463   HG11  VAL  64          HG11      VAL  64   3.999  -8.475   3.295
  464   HG12  VAL  64          HG12      VAL  64   5.625  -9.117   3.544
  465   HG13  VAL  64          HG13      VAL  64   4.275  -9.738   4.494
  466   HG21  VAL  64          HG21      VAL  64   6.197 -11.368   2.818
  467   HG22  VAL  64          HG22      VAL  64   5.010 -12.383   1.998
  468   HG23  VAL  64          HG23      VAL  64   4.853 -12.062   3.725
  469    H    ALA  65           HN       ALA  65   1.685 -10.012   0.259
  470    HA   ALA  65           HA       ALA  65   0.777  -7.483   1.134
  471    HB1  ALA  65           HB1      ALA  65  -0.312  -9.120  -1.173
  472    HB2  ALA  65           HB2      ALA  65   1.052  -7.993  -1.256
  473    HB3  ALA  65           HB3      ALA  65  -0.563  -7.398  -0.889
  474    H    GLY  66           HN       GLY  66  -0.383 -10.607   1.747
  475    HA2  GLY  66           HA2      GLY  66  -2.955  -9.535   2.691
  476    HA3  GLY  66           HA1      GLY  66  -2.607 -11.239   2.412
  477    H    ARG  67           HN       ARG  67   0.053  -9.982   3.757
  478    HA   ARG  67           HA       ARG  67  -0.610 -11.033   6.399
  479    HB2  ARG  67           HB2      ARG  67   1.307 -12.021   5.333
  480    HB3  ARG  67           HB1      ARG  67   2.032 -10.470   4.985
  481    HG2  ARG  67           HG2      ARG  67   2.326 -10.129   7.427
  482    HG3  ARG  67           HG1      ARG  67   1.667 -11.746   7.695
  483    HD2  ARG  67           HD2      ARG  67   3.459 -12.730   6.419
  484    HD3  ARG  67           HD1      ARG  67   4.079 -11.138   5.999
  485    HE   ARG  67           HE       ARG  67   4.061 -11.192   8.727
  486   HH11  ARG  67          HH11      ARG  67   5.459 -13.342   6.273
  487   HH12  ARG  67          HH12      ARG  67   6.894 -13.623   7.136
  488   HH21  ARG  67          HH21      ARG  67   6.102 -11.601   9.935
  489   HH22  ARG  67          HH22      ARG  67   7.275 -12.605   9.193
  490    H    VAL  68           HN       VAL  68  -0.197  -8.178   4.696
  491    HA   VAL  68           HA       VAL  68   0.674  -6.558   6.873
  492    HB   VAL  68           HB       VAL  68   0.133  -4.620   5.311
  493   HG11  VAL  68          HG11      VAL  68   2.348  -5.602   5.391
  494   HG12  VAL  68          HG12      VAL  68   1.934  -5.097   3.753
  495   HG13  VAL  68          HG13      VAL  68   1.867  -6.804   4.193
  496   HG21  VAL  68          HG21      VAL  68  -0.520  -6.848   3.384
  497   HG22  VAL  68          HG22      VAL  68  -0.375  -5.134   2.982
  498   HG23  VAL  68          HG23      VAL  68  -1.669  -5.684   4.043
  499    H    ASP  69           HN       ASP  69  -0.481  -5.427   8.219
  500    HA   ASP  69           HA       ASP  69  -3.252  -6.248   8.601
  501    HB2  ASP  69           HB2      ASP  69  -1.439  -6.258  10.392
  502    HB3  ASP  69           HB1      ASP  69  -1.538  -4.507  10.381
  503    H    THR  70           HN       THR  70  -1.489  -3.190   8.894
  504    HA   THR  70           HA       THR  70  -3.859  -1.752   7.986
  505    HB   THR  70           HB       THR  70  -2.647   0.156   9.172
  506    HG1  THR  70           HG1      THR  70  -1.304  -1.595  10.803
  507   HG21  THR  70          HG21      THR  70  -3.482  -2.226  10.843
  508   HG22  THR  70          HG22      THR  70  -4.579  -1.002  10.195
  509   HG23  THR  70          HG23      THR  70  -3.386  -0.562  11.420
  510    HA   PRO  71           HA       PRO  71  -1.430  -0.258   4.482
  511    HB2  PRO  71           HB2      PRO  71  -2.164   2.468   5.467
  512    HB3  PRO  71           HB1      PRO  71  -2.278   1.797   3.831
  513    HG2  PRO  71           HG2      PRO  71  -4.468   2.012   5.280
  514    HG3  PRO  71           HG1      PRO  71  -4.170   0.532   4.345
  515    HD2  PRO  71           HD2      PRO  71  -3.830   1.028   7.271
  516    HD3  PRO  71           HD1      PRO  71  -4.501  -0.390   6.437
  517    H    ARG  72           HN       ARG  72  -1.097   1.388   7.602
  518    HA   ARG  72           HA       ARG  72   1.447   2.483   7.311
  519    HB2  ARG  72           HB2      ARG  72  -0.092   2.779   9.290
  520    HB3  ARG  72           HB1      ARG  72   0.435   1.193   9.847
  521    HG2  ARG  72           HG2      ARG  72   2.768   2.032   9.835
  522    HG3  ARG  72           HG1      ARG  72   2.136   3.638   9.470
  523    HD2  ARG  72           HD2      ARG  72   1.593   1.976  11.918
  524    HD3  ARG  72           HD1      ARG  72   2.579   3.430  11.823
  525    HE   ARG  72           HE       ARG  72  -0.338   3.353  11.443
  526   HH11  ARG  72          HH11      ARG  72   2.523   5.296  12.111
  527   HH12  ARG  72          HH12      ARG  72   1.780   6.355  13.206
  528   HH21  ARG  72          HH21      ARG  72  -1.433   4.785  13.003
  529   HH22  ARG  72          HH22      ARG  72  -0.577   6.084  13.685
  530    H    GLU  73           HN       GLU  73   0.496  -0.815   8.104
  531    HA   GLU  73           HA       GLU  73   3.013  -1.933   8.746
  532    HB2  GLU  73           HB2      GLU  73   0.721  -2.965   9.099
  533    HB3  GLU  73           HB1      GLU  73   0.663  -3.276   7.376
  534    HG2  GLU  73           HG2      GLU  73   1.307  -5.305   8.238
  535    HG3  GLU  73           HG1      GLU  73   2.851  -4.582   7.787
  536    H    LEU  74           HN       LEU  74   1.167  -1.641   5.788
  537    HA   LEU  74           HA       LEU  74   2.945  -2.977   4.031
  538    HB2  LEU  74           HB2      LEU  74   0.460  -2.657   3.744
  539    HB3  LEU  74           HB1      LEU  74   0.740  -0.969   3.442
  540    HG   LEU  74           HG       LEU  74   0.176  -2.411   1.464
  541   HD11  LEU  74          HD11      LEU  74   1.798  -1.363  -0.059
  542   HD12  LEU  74          HD12      LEU  74   2.796  -0.917   1.326
  543   HD13  LEU  74          HD13      LEU  74   1.188  -0.219   1.137
  544   HD21  LEU  74          HD21      LEU  74   2.977  -3.443   1.872
  545   HD22  LEU  74          HD22      LEU  74   1.980  -3.729   0.444
  546   HD23  LEU  74          HD23      LEU  74   1.481  -4.367   2.009
  547    H    LEU  75           HN       LEU  75   2.441   0.387   4.906
  548    HA   LEU  75           HA       LEU  75   4.205   1.782   3.289
  549    HB2  LEU  75           HB2      LEU  75   2.693   2.867   4.837
  550    HB3  LEU  75           HB1      LEU  75   3.492   2.131   6.203
  551    HG   LEU  75           HG       LEU  75   5.513   3.515   5.672
  552   HD11  LEU  75          HD11      LEU  75   5.234   5.454   4.237
  553   HD12  LEU  75          HD12      LEU  75   3.637   4.873   3.762
  554   HD13  LEU  75          HD13      LEU  75   5.076   3.946   3.337
  555   HD21  LEU  75          HD21      LEU  75   3.949   4.159   7.416
  556   HD22  LEU  75          HD22      LEU  75   2.953   5.001   6.227
  557   HD23  LEU  75          HD23      LEU  75   4.580   5.579   6.583
  558    H    ASP  76           HN       ASP  76   4.835   0.433   6.497
  559    HA   ASP  76           HA       ASP  76   7.609   0.918   6.548
  560    HB2  ASP  76           HB2      ASP  76   6.447   0.492   8.613
  561    HB3  ASP  76           HB1      ASP  76   5.950  -1.103   8.062
  562    H    LEU  77           HN       LEU  77   5.752  -1.792   5.386
  563    HA   LEU  77           HA       LEU  77   7.810  -3.672   5.087
  564    HB2  LEU  77           HB2      LEU  77   5.461  -4.278   4.993
  565    HB3  LEU  77           HB1      LEU  77   5.244  -3.325   3.542
  566    HG   LEU  77           HG       LEU  77   6.788  -4.871   2.356
  567   HD11  LEU  77          HD11      LEU  77   6.592  -6.499   4.878
  568   HD12  LEU  77          HD12      LEU  77   8.038  -5.711   4.250
  569   HD13  LEU  77          HD13      LEU  77   7.297  -7.036   3.351
  570   HD21  LEU  77          HD21      LEU  77   4.380  -5.118   2.180
  571   HD22  LEU  77          HD22      LEU  77   4.366  -6.126   3.627
  572   HD23  LEU  77          HD23      LEU  77   5.172  -6.693   2.163
  573    H    ILE  78           HN       ILE  78   6.558  -1.202   2.885
  574    HA   ILE  78           HA       ILE  78   8.385  -2.001   0.835
  575    HB   ILE  78           HB       ILE  78   6.655   0.491   0.991
  576   HG12  ILE  78          HG12      ILE  78   6.270  -2.149  -0.442
  577   HG13  ILE  78          HG11      ILE  78   5.340  -1.554   0.926
  578   HG21  ILE  78          HG21      ILE  78   8.584   0.819  -0.498
  579   HG22  ILE  78          HG22      ILE  78   7.089   0.727  -1.421
  580   HG23  ILE  78          HG23      ILE  78   8.177  -0.661  -1.367
  581   HD11  ILE  78          HD11      ILE  78   5.402  -0.351  -1.831
  582   HD12  ILE  78          HD12      ILE  78   4.446   0.242  -0.469
  583   HD13  ILE  78          HD13      ILE  78   4.120  -1.349  -1.159
  584    H    ASN  79           HN       ASN  79   8.213   0.558   3.257
  585    HA   ASN  79           HA       ASN  79  10.440   1.998   2.342
  586    HB2  ASN  79           HB2      ASN  79   9.218   1.847   5.086
  587    HB3  ASN  79           HB1      ASN  79  10.625   2.847   4.745
  588   HD21  ASN  79          HD21      ASN  79   8.098   3.751   5.613
  589   HD22  ASN  79          HD22      ASN  79   7.447   4.774   4.378
  590    H    GLY  80           HN       GLY  80  10.293  -0.763   4.462
  591    HA2  GLY  80           HA2      GLY  80  13.105  -0.724   5.057
  592    HA3  GLY  80           HA1      GLY  80  12.018  -2.102   5.281
  593    H    ALA  81           HN       ALA  81  11.122  -2.112   2.553
  594    HA   ALA  81           HA       ALA  81  13.145  -3.765   1.422
  595    HB1  ALA  81           HB1      ALA  81  10.757  -4.225   1.117
  596    HB2  ALA  81           HB2      ALA  81  11.577  -4.037  -0.432
  597    HB3  ALA  81           HB3      ALA  81  10.583  -2.728   0.206
  598    H    LEU  82           HN       LEU  82  12.222  -0.458   1.116
  599    HA   LEU  82           HA       LEU  82  13.344   0.197  -1.355
  600    HB2  LEU  82           HB2      LEU  82  12.925   1.918   1.078
  601    HB3  LEU  82           HB1      LEU  82  13.401   2.538  -0.492
  602    HG   LEU  82           HG       LEU  82  10.822   1.114   0.137
  603   HD11  LEU  82          HD11      LEU  82  10.880   3.361   1.027
  604   HD12  LEU  82          HD12      LEU  82   9.780   3.251  -0.348
  605   HD13  LEU  82          HD13      LEU  82  11.371   3.986  -0.546
  606   HD21  LEU  82          HD21      LEU  82  11.808   2.327  -2.419
  607   HD22  LEU  82          HD22      LEU  82  10.195   1.676  -2.134
  608   HD23  LEU  82          HD23      LEU  82  11.599   0.609  -2.090
  609    H    ALA  83           HN       ALA  83  14.860  -0.491   1.606
  610    HA   ALA  83           HA       ALA  83  17.297   0.844   1.242
  611    HB1  ALA  83           HB1      ALA  83  16.789  -1.798   2.614
  612    HB2  ALA  83           HB2      ALA  83  16.578  -0.220   3.355
  613    HB3  ALA  83           HB3      ALA  83  18.190  -0.752   2.858
  614    H    GLU  84           HN       GLU  84  15.914  -1.922  -0.294
  615    HA   GLU  84           HA       GLU  84  18.487  -2.596  -1.559
  616    HB2  GLU  84           HB2      GLU  84  16.015  -4.302  -1.262
  617    HB3  GLU  84           HB1      GLU  84  17.561  -4.805  -1.932
  618    HG2  GLU  84           HG2      GLU  84  18.614  -4.517   0.231
  619    HG3  GLU  84           HG1      GLU  84  17.090  -3.947   0.910
  620    H    ALA  85           HN       ALA  85  16.119  -0.643  -2.162
  621    HA   ALA  85           HA       ALA  85  15.184  -1.679  -4.728
  622    HB1  ALA  85           HB1      ALA  85  13.555  -0.692  -3.186
  623    HB2  ALA  85           HB2      ALA  85  13.646   0.212  -4.695
  624    HB3  ALA  85           HB3      ALA  85  14.433   0.836  -3.244
  625    H    ALA  86           HN       ALA  86  14.816   0.646  -6.156
  626    HA   ALA  86           HA       ALA  86  17.486   1.198  -7.054
  627    HB1  ALA  86           HB1      ALA  86  16.342   2.464  -8.821
  628    HB2  ALA  86           HB2      ALA  86  14.803   2.228  -7.988
  629    HB3  ALA  86           HB3      ALA  86  15.669   0.842  -8.655
  630   H281  PSR  87          H28A      PSR  87  -7.686 -10.797  -6.814
  631   H282  PSR  87          H28B      PSR  87  -6.996  -9.842  -5.511
  632   H301  PSR  87          H30A      PSR  87  -4.923  -9.660  -6.614
  633   H302  PSR  87          H30B      PSR  87  -5.605 -10.531  -7.992
  634   H303  PSR  87          H30C      PSR  87  -4.070 -11.052  -7.276
  635   H311  PSR  87          H31A      PSR  87  -4.855 -10.556  -4.427
  636   H312  PSR  87          H31B      PSR  87  -4.050 -12.033  -4.965
  637   H313  PSR  87          H31C      PSR  87  -5.565 -12.134  -4.072
  638   H321  PSR  87          H32A      PSR  87  -4.957 -13.316  -7.089
  639   H331  PSR  87          H33A      PSR  87  -7.585 -13.331  -7.541
  640   H361  PSR  87          H36A      PSR  87  -4.812 -14.251  -4.933
  641   H371  PSR  87          H37A      PSR  87  -6.877 -15.166  -3.273
  642   H372  PSR  87          H37B      PSR  87  -6.596 -16.387  -4.494
  643   H381  PSR  87          H38A      PSR  87  -5.314 -16.932  -2.543
  644   H382  PSR  87          H38B      PSR  87  -4.237 -16.555  -3.889
  645   H411  PSR  87          H41A      PSR  87  -5.725 -13.883  -2.330
  646   H421  PSR  87          H42A      PSR  87  -3.242 -13.180  -0.930
  647   H422  PSR  87          H42B      PSR  87  -4.386 -12.055  -1.647
  648   H431  PSR  87          H43A      PSR  87  -4.884 -13.756   0.791
  649   H432  PSR  87          H43B      PSR  87  -6.081 -12.738  -0.027
  650   HC21  PSR  87          H2A       PSR  87  -3.574  -8.992   0.625
  651   HC22  PSR  87          H2B       PSR  87  -5.125  -8.175   0.462
  652   HC31  PSR  87          H3A       PSR  87  -3.596  -7.494  -1.315
  653   HC32  PSR  87          H3B       PSR  87  -4.973  -8.383  -1.985
  654   HC41  PSR  87          H4C       PSR  87  -3.604 -10.407  -2.085
  655   HC42  PSR  87          H4A       PSR  87  -2.238  -9.518  -1.410
  656   HC43  PSR  87          H4B       PSR  87  -2.866  -9.093  -3.004
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  18.908   8.921  -1.392
    2    H2   MET   1           HT2      MET   1  20.362   9.142  -0.535
    3    H3   MET   1           HT3      MET   1  18.996   8.525   0.242
    4    HA   MET   1           HA       MET   1  20.348   7.210  -2.041
    5    HB2  MET   1           HB2      MET   1  21.744   7.071  -0.007
    6    HB3  MET   1           HB1      MET   1  20.370   6.439   0.894
    7    HG2  MET   1           HG2      MET   1  20.311   4.491  -0.638
    8    HG3  MET   1           HG1      MET   1  21.764   5.101  -1.420
    9    HE1  MET   1           HE1      MET   1  21.594   3.664   2.971
   10    HE2  MET   1           HE2      MET   1  20.210   3.633   1.879
   11    HE3  MET   1           HE3      MET   1  20.866   5.176   2.427
   12    H    ALA   2           HN       ALA   2  18.052   6.837   0.663
   13    HA   ALA   2           HA       ALA   2  16.677   4.809  -0.903
   14    HB1  ALA   2           HB1      ALA   2  17.278   4.207   1.389
   15    HB2  ALA   2           HB2      ALA   2  15.526   4.295   1.199
   16    HB3  ALA   2           HB3      ALA   2  16.394   5.608   1.996
   17    H    THR   3           HN       THR   3  15.297   5.805  -2.275
   18    HA   THR   3           HA       THR   3  13.932   8.189  -1.577
   19    HB   THR   3           HB       THR   3  12.735   7.047  -3.784
   20    HG1  THR   3           HG1      THR   3  14.006   5.408  -4.247
   21   HG21  THR   3          HG21      THR   3  13.637   9.341  -3.608
   22   HG22  THR   3          HG22      THR   3  14.202   8.548  -5.078
   23   HG23  THR   3          HG23      THR   3  15.276   8.698  -3.690
   24    H    LEU   4           HN       LEU   4  12.390   8.041  -0.095
   25    HA   LEU   4           HA       LEU   4  11.006   5.498   0.305
   26    HB2  LEU   4           HB2      LEU   4  11.212   7.898   2.107
   27    HB3  LEU   4           HB1      LEU   4  10.367   6.412   2.487
   28    HG   LEU   4           HG       LEU   4  13.343   6.726   2.091
   29   HD11  LEU   4          HD11      LEU   4  12.540   7.628   4.200
   30   HD12  LEU   4          HD12      LEU   4  13.461   6.139   4.454
   31   HD13  LEU   4          HD13      LEU   4  11.702   6.110   4.533
   32   HD21  LEU   4          HD21      LEU   4  11.729   4.275   2.786
   33   HD22  LEU   4          HD22      LEU   4  13.491   4.380   2.770
   34   HD23  LEU   4          HD23      LEU   4  12.583   4.560   1.269
   35    H    LEU   5           HN       LEU   5   8.846   6.024   1.499
   36    HA   LEU   5           HA       LEU   5   7.222   7.805  -0.170
   37    HB2  LEU   5           HB2      LEU   5   6.545   5.009   0.772
   38    HB3  LEU   5           HB1      LEU   5   5.385   6.118   0.080
   39    HG   LEU   5           HG       LEU   5   7.776   4.987  -1.373
   40   HD11  LEU   5          HD11      LEU   5   6.119   3.662  -2.590
   41   HD12  LEU   5          HD12      LEU   5   4.842   4.303  -1.557
   42   HD13  LEU   5          HD13      LEU   5   6.105   3.280  -0.869
   43   HD21  LEU   5          HD21      LEU   5   7.112   7.176  -2.187
   44   HD22  LEU   5          HD22      LEU   5   5.438   6.631  -2.292
   45   HD23  LEU   5          HD23      LEU   5   6.663   5.924  -3.355
   46    H    THR   6           HN       THR   6   5.972   9.096   1.036
   47    HA   THR   6           HA       THR   6   6.050   8.665   3.910
   48    HB   THR   6           HB       THR   6   5.310  11.020   4.048
   49    HG1  THR   6           HG1      THR   6   5.487  10.956   1.167
   50   HG21  THR   6          HG21      THR   6   7.663  10.610   2.186
   51   HG22  THR   6          HG22      THR   6   7.717  10.526   3.947
   52   HG23  THR   6          HG23      THR   6   7.350  12.054   3.150
   53    H    THR   7           HN       THR   7   3.808   9.717   4.927
   54    HA   THR   7           HA       THR   7   1.757   7.958   4.398
   55    HB   THR   7           HB       THR   7   1.276  10.774   5.384
   56    HG1  THR   7           HG1      THR   7   2.381   8.579   6.897
   57   HG21  THR   7          HG21      THR   7   0.160   8.061   6.163
   58   HG22  THR   7          HG22      THR   7  -0.647   9.241   5.146
   59   HG23  THR   7          HG23      THR   7  -0.338   9.612   6.843
   60    H    ASP   8           HN       ASP   8   2.299  11.252   3.213
   61    HA   ASP   8           HA       ASP   8   0.003  11.521   1.631
   62    HB2  ASP   8           HB2      ASP   8   2.671  12.845   1.565
   63    HB3  ASP   8           HB1      ASP   8   1.547  13.109   0.240
   64    H    ASP   9           HN       ASP   9   3.082  10.104   0.818
   65    HA   ASP   9           HA       ASP   9   2.543   9.778  -1.972
   66    HB2  ASP   9           HB2      ASP   9   4.389   8.200  -0.172
   67    HB3  ASP   9           HB1      ASP   9   4.288   7.996  -1.913
   68    H    LEU  10           HN       LEU  10   2.218   7.744   0.822
   69    HA   LEU  10           HA       LEU  10   1.201   5.454  -0.452
   70    HB2  LEU  10           HB2      LEU  10   2.189   5.577   1.801
   71    HB3  LEU  10           HB1      LEU  10   0.801   6.478   2.352
   72    HG   LEU  10           HG       LEU  10  -0.572   4.429   1.680
   73   HD11  LEU  10          HD11      LEU  10   1.084   3.354   0.284
   74   HD12  LEU  10          HD12      LEU  10   0.635   2.303   1.629
   75   HD13  LEU  10          HD13      LEU  10   2.166   3.177   1.666
   76   HD21  LEU  10          HD21      LEU  10  -0.140   5.030   3.994
   77   HD22  LEU  10          HD22      LEU  10   1.422   4.214   3.930
   78   HD23  LEU  10          HD23      LEU  10  -0.069   3.280   3.786
   79    H    ARG  11           HN       ARG  11  -0.236   8.342   0.944
   80    HA   ARG  11           HA       ARG  11  -2.912   7.740   1.015
   81    HB2  ARG  11           HB2      ARG  11  -1.866   9.881   1.826
   82    HB3  ARG  11           HB1      ARG  11  -1.847  10.433   0.155
   83    HG2  ARG  11           HG2      ARG  11  -4.374   9.947   0.166
   84    HG3  ARG  11           HG1      ARG  11  -4.164   9.846   1.925
   85    HD2  ARG  11           HD2      ARG  11  -3.405  12.251   0.258
   86    HD3  ARG  11           HD1      ARG  11  -4.940  12.081   1.096
   87    HE   ARG  11           HE       ARG  11  -2.956  11.669   2.960
   88   HH11  ARG  11          HH11      ARG  11  -4.023  14.359   0.849
   89   HH12  ARG  11          HH12      ARG  11  -3.521  15.578   1.934
   90   HH21  ARG  11          HH21      ARG  11  -2.343  13.396   4.455
   91   HH22  ARG  11          HH22      ARG  11  -2.612  15.030   4.066
   92    H    ARG  12           HN       ARG  12  -1.206   9.293  -1.708
   93    HA   ARG  12           HA       ARG  12  -3.492   9.204  -3.327
   94    HB2  ARG  12           HB2      ARG  12  -2.148   9.733  -5.270
   95    HB3  ARG  12           HB1      ARG  12  -1.628  10.713  -3.918
   96    HG2  ARG  12           HG2      ARG  12   0.375   9.460  -3.682
   97    HG3  ARG  12           HG1      ARG  12  -0.202   8.212  -4.791
   98    HD2  ARG  12           HD2      ARG  12   0.389  11.090  -5.508
   99    HD3  ARG  12           HD1      ARG  12   1.403   9.702  -5.897
  100    HE   ARG  12           HE       ARG  12  -1.108   9.140  -6.923
  101   HH11  ARG  12          HH11      ARG  12   1.472  11.537  -7.591
  102   HH12  ARG  12          HH12      ARG  12   0.908  11.858  -9.158
  103   HH21  ARG  12          HH21      ARG  12  -1.824   9.591  -9.062
  104   HH22  ARG  12          HH22      ARG  12  -0.998  10.702 -10.048
  105    H    ALA  13           HN       ALA  13  -0.968   6.835  -2.845
  106    HA   ALA  13           HA       ALA  13  -1.633   5.204  -5.046
  107    HB1  ALA  13           HB1      ALA  13  -0.368   3.445  -3.902
  108    HB2  ALA  13           HB2      ALA  13  -0.384   4.393  -2.416
  109    HB3  ALA  13           HB3      ALA  13   0.490   4.986  -3.828
  110    H    LEU  14           HN       LEU  14  -2.578   5.036  -1.637
  111    HA   LEU  14           HA       LEU  14  -4.337   2.837  -1.879
  112    HB2  LEU  14           HB2      LEU  14  -3.862   4.948   0.156
  113    HB3  LEU  14           HB1      LEU  14  -5.367   4.063   0.240
  114    HG   LEU  14           HG       LEU  14  -3.684   3.150   1.758
  115   HD11  LEU  14          HD11      LEU  14  -4.351   1.300  -0.515
  116   HD12  LEU  14          HD12      LEU  14  -5.366   1.662   0.878
  117   HD13  LEU  14          HD13      LEU  14  -3.838   0.807   1.099
  118   HD21  LEU  14          HD21      LEU  14  -1.729   1.971   0.900
  119   HD22  LEU  14          HD22      LEU  14  -1.672   3.690   0.501
  120   HD23  LEU  14          HD23      LEU  14  -2.122   2.511  -0.732
  121    H    VAL  15           HN       VAL  15  -4.977   6.314  -1.946
  122    HA   VAL  15           HA       VAL  15  -7.737   5.988  -2.290
  123    HB   VAL  15           HB       VAL  15  -5.928   8.351  -2.838
  124   HG11  VAL  15          HG11      VAL  15  -7.949   9.726  -3.079
  125   HG12  VAL  15          HG12      VAL  15  -8.955   8.280  -2.996
  126   HG13  VAL  15          HG13      VAL  15  -7.867   8.517  -4.361
  127   HG21  VAL  15          HG21      VAL  15  -6.190   7.756  -0.519
  128   HG22  VAL  15          HG22      VAL  15  -7.916   7.637  -0.678
  129   HG23  VAL  15          HG23      VAL  15  -7.130   9.221  -0.812
  130    H    GLU  16           HN       GLU  16  -5.165   6.288  -4.717
  131    HA   GLU  16           HA       GLU  16  -6.929   6.443  -6.892
  132    HB2  GLU  16           HB2      GLU  16  -4.009   5.682  -6.837
  133    HB3  GLU  16           HB1      GLU  16  -4.935   5.942  -8.311
  134    HG2  GLU  16           HG2      GLU  16  -5.394   8.243  -7.613
  135    HG3  GLU  16           HG1      GLU  16  -4.463   7.981  -6.147
  136    H    SER  17           HN       SER  17  -5.236   3.547  -5.524
  137    HA   SER  17           HA       SER  17  -6.442   1.910  -7.487
  138    HB2  SER  17           HB2      SER  17  -5.584  -0.017  -5.938
  139    HB3  SER  17           HB1      SER  17  -4.416   1.100  -6.608
  140    HG   SER  17           HG       SER  17  -5.480   1.172  -3.977
  141    H    ALA  18           HN       ALA  18  -7.748   3.424  -4.852
  142    HA   ALA  18           HA       ALA  18  -9.888   1.505  -4.417
  143    HB1  ALA  18           HB1      ALA  18  -8.957   2.867  -2.547
  144    HB2  ALA  18           HB2      ALA  18 -10.699   3.050  -2.755
  145    HB3  ALA  18           HB3      ALA  18  -9.603   4.306  -3.332
  146    H    GLY  19           HN       GLY  19  -9.168   4.115  -6.500
  147    HA2  GLY  19           HA2      GLY  19 -11.145   4.034  -8.256
  148    HA3  GLY  19           HA1      GLY  19 -11.955   4.823  -6.902
  149    H    GLU  20           HN       GLU  20  -9.567   6.183  -6.032
  150    HA   GLU  20           HA       GLU  20  -8.609   8.195  -6.167
  151    HB2  GLU  20           HB2      GLU  20  -7.648   7.186  -8.347
  152    HB3  GLU  20           HB1      GLU  20  -8.895   8.076  -9.193
  153    HG2  GLU  20           HG2      GLU  20  -6.681   9.274  -7.527
  154    HG3  GLU  20           HG1      GLU  20  -6.717   9.184  -9.280
  155    H    THR  21           HN       THR  21 -10.295   9.162  -5.140
  156    HA   THR  21           HA       THR  21 -11.906  10.646  -4.785
  157    HB   THR  21           HB       THR  21 -11.522  11.506  -7.696
  158    HG1  THR  21           HG1      THR  21  -9.560  11.757  -6.674
  159   HG21  THR  21          HG21      THR  21 -13.578  12.393  -6.644
  160   HG22  THR  21          HG22      THR  21 -12.396  13.672  -6.921
  161   HG23  THR  21          HG23      THR  21 -12.616  13.011  -5.302
  162    H    ASP  22           HN       ASP  22 -13.040   8.752  -4.564
  163    HA   ASP  22           HA       ASP  22 -14.747   7.769  -6.680
  164    HB2  ASP  22           HB2      ASP  22 -13.754   6.098  -5.373
  165    HB3  ASP  22           HB1      ASP  22 -14.149   6.910  -3.872
  166    H    GLY  23           HN       GLY  23 -15.178   9.185  -3.444
  167    HA2  GLY  23           HA2      GLY  23 -17.101  10.850  -3.506
  168    HA3  GLY  23           HA1      GLY  23 -18.037   9.442  -4.023
  169    H    THR  24           HN       THR  24 -16.675   7.529  -2.515
  170    HA   THR  24           HA       THR  24 -16.697   8.448   0.192
  171    HB   THR  24           HB       THR  24 -19.035   7.706  -0.124
  172    HG1  THR  24           HG1      THR  24 -19.026   6.004   1.543
  173   HG21  THR  24          HG21      THR  24 -19.587   5.332  -0.549
  174   HG22  THR  24          HG22      THR  24 -17.877   4.988  -0.809
  175   HG23  THR  24          HG23      THR  24 -18.737   6.056  -1.915
  176    H    ASP  25           HN       ASP  25 -14.580   8.019  -1.213
  177    HA   ASP  25           HA       ASP  25 -13.613   5.326  -0.575
  178    HB2  ASP  25           HB2      ASP  25 -11.691   5.729  -2.024
  179    HB3  ASP  25           HB1      ASP  25 -13.111   6.266  -2.887
  180    H    LEU  26           HN       LEU  26 -10.949   5.994  -0.211
  181    HA   LEU  26           HA       LEU  26 -10.782   6.413   2.530
  182    HB2  LEU  26           HB2      LEU  26  -8.662   6.871   0.457
  183    HB3  LEU  26           HB1      LEU  26  -8.424   6.491   2.154
  184    HG   LEU  26           HG       LEU  26  -9.649   4.648   0.112
  185   HD11  LEU  26          HD11      LEU  26  -6.990   4.590   1.496
  186   HD12  LEU  26          HD12      LEU  26  -7.265   4.965  -0.205
  187   HD13  LEU  26          HD13      LEU  26  -7.628   3.354   0.415
  188   HD21  LEU  26          HD21      LEU  26 -10.564   4.387   2.293
  189   HD22  LEU  26          HD22      LEU  26  -8.927   4.312   2.962
  190   HD23  LEU  26          HD23      LEU  26  -9.506   3.019   1.890
  191    H    SER  27           HN       SER  27  -9.948   8.535  -0.186
  192    HA   SER  27           HA       SER  27  -9.443  10.708  -0.395
  193    HB2  SER  27           HB2      SER  27 -11.485  10.937   1.725
  194    HB3  SER  27           HB1      SER  27 -11.035  12.246   0.626
  195    HG   SER  27           HG       SER  27 -11.602   9.988  -0.735
  196    H    GLY  28           HN       GLY  28  -8.100   9.187   1.950
  197    HA2  GLY  28           HA2      GLY  28  -6.043  10.471   2.777
  198    HA3  GLY  28           HA1      GLY  28  -7.262  11.542   3.474
  199    H    ASP  29           HN       ASP  29  -9.011   9.151   4.002
  200    HA   ASP  29           HA       ASP  29  -7.660   8.421   6.491
  201    HB2  ASP  29           HB2      ASP  29 -10.596   8.388   5.783
  202    HB3  ASP  29           HB1      ASP  29  -9.938   7.685   7.253
  203    H    PHE  30           HN       PHE  30  -6.640   6.690   6.388
  204    HA   PHE  30           HA       PHE  30  -7.897   4.169   5.786
  205    HB2  PHE  30           HB2      PHE  30  -6.160   3.435   4.150
  206    HB3  PHE  30           HB1      PHE  30  -7.275   4.550   3.424
  207    HD1  PHE  30           HD2      PHE  30  -6.509   6.964   3.131
  208    HD2  PHE  30           HD1      PHE  30  -3.867   3.859   4.304
  209    HE1  PHE  30           HE2      PHE  30  -4.587   8.322   2.386
  210    HE2  PHE  30           HE1      PHE  30  -1.951   5.224   3.566
  211    HZ   PHE  30           HZ       PHE  30  -2.304   7.547   2.900
  212    H    LEU  31           HN       LEU  31  -5.130   6.052   6.711
  213    HA   LEU  31           HA       LEU  31  -3.077   4.305   6.779
  214    HB2  LEU  31           HB2      LEU  31  -2.853   6.687   7.029
  215    HB3  LEU  31           HB1      LEU  31  -3.550   6.613   8.640
  216    HG   LEU  31           HG       LEU  31  -1.601   5.200   9.319
  217   HD11  LEU  31          HD11      LEU  31   0.406   5.251   7.908
  218   HD12  LEU  31          HD12      LEU  31  -0.521   6.034   6.632
  219   HD13  LEU  31          HD13      LEU  31  -0.928   4.393   7.135
  220   HD21  LEU  31          HD21      LEU  31  -1.696   7.573   9.850
  221   HD22  LEU  31          HD22      LEU  31  -0.988   7.966   8.285
  222   HD23  LEU  31          HD23      LEU  31  -0.040   7.086   9.484
  223    H    ASP  32           HN       ASP  32  -5.335   4.770   9.486
  224    HA   ASP  32           HA       ASP  32  -3.771   2.732  10.916
  225    HB2  ASP  32           HB2      ASP  32  -4.236   4.988  11.971
  226    HB3  ASP  32           HB1      ASP  32  -5.917   4.479  12.103
  227    H    LEU  33           HN       LEU  33  -6.484   2.947   9.068
  228    HA   LEU  33           HA       LEU  33  -8.109   1.063  10.587
  229    HB2  LEU  33           HB2      LEU  33  -9.039   3.115   9.464
  230    HB3  LEU  33           HB1      LEU  33  -8.604   2.407   7.928
  231    HG   LEU  33           HG       LEU  33 -10.204   0.575   8.338
  232   HD11  LEU  33          HD11      LEU  33 -10.917   2.185  10.785
  233   HD12  LEU  33          HD12      LEU  33 -10.124   0.613  10.782
  234   HD13  LEU  33          HD13      LEU  33 -11.784   0.766  10.191
  235   HD21  LEU  33          HD21      LEU  33 -12.212   1.925   8.006
  236   HD22  LEU  33          HD22      LEU  33 -10.841   2.581   7.101
  237   HD23  LEU  33          HD23      LEU  33 -11.353   3.352   8.598
  238    H    ARG  34           HN       ARG  34  -8.467  -1.097   9.808
  239    HA   ARG  34           HA       ARG  34  -6.300  -2.107   8.205
  240    HB2  ARG  34           HB2      ARG  34  -7.620  -3.248  10.213
  241    HB3  ARG  34           HB1      ARG  34  -8.735  -3.745   8.958
  242    HG2  ARG  34           HG2      ARG  34  -5.791  -4.388   8.871
  243    HG3  ARG  34           HG1      ARG  34  -6.974  -5.422   9.663
  244    HD2  ARG  34           HD2      ARG  34  -7.905  -6.091   7.679
  245    HD3  ARG  34           HD1      ARG  34  -7.450  -4.604   6.843
  246    HE   ARG  34           HE       ARG  34  -5.095  -5.544   7.131
  247   HH11  ARG  34          HH11      ARG  34  -7.856  -7.750   6.774
  248   HH12  ARG  34          HH12      ARG  34  -7.085  -8.761   5.656
  249   HH21  ARG  34          HH21      ARG  34  -4.012  -7.002   5.574
  250   HH22  ARG  34          HH22      ARG  34  -4.890  -8.307   4.919
  251    H    PHE  35           HN       PHE  35  -6.409  -2.940   6.122
  252    HA   PHE  35           HA       PHE  35  -7.693  -1.540   4.191
  253    HB2  PHE  35           HB2      PHE  35  -6.819  -4.414   3.959
  254    HB3  PHE  35           HB1      PHE  35  -7.173  -3.345   2.607
  255    HD1  PHE  35           HD2      PHE  35  -5.779  -1.260   2.350
  256    HD2  PHE  35           HD1      PHE  35  -4.735  -4.455   4.937
  257    HE1  PHE  35           HE2      PHE  35  -3.458  -0.468   2.379
  258    HE2  PHE  35           HE1      PHE  35  -2.415  -3.669   4.974
  259    HZ   PHE  35           HZ       PHE  35  -1.775  -1.676   3.694
  260    H    GLU  36           HN       GLU  36  -8.881  -4.645   5.403
  261    HA   GLU  36           HA       GLU  36 -11.119  -5.063   3.855
  262    HB2  GLU  36           HB2      GLU  36 -10.847  -5.427   6.826
  263    HB3  GLU  36           HB1      GLU  36 -12.125  -6.121   5.845
  264    HG2  GLU  36           HG2      GLU  36 -10.594  -7.503   4.695
  265    HG3  GLU  36           HG1      GLU  36  -9.212  -6.673   5.416
  266    H    ASP  37           HN       ASP  37 -10.728  -2.807   6.527
  267    HA   ASP  37           HA       ASP  37 -13.532  -2.122   6.564
  268    HB2  ASP  37           HB2      ASP  37 -11.259  -1.001   8.207
  269    HB3  ASP  37           HB1      ASP  37 -12.971  -0.738   8.473
  270    H    ILE  38           HN       ILE  38 -10.764  -1.135   4.868
  271    HA   ILE  38           HA       ILE  38 -11.778   1.609   4.648
  272    HB   ILE  38           HB       ILE  38  -9.722   2.280   3.538
  273   HG12  ILE  38          HG12      ILE  38  -8.665  -0.520   3.894
  274   HG13  ILE  38          HG11      ILE  38  -9.237   0.043   2.341
  275   HG21  ILE  38          HG21      ILE  38  -8.102   1.942   5.326
  276   HG22  ILE  38          HG22      ILE  38  -9.144   0.688   6.001
  277   HG23  ILE  38          HG23      ILE  38  -9.709   2.355   5.922
  278   HD11  ILE  38          HD11      ILE  38  -6.850   0.179   2.427
  279   HD12  ILE  38          HD12      ILE  38  -6.903   1.095   3.932
  280   HD13  ILE  38          HD13      ILE  38  -7.491   1.821   2.437
  281    H    GLY  39           HN       GLY  39 -12.900  -0.823   3.435
  282    HA2  GLY  39           HA2      GLY  39 -14.083  -1.221   1.528
  283    HA3  GLY  39           HA1      GLY  39 -13.532   0.333   0.912
  284    H    TYR  40           HN       TYR  40 -11.239  -2.058   2.007
  285    HA   TYR  40           HA       TYR  40 -10.495  -2.393  -0.748
  286    HB2  TYR  40           HB2      TYR  40  -8.888  -2.308   1.723
  287    HB3  TYR  40           HB1      TYR  40  -8.377  -3.525   0.556
  288    HD1  TYR  40           HD2      TYR  40  -9.840  -0.181  -0.065
  289    HD2  TYR  40           HD1      TYR  40  -6.464  -2.732  -0.357
  290    HE1  TYR  40           HE2      TYR  40  -8.741   1.455  -1.491
  291    HE2  TYR  40           HE1      TYR  40  -5.352  -1.101  -1.806
  292    HH   TYR  40           HH       TYR  40  -6.562   2.059  -2.286
  293    H    ASP  41           HN       ASP  41 -10.753  -3.994  -1.774
  294    HA   ASP  41           HA       ASP  41 -12.087  -6.321  -0.763
  295    HB2  ASP  41           HB2      ASP  41 -12.812  -5.482  -2.848
  296    HB3  ASP  41           HB1      ASP  41 -11.173  -5.300  -3.440
  297    H    SER  42           HN       SER  42  -9.361  -6.151  -2.942
  298    HA   SER  42           HA       SER  42  -7.283  -7.244  -1.517
  299    HB2  SER  42           HB2      SER  42  -7.291  -9.604  -2.441
  300    HB3  SER  42           HB1      SER  42  -8.576  -9.319  -1.258
  301    H    LEU  43           HN       LEU  43  -9.095  -7.401  -4.521
  302    HA   LEU  43           HA       LEU  43  -6.980  -7.311  -6.362
  303    HB2  LEU  43           HB2      LEU  43  -9.453  -7.615  -6.844
  304    HB3  LEU  43           HB1      LEU  43  -9.660  -5.902  -6.596
  305    HG   LEU  43           HG       LEU  43  -7.978  -7.100  -8.823
  306   HD11  LEU  43          HD11      LEU  43 -10.301  -7.753  -9.047
  307   HD12  LEU  43          HD12      LEU  43  -9.867  -6.563 -10.274
  308   HD13  LEU  43          HD13      LEU  43 -10.807  -6.074  -8.861
  309   HD21  LEU  43          HD21      LEU  43  -7.388  -4.744  -8.281
  310   HD22  LEU  43          HD22      LEU  43  -9.074  -4.291  -8.456
  311   HD23  LEU  43          HD23      LEU  43  -8.170  -4.868  -9.852
  312    H    ALA  44           HN       ALA  44  -8.656  -4.800  -4.618
  313    HA   ALA  44           HA       ALA  44  -7.306  -2.601  -5.687
  314    HB1  ALA  44           HB1      ALA  44  -8.109  -1.361  -3.761
  315    HB2  ALA  44           HB2      ALA  44  -8.496  -2.868  -2.934
  316    HB3  ALA  44           HB3      ALA  44  -9.373  -2.415  -4.395
  317    H    LEU  45           HN       LEU  45  -6.422  -4.769  -3.009
  318    HA   LEU  45           HA       LEU  45  -4.321  -3.205  -1.974
  319    HB2  LEU  45           HB2      LEU  45  -5.256  -5.956  -1.639
  320    HB3  LEU  45           HB1      LEU  45  -3.529  -5.771  -1.435
  321    HG   LEU  45           HG       LEU  45  -5.652  -4.325   0.157
  322   HD11  LEU  45          HD11      LEU  45  -3.626  -6.409   0.901
  323   HD12  LEU  45          HD12      LEU  45  -5.349  -6.753   0.659
  324   HD13  LEU  45          HD13      LEU  45  -4.814  -5.687   1.980
  325   HD21  LEU  45          HD21      LEU  45  -3.704  -2.933  -0.118
  326   HD22  LEU  45          HD22      LEU  45  -2.670  -4.317   0.241
  327   HD23  LEU  45          HD23      LEU  45  -3.720  -3.647   1.502
  328    H    MET  46           HN       MET  46  -4.298  -5.930  -4.094
  329    HA   MET  46           HA       MET  46  -1.508  -5.884  -4.639
  330    HB2  MET  46           HB2      MET  46  -1.987  -7.160  -6.732
  331    HB3  MET  46           HB1      MET  46  -2.683  -7.865  -5.280
  332    HG2  MET  46           HG2      MET  46  -4.741  -7.598  -5.972
  333    HG3  MET  46           HG1      MET  46  -4.412  -5.998  -6.635
  334    HE1  MET  46           HE1      MET  46  -3.445  -5.625  -9.110
  335    HE2  MET  46           HE2      MET  46  -2.922  -6.934 -10.171
  336    HE3  MET  46           HE3      MET  46  -2.043  -6.604  -8.679
  337    H    GLU  47           HN       GLU  47  -4.150  -4.125  -6.089
  338    HA   GLU  47           HA       GLU  47  -2.817  -3.108  -8.334
  339    HB2  GLU  47           HB2      GLU  47  -5.261  -3.037  -7.979
  340    HB3  GLU  47           HB1      GLU  47  -5.038  -1.904  -6.663
  341    HG2  GLU  47           HG2      GLU  47  -5.807  -0.764  -8.619
  342    HG3  GLU  47           HG1      GLU  47  -4.164  -0.269  -8.237
  343    H    THR  48           HN       THR  48  -3.134  -1.892  -4.991
  344    HA   THR  48           HA       THR  48  -1.643   0.466  -5.184
  345    HB   THR  48           HB       THR  48  -1.715  -1.440  -2.819
  346    HG1  THR  48           HG1      THR  48  -3.712   0.328  -3.801
  347   HG21  THR  48          HG21      THR  48  -1.632   0.632  -1.513
  348   HG22  THR  48          HG22      THR  48  -1.598   1.573  -3.004
  349   HG23  THR  48          HG23      THR  48  -0.247   0.512  -2.599
  350    H    ALA  49           HN       ALA  49  -0.724  -2.766  -4.033
  351    HA   ALA  49           HA       ALA  49   1.945  -2.285  -3.480
  352    HB1  ALA  49           HB1      ALA  49   0.705  -4.910  -4.267
  353    HB2  ALA  49           HB2      ALA  49   0.702  -4.219  -2.641
  354    HB3  ALA  49           HB3      ALA  49   2.225  -4.685  -3.405
  355    H    ALA  50           HN       ALA  50   0.699  -4.035  -6.357
  356    HA   ALA  50           HA       ALA  50   3.119  -4.495  -7.614
  357    HB1  ALA  50           HB1      ALA  50   1.853  -4.828  -9.661
  358    HB2  ALA  50           HB2      ALA  50   0.468  -3.985  -8.961
  359    HB3  ALA  50           HB3      ALA  50   0.998  -5.525  -8.286
  360    H    ARG  51           HN       ARG  51   1.125  -1.673  -7.690
  361    HA   ARG  51           HA       ARG  51   2.324  -0.328  -9.857
  362    HB2  ARG  51           HB2      ARG  51   0.140   0.327  -8.905
  363    HB3  ARG  51           HB1      ARG  51   0.941   0.763  -7.413
  364    HG2  ARG  51           HG2      ARG  51   2.170   2.512  -8.532
  365    HG3  ARG  51           HG1      ARG  51   1.408   2.078 -10.062
  366    HD2  ARG  51           HD2      ARG  51  -0.749   2.693  -9.224
  367    HD3  ARG  51           HD1      ARG  51  -0.090   2.955  -7.605
  368    HE   ARG  51           HE       ARG  51   1.250   4.503  -9.535
  369   HH11  ARG  51          HH11      ARG  51  -1.951   4.419  -7.947
  370   HH12  ARG  51          HH12      ARG  51  -1.983   6.126  -7.743
  371   HH21  ARG  51          HH21      ARG  51   1.068   6.848  -9.252
  372   HH22  ARG  51          HH22      ARG  51  -0.352   7.485  -8.509
  373    H    LEU  52           HN       LEU  52   2.764  -0.020  -6.368
  374    HA   LEU  52           HA       LEU  52   4.900   1.827  -6.555
  375    HB2  LEU  52           HB2      LEU  52   4.016   0.113  -4.242
  376    HB3  LEU  52           HB1      LEU  52   5.169   1.430  -4.135
  377    HG   LEU  52           HG       LEU  52   2.259   1.705  -4.903
  378   HD11  LEU  52          HD11      LEU  52   2.538   1.179  -2.551
  379   HD12  LEU  52          HD12      LEU  52   2.021   2.851  -2.767
  380   HD13  LEU  52          HD13      LEU  52   3.706   2.491  -2.387
  381   HD21  LEU  52          HD21      LEU  52   2.667   4.119  -4.762
  382   HD22  LEU  52          HD22      LEU  52   3.651   3.367  -6.019
  383   HD23  LEU  52          HD23      LEU  52   4.381   3.810  -4.476
  384    H    GLU  53           HN       GLU  53   4.744  -1.661  -6.090
  385    HA   GLU  53           HA       GLU  53   7.372  -2.214  -5.449
  386    HB2  GLU  53           HB2      GLU  53   5.458  -3.838  -7.102
  387    HB3  GLU  53           HB1      GLU  53   7.001  -4.429  -6.531
  388    HG2  GLU  53           HG2      GLU  53   6.227  -4.160  -4.224
  389    HG3  GLU  53           HG1      GLU  53   4.684  -3.569  -4.839
  390    H    SER  54           HN       SER  54   5.885  -2.487  -8.655
  391    HA   SER  54           HA       SER  54   8.328  -2.953  -9.926
  392    HB2  SER  54           HB2      SER  54   5.660  -2.182 -11.086
  393    HB3  SER  54           HB1      SER  54   7.014  -2.906 -11.968
  394    HG   SER  54           HG       SER  54   6.755  -4.519 -10.020
  395    H    ARG  55           HN       ARG  55   6.578   0.026  -9.266
  396    HA   ARG  55           HA       ARG  55   7.956   1.580 -11.174
  397    HB2  ARG  55           HB2      ARG  55   5.904   2.452 -10.175
  398    HB3  ARG  55           HB1      ARG  55   6.665   2.506  -8.589
  399    HG2  ARG  55           HG2      ARG  55   8.247   4.179  -9.394
  400    HG3  ARG  55           HG1      ARG  55   7.529   4.101 -10.995
  401    HD2  ARG  55           HD2      ARG  55   5.450   5.010 -10.137
  402    HD3  ARG  55           HD1      ARG  55   6.096   4.985  -8.490
  403    HE   ARG  55           HE       ARG  55   7.826   6.416 -10.167
  404   HH11  ARG  55          HH11      ARG  55   4.535   6.901  -8.945
  405   HH12  ARG  55          HH12      ARG  55   4.739   8.537  -8.598
  406   HH21  ARG  55          HH21      ARG  55   8.099   8.643  -9.811
  407   HH22  ARG  55          HH22      ARG  55   6.841   9.619  -9.183
  408    H    TYR  56           HN       TYR  56   8.715   0.854  -7.795
  409    HA   TYR  56           HA       TYR  56  11.106   2.499  -8.110
  410    HB2  TYR  56           HB2      TYR  56   9.943   1.292  -5.603
  411    HB3  TYR  56           HB1      TYR  56  11.357   2.346  -5.671
  412    HD1  TYR  56           HD2      TYR  56  10.913   4.632  -6.988
  413    HD2  TYR  56           HD1      TYR  56   7.915   2.276  -5.112
  414    HE1  TYR  56           HE2      TYR  56   9.469   6.607  -6.830
  415    HE2  TYR  56           HE1      TYR  56   6.456   4.243  -4.947
  416    HH   TYR  56           HH       TYR  56   7.063   7.070  -6.654
  417    H    GLY  57           HN       GLY  57  10.230  -0.757  -8.176
  418    HA2  GLY  57           HA2      GLY  57  11.670  -2.395  -9.021
  419    HA3  GLY  57           HA1      GLY  57  13.044  -1.419  -8.529
  420    H    VAL  58           HN       VAL  58  10.235  -2.764  -6.806
  421    HA   VAL  58           HA       VAL  58  12.079  -4.296  -5.168
  422    HB   VAL  58           HB       VAL  58  10.775  -3.861  -3.104
  423   HG11  VAL  58          HG11      VAL  58  12.759  -2.554  -3.501
  424   HG12  VAL  58          HG12      VAL  58  11.540  -1.580  -2.675
  425   HG13  VAL  58          HG13      VAL  58  11.819  -1.369  -4.406
  426   HG21  VAL  58          HG21      VAL  58   8.633  -3.284  -4.090
  427   HG22  VAL  58          HG22      VAL  58   9.324  -1.791  -4.747
  428   HG23  VAL  58          HG23      VAL  58   9.178  -2.005  -3.001
  429    H    SER  59           HN       SER  59  10.546  -5.833  -3.642
  430    HA   SER  59           HA       SER  59   8.467  -6.962  -5.380
  431    HB2  SER  59           HB2      SER  59  10.699  -8.590  -4.159
  432    HB3  SER  59           HB1      SER  59   9.429  -9.157  -5.242
  433    HG   SER  59           HG       SER  59  10.594  -7.157  -6.455
  434    H    ILE  60           HN       ILE  60   6.713  -7.251  -4.130
  435    HA   ILE  60           HA       ILE  60   7.069  -7.947  -1.301
  436    HB   ILE  60           HB       ILE  60   4.656  -6.810  -2.757
  437   HG12  ILE  60          HG12      ILE  60   6.437  -5.553  -0.653
  438   HG13  ILE  60          HG11      ILE  60   6.459  -5.172  -2.370
  439   HG21  ILE  60          HG21      ILE  60   3.943  -8.331  -0.999
  440   HG22  ILE  60          HG22      ILE  60   3.584  -6.664  -0.552
  441   HG23  ILE  60          HG23      ILE  60   4.965  -7.490   0.168
  442   HD11  ILE  60          HD11      ILE  60   4.151  -4.721  -0.489
  443   HD12  ILE  60          HD12      ILE  60   4.174  -4.328  -2.209
  444   HD13  ILE  60          HD13      ILE  60   5.256  -3.488  -1.096
  445    HA   PRO  61           HA       PRO  61   5.839 -12.112  -2.614
  446    HB2  PRO  61           HB2      PRO  61   5.313 -12.209   0.327
  447    HB3  PRO  61           HB1      PRO  61   6.175 -13.376  -0.697
  448    HG2  PRO  61           HG2      PRO  61   7.554 -11.773   0.875
  449    HG3  PRO  61           HG1      PRO  61   8.100 -12.043  -0.792
  450    HD2  PRO  61           HD2      PRO  61   6.657  -9.691   0.370
  451    HD3  PRO  61           HD1      PRO  61   7.994  -9.727  -0.799
  452    H    ASP  62           HN       ASP  62   3.877 -13.072  -2.940
  453    HA   ASP  62           HA       ASP  62   1.551 -11.525  -3.009
  454    HB2  ASP  62           HB2      ASP  62   1.824 -14.532  -3.093
  455    HB3  ASP  62           HB1      ASP  62   0.294 -13.698  -3.311
  456    H    ASP  63           HN       ASP  63   2.520 -13.938  -0.645
  457    HA   ASP  63           HA       ASP  63   0.074 -13.696   0.826
  458    HB2  ASP  63           HB2      ASP  63   1.045 -15.119   2.531
  459    HB3  ASP  63           HB1      ASP  63   1.471 -15.766   0.954
  460    H    VAL  64           HN       VAL  64   3.002 -11.951   0.777
  461    HA   VAL  64           HA       VAL  64   2.650 -10.918   3.411
  462    HB   VAL  64           HB       VAL  64   4.642 -10.077   1.271
  463   HG11  VAL  64          HG11      VAL  64   5.787  -8.825   3.042
  464   HG12  VAL  64          HG12      VAL  64   4.488  -9.219   4.169
  465   HG13  VAL  64          HG13      VAL  64   4.166  -8.186   2.776
  466   HG21  VAL  64          HG21      VAL  64   6.252 -11.198   2.720
  467   HG22  VAL  64          HG22      VAL  64   4.985 -12.302   2.186
  468   HG23  VAL  64          HG23      VAL  64   4.951 -11.647   3.823
  469    H    ALA  65           HN       ALA  65   1.926  -9.822   0.141
  470    HA   ALA  65           HA       ALA  65   0.982  -7.260   0.911
  471    HB1  ALA  65           HB1      ALA  65  -0.195  -7.179  -1.251
  472    HB2  ALA  65           HB2      ALA  65   0.052  -8.895  -1.472
  473    HB3  ALA  65           HB3      ALA  65   1.437  -7.800  -1.464
  474    H    GLY  66           HN       GLY  66  -0.293 -10.369   1.365
  475    HA2  GLY  66           HA2      GLY  66  -2.937  -9.319   2.036
  476    HA3  GLY  66           HA1      GLY  66  -2.476 -11.016   1.994
  477    H    ARG  67           HN       ARG  67   0.024  -9.991   3.472
  478    HA   ARG  67           HA       ARG  67  -1.098 -10.429   6.113
  479    HB2  ARG  67           HB2      ARG  67   1.624 -10.818   4.941
  480    HB3  ARG  67           HB1      ARG  67   1.469 -10.578   6.678
  481    HG2  ARG  67           HG2      ARG  67   0.030 -12.505   6.850
  482    HG3  ARG  67           HG1      ARG  67   0.038 -12.697   5.098
  483    HD2  ARG  67           HD2      ARG  67   2.281 -13.372   5.069
  484    HD3  ARG  67           HD1      ARG  67   2.578 -12.731   6.688
  485    HE   ARG  67           HE       ARG  67   0.830 -14.519   7.296
  486   HH11  ARG  67          HH11      ARG  67   3.239 -15.072   4.717
  487   HH12  ARG  67          HH12      ARG  67   3.610 -16.644   5.234
  488   HH21  ARG  67          HH21      ARG  67   1.308 -16.664   7.938
  489   HH22  ARG  67          HH22      ARG  67   2.442 -17.623   7.086
  490    H    VAL  68           HN       VAL  68  -0.399  -7.866   4.294
  491    HA   VAL  68           HA       VAL  68   0.625  -6.216   6.407
  492    HB   VAL  68           HB       VAL  68   0.091  -4.278   4.857
  493   HG11  VAL  68          HG11      VAL  68   1.804  -4.791   3.206
  494   HG12  VAL  68          HG12      VAL  68   1.717  -6.500   3.642
  495   HG13  VAL  68          HG13      VAL  68   2.279  -5.313   4.821
  496   HG21  VAL  68          HG21      VAL  68  -1.795  -5.262   3.659
  497   HG22  VAL  68          HG22      VAL  68  -0.727  -6.471   2.952
  498   HG23  VAL  68          HG23      VAL  68  -0.530  -4.773   2.530
  499    H    ASP  69           HN       ASP  69  -0.516  -5.419   7.960
  500    HA   ASP  69           HA       ASP  69  -3.337  -6.063   8.023
  501    HB2  ASP  69           HB2      ASP  69  -1.810  -6.566   9.930
  502    HB3  ASP  69           HB1      ASP  69  -1.601  -4.838  10.166
  503    H    THR  70           HN       THR  70  -1.489  -3.156   8.962
  504    HA   THR  70           HA       THR  70  -3.778  -1.537   8.204
  505    HB   THR  70           HB       THR  70  -2.466   0.246   9.372
  506    HG1  THR  70           HG1      THR  70  -0.612  -0.604  10.636
  507   HG21  THR  70          HG21      THR  70  -2.732  -0.661  11.655
  508   HG22  THR  70          HG22      THR  70  -2.869  -2.289  10.984
  509   HG23  THR  70          HG23      THR  70  -4.109  -1.083  10.636
  510    HA   PRO  71           HA       PRO  71  -1.604  -0.007   4.541
  511    HB2  PRO  71           HB2      PRO  71  -2.300   2.715   5.558
  512    HB3  PRO  71           HB1      PRO  71  -2.578   2.014   3.957
  513    HG2  PRO  71           HG2      PRO  71  -4.600   2.261   5.624
  514    HG3  PRO  71           HG1      PRO  71  -4.410   0.767   4.679
  515    HD2  PRO  71           HD2      PRO  71  -3.736   1.287   7.551
  516    HD3  PRO  71           HD1      PRO  71  -4.534  -0.125   6.824
  517    H    ARG  72           HN       ARG  72  -1.174   1.561   7.647
  518    HA   ARG  72           HA       ARG  72   1.315   2.758   7.329
  519    HB2  ARG  72           HB2      ARG  72  -0.305   2.764   9.357
  520    HB3  ARG  72           HB1      ARG  72   0.519   1.288   9.838
  521    HG2  ARG  72           HG2      ARG  72   2.650   2.518   9.876
  522    HG3  ARG  72           HG1      ARG  72   1.780   3.995   9.464
  523    HD2  ARG  72           HD2      ARG  72   1.532   2.341  11.970
  524    HD3  ARG  72           HD1      ARG  72   2.152   3.982  11.822
  525    HE   ARG  72           HE       ARG  72  -0.667   3.180  11.481
  526   HH11  ARG  72          HH11      ARG  72   1.663   5.804  12.161
  527   HH12  ARG  72          HH12      ARG  72   0.534   6.745  13.006
  528   HH21  ARG  72          HH21      ARG  72  -2.176   4.480  12.748
  529   HH22  ARG  72          HH22      ARG  72  -1.702   6.003  13.322
  530    H    GLU  73           HN       GLU  73   0.486  -0.582   8.191
  531    HA   GLU  73           HA       GLU  73   3.066  -1.667   8.506
  532    HB2  GLU  73           HB2      GLU  73   0.934  -2.705   9.263
  533    HB3  GLU  73           HB1      GLU  73   0.491  -2.981   7.593
  534    HG2  GLU  73           HG2      GLU  73   1.224  -5.031   8.534
  535    HG3  GLU  73           HG1      GLU  73   2.454  -4.490   7.395
  536    H    LEU  74           HN       LEU  74   0.933  -1.349   5.701
  537    HA   LEU  74           HA       LEU  74   2.502  -2.816   3.815
  538    HB2  LEU  74           HB2      LEU  74   0.009  -1.825   3.769
  539    HB3  LEU  74           HB1      LEU  74   0.798  -0.491   2.964
  540    HG   LEU  74           HG       LEU  74   0.363  -3.314   1.985
  541   HD11  LEU  74          HD11      LEU  74  -0.275  -0.658   0.797
  542   HD12  LEU  74          HD12      LEU  74  -1.388  -1.792   1.562
  543   HD13  LEU  74          HD13      LEU  74  -0.579  -2.229   0.058
  544   HD21  LEU  74          HD21      LEU  74   2.255  -1.309   0.739
  545   HD22  LEU  74          HD22      LEU  74   1.761  -2.847   0.027
  546   HD23  LEU  74          HD23      LEU  74   2.727  -2.825   1.505
  547    H    LEU  75           HN       LEU  75   2.212   0.633   4.601
  548    HA   LEU  75           HA       LEU  75   4.068   1.714   2.836
  549    HB2  LEU  75           HB2      LEU  75   2.513   3.033   4.194
  550    HB3  LEU  75           HB1      LEU  75   3.415   2.617   5.638
  551    HG   LEU  75           HG       LEU  75   5.376   3.832   4.723
  552   HD11  LEU  75          HD11      LEU  75   5.064   5.327   2.812
  553   HD12  LEU  75          HD12      LEU  75   3.456   4.644   2.554
  554   HD13  LEU  75          HD13      LEU  75   4.886   3.631   2.364
  555   HD21  LEU  75          HD21      LEU  75   2.836   5.450   4.911
  556   HD22  LEU  75          HD22      LEU  75   4.475   6.079   5.073
  557   HD23  LEU  75          HD23      LEU  75   3.848   4.941   6.264
  558    H    ASP  76           HN       ASP  76   4.517   0.577   6.147
  559    HA   ASP  76           HA       ASP  76   7.254   1.138   6.437
  560    HB2  ASP  76           HB2      ASP  76   5.783   0.535   8.328
  561    HB3  ASP  76           HB1      ASP  76   5.671  -1.108   7.711
  562    H    LEU  77           HN       LEU  77   5.590  -1.643   5.161
  563    HA   LEU  77           HA       LEU  77   7.764  -3.384   4.839
  564    HB2  LEU  77           HB2      LEU  77   5.462  -4.120   4.676
  565    HB3  LEU  77           HB1      LEU  77   5.208  -3.113   3.268
  566    HG   LEU  77           HG       LEU  77   6.833  -4.517   2.026
  567   HD11  LEU  77          HD11      LEU  77   7.456  -6.697   2.940
  568   HD12  LEU  77          HD12      LEU  77   6.722  -6.260   4.483
  569   HD13  LEU  77          HD13      LEU  77   8.128  -5.373   3.891
  570   HD21  LEU  77          HD21      LEU  77   4.446  -4.877   1.840
  571   HD22  LEU  77          HD22      LEU  77   4.483  -5.944   3.243
  572   HD23  LEU  77          HD23      LEU  77   5.312  -6.411   1.759
  573    H    ILE  78           HN       ILE  78   6.267  -1.063   2.645
  574    HA   ILE  78           HA       ILE  78   8.098  -1.648   0.558
  575    HB   ILE  78           HB       ILE  78   6.176   0.697   0.811
  576   HG12  ILE  78          HG12      ILE  78   5.994  -1.949  -0.647
  577   HG13  ILE  78          HG11      ILE  78   5.035  -1.446   0.736
  578   HG21  ILE  78          HG21      ILE  78   7.723  -0.277  -1.602
  579   HG22  ILE  78          HG22      ILE  78   8.022   1.223  -0.729
  580   HG23  ILE  78          HG23      ILE  78   6.510   1.005  -1.610
  581   HD11  ILE  78          HD11      ILE  78   4.945  -0.265  -2.031
  582   HD12  ILE  78          HD12      ILE  78   3.980   0.285  -0.654
  583   HD13  ILE  78          HD13      ILE  78   3.751  -1.337  -1.305
  584    H    ASN  79           HN       ASN  79   7.901   0.839   3.048
  585    HA   ASN  79           HA       ASN  79   9.988   2.463   2.082
  586    HB2  ASN  79           HB2      ASN  79   8.807   2.079   4.792
  587    HB3  ASN  79           HB1      ASN  79  10.314   2.955   4.654
  588   HD21  ASN  79          HD21      ASN  79   7.706   3.067   2.272
  589   HD22  ASN  79          HD22      ASN  79   7.286   4.718   2.620
  590    H    GLY  80           HN       GLY  80  10.075  -0.359   4.189
  591    HA2  GLY  80           HA2      GLY  80  12.842  -0.295   4.724
  592    HA3  GLY  80           HA1      GLY  80  11.826  -1.736   4.770
  593    H    ALA  81           HN       ALA  81  10.996  -1.725   2.111
  594    HA   ALA  81           HA       ALA  81  13.233  -2.980   0.875
  595    HB1  ALA  81           HB1      ALA  81  10.507  -2.327  -0.251
  596    HB2  ALA  81           HB2      ALA  81  10.948  -3.813   0.591
  597    HB3  ALA  81           HB3      ALA  81  11.687  -3.427  -0.963
  598    H    LEU  82           HN       LEU  82  11.743   0.148   0.698
  599    HA   LEU  82           HA       LEU  82  12.761   1.010  -1.773
  600    HB2  LEU  82           HB2      LEU  82  11.850   2.569   0.622
  601    HB3  LEU  82           HB1      LEU  82  12.345   3.323  -0.880
  602    HG   LEU  82           HG       LEU  82  10.044   1.402  -0.576
  603   HD11  LEU  82          HD11      LEU  82  10.073   4.385  -0.922
  604   HD12  LEU  82          HD12      LEU  82   9.604   3.506   0.532
  605   HD13  LEU  82          HD13      LEU  82   8.643   3.356  -0.936
  606   HD21  LEU  82          HD21      LEU  82  11.051   1.315  -2.791
  607   HD22  LEU  82          HD22      LEU  82  10.933   3.069  -2.922
  608   HD23  LEU  82          HD23      LEU  82   9.468   2.091  -2.847
  609    H    ALA  83           HN       ALA  83  14.314   0.586   1.200
  610    HA   ALA  83           HA       ALA  83  16.438   2.420   0.873
  611    HB1  ALA  83           HB1      ALA  83  16.022   1.228   2.991
  612    HB2  ALA  83           HB2      ALA  83  17.673   0.970   2.427
  613    HB3  ALA  83           HB3      ALA  83  16.458  -0.293   2.217
  614    H    GLU  84           HN       GLU  84  15.665  -0.666  -0.486
  615    HA   GLU  84           HA       GLU  84  18.246  -0.949  -1.836
  616    HB2  GLU  84           HB2      GLU  84  15.920  -2.867  -1.550
  617    HB3  GLU  84           HB1      GLU  84  17.486  -3.234  -2.248
  618    HG2  GLU  84           HG2      GLU  84  17.036  -2.443   0.624
  619    HG3  GLU  84           HG1      GLU  84  17.178  -4.103   0.051
  620    H    ALA  85           HN       ALA  85  15.699   0.807  -2.433
  621    HA   ALA  85           HA       ALA  85  15.091  -0.217  -5.106
  622    HB1  ALA  85           HB1      ALA  85  13.172   0.195  -3.635
  623    HB2  ALA  85           HB2      ALA  85  13.151   1.239  -5.057
  624    HB3  ALA  85           HB3      ALA  85  13.654   1.884  -3.494
  625    H    ALA  86           HN       ALA  86  14.602   1.658  -6.669
  626    HA   ALA  86           HA       ALA  86  16.451   3.855  -6.374
  627    HB1  ALA  86           HB1      ALA  86  16.595   1.886  -8.671
  628    HB2  ALA  86           HB2      ALA  86  17.813   2.091  -7.412
  629    HB3  ALA  86           HB3      ALA  86  17.499   3.395  -8.559
  630   H281  PSR  87          H28A      PSR  87  -8.042 -10.798  -6.014
  631   H282  PSR  87          H28B      PSR  87  -7.267  -9.696  -4.886
  632   H301  PSR  87          H30A      PSR  87  -4.472 -10.873  -6.837
  633   H302  PSR  87          H30B      PSR  87  -5.349  -9.473  -6.222
  634   H303  PSR  87          H30C      PSR  87  -6.097 -10.518  -7.438
  635   H311  PSR  87          H31A      PSR  87  -4.140 -11.614  -4.476
  636   H312  PSR  87          H31B      PSR  87  -5.546 -11.745  -3.419
  637   H313  PSR  87          H31C      PSR  87  -5.008 -10.166  -3.973
  638   H321  PSR  87          H32A      PSR  87  -5.167 -13.151  -6.396
  639   H331  PSR  87          H33A      PSR  87  -7.762 -13.502  -6.552
  640   H361  PSR  87          H36A      PSR  87  -4.726 -13.855  -4.144
  641   H371  PSR  87          H37A      PSR  87  -6.901 -15.154  -2.642
  642   H372  PSR  87          H37B      PSR  87  -5.619 -16.155  -3.302
  643   H381  PSR  87          H38A      PSR  87  -5.071 -15.719  -1.053
  644   H382  PSR  87          H38B      PSR  87  -3.942 -14.780  -2.055
  645   H411  PSR  87          H41A      PSR  87  -3.483 -13.371  -0.499
  646   H421  PSR  87          H42A      PSR  87  -5.511 -11.755   0.854
  647   H422  PSR  87          H42B      PSR  87  -3.786 -11.816   1.170
  648   H431  PSR  87          H43A      PSR  87  -4.152  -9.699   0.149
  649   H432  PSR  87          H43B      PSR  87  -5.127 -10.455  -1.111
  650   HC21  PSR  87          H2A       PSR  87  -2.039  -8.363  -4.003
  651   HC22  PSR  87          H2B       PSR  87  -2.667  -9.971  -4.310
  652   HC31  PSR  87          H3A       PSR  87  -0.798 -11.026  -3.318
  653   HC32  PSR  87          H3B       PSR  87  -0.186  -9.482  -2.694
  654   HC41  PSR  87          H4C       PSR  87  -0.522 -10.218  -5.599
  655   HC42  PSR  87          H4A       PSR  87   1.007 -10.175  -4.712
  656   HC43  PSR  87          H4B       PSR  87   0.094  -8.688  -4.968
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  19.980  10.641   1.950
    2    H2   MET   1           HT2      MET   1  20.420   9.755   3.311
    3    H3   MET   1           HT3      MET   1  20.261  11.461   3.418
    4    HA   MET   1           HA       MET   1  18.461  10.228   4.438
    5    HB2  MET   1           HB2      MET   1  16.651  11.474   3.475
    6    HB3  MET   1           HB1      MET   1  18.077  12.491   3.375
    7    HG2  MET   1           HG2      MET   1  18.316  11.967   1.018
    8    HG3  MET   1           HG1      MET   1  16.952  10.856   1.107
    9    HE1  MET   1           HE1      MET   1  17.391  14.371   2.807
   10    HE2  MET   1           HE2      MET   1  16.653  15.427   1.601
   11    HE3  MET   1           HE3      MET   1  18.141  14.561   1.223
   12    H    ALA   2           HN       ALA   2  16.451   9.061   3.924
   13    HA   ALA   2           HA       ALA   2  16.966   7.099   1.819
   14    HB1  ALA   2           HB1      ALA   2  15.220   6.920   4.279
   15    HB2  ALA   2           HB2      ALA   2  16.800   6.163   4.074
   16    HB3  ALA   2           HB3      ALA   2  15.437   5.644   3.081
   17    H    THR   3           HN       THR   3  15.740   7.330   0.051
   18    HA   THR   3           HA       THR   3  13.456   9.031   0.177
   19    HB   THR   3           HB       THR   3  14.888   9.104  -1.819
   20    HG1  THR   3           HG1      THR   3  12.563   9.404  -1.948
   21   HG21  THR   3          HG21      THR   3  14.965   7.246  -3.445
   22   HG22  THR   3          HG22      THR   3  14.056   6.237  -2.315
   23   HG23  THR   3          HG23      THR   3  15.678   6.787  -1.897
   24    H    LEU   4           HN       LEU   4  11.753   8.319   1.058
   25    HA   LEU   4           HA       LEU   4  10.955   5.515   0.745
   26    HB2  LEU   4           HB2      LEU   4  10.676   7.238   3.210
   27    HB3  LEU   4           HB1      LEU   4  10.082   5.603   3.034
   28    HG   LEU   4           HG       LEU   4  12.984   6.438   3.072
   29   HD11  LEU   4          HD11      LEU   4  11.309   4.989   5.111
   30   HD12  LEU   4          HD12      LEU   4  11.929   6.634   5.243
   31   HD13  LEU   4          HD13      LEU   4  13.047   5.270   5.218
   32   HD21  LEU   4          HD21      LEU   4  12.632   4.479   1.650
   33   HD22  LEU   4          HD22      LEU   4  11.751   3.683   2.954
   34   HD23  LEU   4          HD23      LEU   4  13.468   4.038   3.139
   35    H    LEU   5           HN       LEU   5   8.592   5.366   1.512
   36    HA   LEU   5           HA       LEU   5   7.044   7.277  -0.006
   37    HB2  LEU   5           HB2      LEU   5   6.273   4.810   1.525
   38    HB3  LEU   5           HB1      LEU   5   5.194   5.766   0.543
   39    HG   LEU   5           HG       LEU   5   7.558   4.227  -0.514
   40   HD11  LEU   5          HD11      LEU   5   5.839   2.690  -1.340
   41   HD12  LEU   5          HD12      LEU   5   4.615   3.629  -0.464
   42   HD13  LEU   5          HD13      LEU   5   5.866   2.765   0.424
   43   HD21  LEU   5          HD21      LEU   5   5.240   5.581  -1.877
   44   HD22  LEU   5          HD22      LEU   5   6.492   4.618  -2.660
   45   HD23  LEU   5          HD23      LEU   5   6.912   6.144  -1.882
   46    H    THR   6           HN       THR   6   5.928   8.843   0.958
   47    HA   THR   6           HA       THR   6   5.768   8.765   3.850
   48    HB   THR   6           HB       THR   6   5.133  11.168   3.684
   49    HG1  THR   6           HG1      THR   6   5.592  10.733   0.876
   50   HG21  THR   6          HG21      THR   6   7.340  12.001   2.992
   51   HG22  THR   6          HG22      THR   6   7.685  10.447   2.230
   52   HG23  THR   6          HG23      THR   6   7.484  10.547   3.981
   53    H    THR   7           HN       THR   7   3.600  10.081   4.464
   54    HA   THR   7           HA       THR   7   1.463   8.393   4.043
   55    HB   THR   7           HB       THR   7   1.298  11.350   4.629
   56    HG1  THR   7           HG1      THR   7   2.770  10.166   6.102
   57   HG21  THR   7          HG21      THR   7  -0.530   9.053   5.377
   58   HG22  THR   7          HG22      THR   7  -0.877  10.291   4.176
   59   HG23  THR   7          HG23      THR   7  -0.749  10.726   5.881
   60    H    ASP   8           HN       ASP   8   2.240  11.483   2.368
   61    HA   ASP   8           HA       ASP   8   0.041  11.519   0.621
   62    HB2  ASP   8           HB2      ASP   8   1.407  13.497   0.879
   63    HB3  ASP   8           HB1      ASP   8   2.798  12.673   0.183
   64    H    ASP   9           HN       ASP   9   3.190   9.997   0.225
   65    HA   ASP   9           HA       ASP   9   2.946   9.298  -2.514
   66    HB2  ASP   9           HB2      ASP   9   4.494   7.890  -0.332
   67    HB3  ASP   9           HB1      ASP   9   4.606   7.497  -2.032
   68    H    LEU  10           HN       LEU  10   2.263   7.562   0.438
   69    HA   LEU  10           HA       LEU  10   1.313   5.216  -0.814
   70    HB2  LEU  10           HB2      LEU  10   2.123   5.432   1.538
   71    HB3  LEU  10           HB1      LEU  10   0.648   6.292   1.920
   72    HG   LEU  10           HG       LEU  10  -0.624   4.251   1.232
   73   HD11  LEU  10          HD11      LEU  10   1.071   3.209  -0.162
   74   HD12  LEU  10          HD12      LEU  10   0.574   2.129   1.141
   75   HD13  LEU  10          HD13      LEU  10   2.112   2.988   1.246
   76   HD21  LEU  10          HD21      LEU  10  -0.166   3.062   3.304
   77   HD22  LEU  10          HD22      LEU  10  -0.189   4.813   3.553
   78   HD23  LEU  10          HD23      LEU  10   1.346   3.953   3.479
   79    H    ARG  11           HN       ARG  11  -0.254   8.061   0.559
   80    HA   ARG  11           HA       ARG  11  -2.910   7.391   0.435
   81    HB2  ARG  11           HB2      ARG  11  -1.964   9.403   1.522
   82    HB3  ARG  11           HB1      ARG  11  -1.716  10.123  -0.055
   83    HG2  ARG  11           HG2      ARG  11  -4.143  10.167  -0.418
   84    HG3  ARG  11           HG1      ARG  11  -4.354   9.374   1.152
   85    HD2  ARG  11           HD2      ARG  11  -4.710  11.843   1.230
   86    HD3  ARG  11           HD1      ARG  11  -3.462  11.250   2.325
   87    HE   ARG  11           HE       ARG  11  -2.472  12.102  -0.231
   88   HH11  ARG  11          HH11      ARG  11  -3.409  13.352   2.993
   89   HH12  ARG  11          HH12      ARG  11  -2.308  14.639   2.954
   90   HH21  ARG  11          HH21      ARG  11  -0.908  13.898  -0.206
   91   HH22  ARG  11          HH22      ARG  11  -0.833  14.937   1.131
   92    H    ARG  12           HN       ARG  12  -1.065   9.065  -2.088
   93    HA   ARG  12           HA       ARG  12  -3.173   9.214  -3.910
   94    HB2  ARG  12           HB2      ARG  12  -1.414   9.527  -5.672
   95    HB3  ARG  12           HB1      ARG  12  -1.326  10.622  -4.304
   96    HG2  ARG  12           HG2      ARG  12   0.464   9.194  -3.352
   97    HG3  ARG  12           HG1      ARG  12   0.422   8.239  -4.838
   98    HD2  ARG  12           HD2      ARG  12   1.033  10.127  -6.145
   99    HD3  ARG  12           HD1      ARG  12   0.864  11.205  -4.763
  100    HE   ARG  12           HE       ARG  12   2.773   9.210  -4.216
  101   HH11  ARG  12          HH11      ARG  12   2.272  12.223  -5.987
  102   HH12  ARG  12          HH12      ARG  12   3.910  12.625  -6.124
  103   HH21  ARG  12          HH21      ARG  12   5.125   9.849  -4.231
  104   HH22  ARG  12          HH22      ARG  12   5.555  11.234  -5.101
  105    H    ALA  13           HN       ALA  13  -0.952   6.564  -3.340
  106    HA   ALA  13           HA       ALA  13  -1.711   5.053  -5.627
  107    HB1  ALA  13           HB1      ALA  13  -0.578   3.182  -4.539
  108    HB2  ALA  13           HB2      ALA  13  -0.510   4.090  -3.028
  109    HB3  ALA  13           HB3      ALA  13   0.400   4.646  -4.432
  110    H    LEU  14           HN       LEU  14  -2.740   5.041  -2.244
  111    HA   LEU  14           HA       LEU  14  -4.624   2.930  -2.442
  112    HB2  LEU  14           HB2      LEU  14  -4.297   5.218  -0.523
  113    HB3  LEU  14           HB1      LEU  14  -5.723   4.221  -0.441
  114    HG   LEU  14           HG       LEU  14  -4.087   3.586   1.242
  115   HD11  LEU  14          HD11      LEU  14  -5.532   1.864   0.418
  116   HD12  LEU  14          HD12      LEU  14  -3.943   1.211   0.823
  117   HD13  LEU  14          HD13      LEU  14  -4.384   1.482  -0.864
  118   HD21  LEU  14          HD21      LEU  14  -1.976   2.539   0.653
  119   HD22  LEU  14          HD22      LEU  14  -2.046   4.216   0.111
  120   HD23  LEU  14          HD23      LEU  14  -2.270   2.903  -1.046
  121    H    VAL  15           HN       VAL  15  -5.017   6.427  -2.633
  122    HA   VAL  15           HA       VAL  15  -7.739   6.388  -3.275
  123    HB   VAL  15           HB       VAL  15  -5.643   8.546  -3.755
  124   HG11  VAL  15          HG11      VAL  15  -7.501   8.901  -5.313
  125   HG12  VAL  15          HG12      VAL  15  -7.473  10.129  -4.047
  126   HG13  VAL  15          HG13      VAL  15  -8.644   8.808  -3.972
  127   HG21  VAL  15          HG21      VAL  15  -7.772   8.219  -1.655
  128   HG22  VAL  15          HG22      VAL  15  -6.671   9.589  -1.806
  129   HG23  VAL  15          HG23      VAL  15  -6.038   7.986  -1.434
  130    H    GLU  16           HN       GLU  16  -5.083   5.493  -5.194
  131    HA   GLU  16           HA       GLU  16  -6.441   6.032  -7.672
  132    HB2  GLU  16           HB2      GLU  16  -3.952   6.235  -7.524
  133    HB3  GLU  16           HB1      GLU  16  -3.854   4.505  -7.231
  134    HG2  GLU  16           HG2      GLU  16  -4.738   4.045  -9.435
  135    HG3  GLU  16           HG1      GLU  16  -4.983   5.765  -9.726
  136    H    SER  17           HN       SER  17  -5.380   3.108  -5.871
  137    HA   SER  17           HA       SER  17  -6.631   1.293  -7.612
  138    HB2  SER  17           HB2      SER  17  -6.032   0.855  -4.676
  139    HB3  SER  17           HB1      SER  17  -6.089  -0.384  -5.933
  140    HG   SER  17           HG       SER  17  -4.383   1.204  -6.887
  141    H    ALA  18           HN       ALA  18  -7.797   2.962  -4.724
  142    HA   ALA  18           HA       ALA  18 -10.400   1.610  -4.962
  143    HB1  ALA  18           HB1      ALA  18 -10.807   2.327  -2.686
  144    HB2  ALA  18           HB2      ALA  18  -9.253   3.166  -2.668
  145    HB3  ALA  18           HB3      ALA  18  -9.310   1.408  -2.816
  146    H    GLY  19           HN       GLY  19  -9.409   3.910  -6.552
  147    HA2  GLY  19           HA2      GLY  19 -11.275   5.993  -5.716
  148    HA3  GLY  19           HA1      GLY  19 -10.195   6.064  -7.109
  149    H    GLU  20           HN       GLU  20 -11.155   3.256  -7.653
  150    HA   GLU  20           HA       GLU  20 -13.375   4.106  -9.314
  151    HB2  GLU  20           HB2      GLU  20 -11.289   2.032  -9.566
  152    HB3  GLU  20           HB1      GLU  20 -12.818   1.760 -10.401
  153    HG2  GLU  20           HG2      GLU  20 -11.114   2.793 -11.849
  154    HG3  GLU  20           HG1      GLU  20 -12.541   3.797 -11.659
  155    H    THR  21           HN       THR  21 -13.201   2.840  -6.436
  156    HA   THR  21           HA       THR  21 -15.487   1.046  -6.741
  157    HB   THR  21           HB       THR  21 -15.100   0.968  -4.165
  158    HG1  THR  21           HG1      THR  21 -13.424   2.099  -3.470
  159   HG21  THR  21          HG21      THR  21 -13.323  -0.724  -4.403
  160   HG22  THR  21          HG22      THR  21 -12.983  -0.143  -6.032
  161   HG23  THR  21          HG23      THR  21 -14.535  -0.902  -5.672
  162    H    ASP  22           HN       ASP  22 -15.113   2.963  -4.097
  163    HA   ASP  22           HA       ASP  22 -17.341   4.714  -4.973
  164    HB2  ASP  22           HB2      ASP  22 -17.785   3.595  -2.802
  165    HB3  ASP  22           HB1      ASP  22 -16.315   4.312  -2.144
  166    H    GLY  23           HN       GLY  23 -14.408   4.776  -3.017
  167    HA2  GLY  23           HA2      GLY  23 -12.570   6.164  -3.726
  168    HA3  GLY  23           HA1      GLY  23 -13.754   7.339  -4.283
  169    H    THR  24           HN       THR  24 -15.433   7.697  -2.263
  170    HA   THR  24           HA       THR  24 -13.667   9.065  -0.426
  171    HB   THR  24           HB       THR  24 -16.674   9.329  -0.704
  172    HG1  THR  24           HG1      THR  24 -16.065  10.052  -2.559
  173   HG21  THR  24          HG21      THR  24 -14.573  11.179   0.457
  174   HG22  THR  24          HG22      THR  24 -15.725  10.227   1.396
  175   HG23  THR  24          HG23      THR  24 -16.300  11.520   0.345
  176    H    ASP  25           HN       ASP  25 -13.095   7.114   0.555
  177    HA   ASP  25           HA       ASP  25 -14.749   6.555   2.919
  178    HB2  ASP  25           HB2      ASP  25 -15.204   4.700   1.239
  179    HB3  ASP  25           HB1      ASP  25 -13.497   4.293   1.314
  180    H    LEU  26           HN       LEU  26 -11.822   5.526   1.280
  181    HA   LEU  26           HA       LEU  26 -10.277   5.787   3.753
  182    HB2  LEU  26           HB2      LEU  26  -8.592   4.509   2.753
  183    HB3  LEU  26           HB1      LEU  26 -10.074   3.814   2.147
  184    HG   LEU  26           HG       LEU  26  -8.276   5.672   0.585
  185   HD11  LEU  26          HD11      LEU  26  -7.628   3.667  -0.642
  186   HD12  LEU  26          HD12      LEU  26  -8.542   2.695   0.523
  187   HD13  LEU  26          HD13      LEU  26  -7.149   3.632   1.053
  188   HD21  LEU  26          HD21      LEU  26 -10.513   5.786  -0.312
  189   HD22  LEU  26          HD22      LEU  26 -10.658   4.021  -0.271
  190   HD23  LEU  26          HD23      LEU  26  -9.522   4.789  -1.376
  191    H    SER  27           HN       SER  27 -11.366   7.946   2.046
  192    HA   SER  27           HA       SER  27  -9.274   9.298   0.733
  193    HB2  SER  27           HB2      SER  27 -11.080  11.176   0.906
  194    HB3  SER  27           HB1      SER  27 -11.380   9.764  -0.109
  195    HG   SER  27           HG       SER  27 -12.698  10.638   2.077
  196    H    GLY  28           HN       GLY  28  -7.736  10.434   1.600
  197    HA2  GLY  28           HA2      GLY  28  -6.678  11.959   3.008
  198    HA3  GLY  28           HA1      GLY  28  -8.167  12.083   3.934
  199    H    ASP  29           HN       ASP  29  -8.703   9.928   5.083
  200    HA   ASP  29           HA       ASP  29  -6.235   8.978   6.309
  201    HB2  ASP  29           HB2      ASP  29  -7.293   8.781   8.488
  202    HB3  ASP  29           HB1      ASP  29  -7.447  10.427   7.901
  203    H    PHE  30           HN       PHE  30  -5.958   7.021   6.595
  204    HA   PHE  30           HA       PHE  30  -7.843   4.874   6.176
  205    HB2  PHE  30           HB2      PHE  30  -7.025   4.101   3.949
  206    HB3  PHE  30           HB1      PHE  30  -7.604   5.739   3.876
  207    HD1  PHE  30           HD2      PHE  30  -6.077   7.664   3.666
  208    HD2  PHE  30           HD1      PHE  30  -4.620   3.665   3.569
  209    HE1  PHE  30           HE2      PHE  30  -3.988   8.441   2.629
  210    HE2  PHE  30           HE1      PHE  30  -2.536   4.448   2.527
  211    HZ   PHE  30           HZ       PHE  30  -2.108   6.904   2.375
  212    H    LEU  31           HN       LEU  31  -4.654   6.147   6.380
  213    HA   LEU  31           HA       LEU  31  -2.940   4.101   6.176
  214    HB2  LEU  31           HB2      LEU  31  -2.443   6.465   6.135
  215    HB3  LEU  31           HB1      LEU  31  -2.789   6.585   7.840
  216    HG   LEU  31           HG       LEU  31  -0.787   5.306   8.379
  217   HD11  LEU  31          HD11      LEU  31  -0.374   5.190   5.396
  218   HD12  LEU  31          HD12      LEU  31  -0.791   3.822   6.426
  219   HD13  LEU  31          HD13      LEU  31   0.760   4.634   6.624
  220   HD21  LEU  31          HD21      LEU  31  -0.613   7.714   8.072
  221   HD22  LEU  31          HD22      LEU  31  -0.276   7.475   6.357
  222   HD23  LEU  31          HD23      LEU  31   0.863   6.892   7.570
  223    H    ASP  32           HN       ASP  32  -4.571   5.088   9.209
  224    HA   ASP  32           HA       ASP  32  -3.158   2.852  10.467
  225    HB2  ASP  32           HB2      ASP  32  -4.606   5.161  11.774
  226    HB3  ASP  32           HB1      ASP  32  -3.891   3.815  12.652
  227    H    LEU  33           HN       LEU  33  -5.886   3.178   8.890
  228    HA   LEU  33           HA       LEU  33  -7.573   1.588  10.666
  229    HB2  LEU  33           HB2      LEU  33  -8.023   2.643   7.854
  230    HB3  LEU  33           HB1      LEU  33  -9.173   1.641   8.689
  231    HG   LEU  33           HG       LEU  33  -9.376   3.511  10.399
  232   HD11  LEU  33          HD11      LEU  33  -7.311   4.688   9.913
  233   HD12  LEU  33          HD12      LEU  33  -8.710   5.742   9.705
  234   HD13  LEU  33          HD13      LEU  33  -7.897   5.065   8.294
  235   HD21  LEU  33          HD21      LEU  33 -10.143   4.092   7.548
  236   HD22  LEU  33          HD22      LEU  33 -10.850   4.838   8.983
  237   HD23  LEU  33          HD23      LEU  33 -11.050   3.109   8.698
  238    H    ARG  34           HN       ARG  34  -8.232  -0.576   9.923
  239    HA   ARG  34           HA       ARG  34  -6.073  -1.814   8.487
  240    HB2  ARG  34           HB2      ARG  34  -7.063  -3.025  10.393
  241    HB3  ARG  34           HB1      ARG  34  -8.630  -3.036   9.592
  242    HG2  ARG  34           HG2      ARG  34  -7.877  -4.494   7.926
  243    HG3  ARG  34           HG1      ARG  34  -6.194  -4.290   8.387
  244    HD2  ARG  34           HD2      ARG  34  -7.042  -6.352   8.949
  245    HD3  ARG  34           HD1      ARG  34  -6.648  -5.503  10.454
  246    HE   ARG  34           HE       ARG  34  -9.356  -5.099  10.015
  247   HH11  ARG  34          HH11      ARG  34  -7.274  -7.935  10.571
  248   HH12  ARG  34          HH12      ARG  34  -8.562  -8.928  11.084
  249   HH21  ARG  34          HH21      ARG  34 -11.067  -6.443  10.729
  250   HH22  ARG  34          HH22      ARG  34 -10.761  -8.040  11.245
  251    H    PHE  35           HN       PHE  35  -6.314  -3.000   6.489
  252    HA   PHE  35           HA       PHE  35  -7.550  -1.659   4.409
  253    HB2  PHE  35           HB2      PHE  35  -7.007  -4.633   4.455
  254    HB3  PHE  35           HB1      PHE  35  -7.203  -3.629   3.024
  255    HD1  PHE  35           HD2      PHE  35  -5.483  -1.906   2.497
  256    HD2  PHE  35           HD1      PHE  35  -5.004  -4.787   5.576
  257    HE1  PHE  35           HE2      PHE  35  -3.058  -1.485   2.505
  258    HE2  PHE  35           HE1      PHE  35  -2.631  -4.394   5.613
  259    HZ   PHE  35           HZ       PHE  35  -1.614  -2.732   4.069
  260    H    GLU  36           HN       GLU  36  -8.771  -4.389   6.216
  261    HA   GLU  36           HA       GLU  36 -11.179  -4.910   4.987
  262    HB2  GLU  36           HB2      GLU  36 -10.651  -4.902   7.960
  263    HB3  GLU  36           HB1      GLU  36 -11.906  -5.808   7.126
  264    HG2  GLU  36           HG2      GLU  36  -8.943  -6.207   6.739
  265    HG3  GLU  36           HG1      GLU  36  -9.969  -7.173   7.786
  266    H    ASP  37           HN       ASP  37 -10.347  -2.299   7.207
  267    HA   ASP  37           HA       ASP  37 -13.076  -1.383   7.517
  268    HB2  ASP  37           HB2      ASP  37 -10.472  -0.015   8.229
  269    HB3  ASP  37           HB1      ASP  37 -12.071   0.573   8.642
  270    H    ILE  38           HN       ILE  38 -10.450  -0.814   5.356
  271    HA   ILE  38           HA       ILE  38 -11.780   1.593   4.376
  272    HB   ILE  38           HB       ILE  38  -9.779   2.060   3.013
  273   HG12  ILE  38          HG12      ILE  38  -8.537  -0.351   4.375
  274   HG13  ILE  38          HG11      ILE  38  -8.993  -0.331   2.684
  275   HG21  ILE  38          HG21      ILE  38  -9.190   1.565   5.924
  276   HG22  ILE  38          HG22      ILE  38  -9.937   3.005   5.234
  277   HG23  ILE  38          HG23      ILE  38  -8.257   2.618   4.859
  278   HD11  ILE  38          HD11      ILE  38  -6.623  -0.025   2.915
  279   HD12  ILE  38          HD12      ILE  38  -6.860   1.339   4.008
  280   HD13  ILE  38          HD13      ILE  38  -7.338   1.472   2.315
  281    H    GLY  39           HN       GLY  39 -12.463  -1.313   3.949
  282    HA2  GLY  39           HA2      GLY  39 -13.454  -2.579   2.321
  283    HA3  GLY  39           HA1      GLY  39 -13.720  -1.061   1.475
  284    H    TYR  40           HN       TYR  40 -10.827  -2.954   2.278
  285    HA   TYR  40           HA       TYR  40 -10.106  -2.611  -0.485
  286    HB2  TYR  40           HB2      TYR  40  -8.396  -2.592   1.896
  287    HB3  TYR  40           HB1      TYR  40  -7.833  -3.680   0.670
  288    HD1  TYR  40           HD2      TYR  40  -9.613  -0.446   0.405
  289    HD2  TYR  40           HD1      TYR  40  -6.171  -2.728  -0.507
  290    HE1  TYR  40           HE2      TYR  40  -8.691   1.454  -0.839
  291    HE2  TYR  40           HE1      TYR  40  -5.240  -0.850  -1.738
  292    HH   TYR  40           HH       TYR  40  -5.935   1.195  -2.833
  293    H    ASP  41           HN       ASP  41 -10.495  -3.926  -1.821
  294    HA   ASP  41           HA       ASP  41 -10.978  -6.725  -1.285
  295    HB2  ASP  41           HB2      ASP  41 -12.375  -5.444  -2.932
  296    HB3  ASP  41           HB1      ASP  41 -10.894  -5.140  -3.841
  297    H    SER  42           HN       SER  42  -9.905  -8.283  -2.715
  298    HA   SER  42           HA       SER  42  -7.194  -8.343  -2.248
  299    HB2  SER  42           HB2      SER  42  -7.214 -10.343  -3.754
  300    HB3  SER  42           HB1      SER  42  -8.407 -10.381  -2.462
  301    H    LEU  43           HN       LEU  43  -8.911  -7.518  -5.244
  302    HA   LEU  43           HA       LEU  43  -6.543  -7.143  -6.776
  303    HB2  LEU  43           HB2      LEU  43  -8.549  -7.481  -7.995
  304    HB3  LEU  43           HB1      LEU  43  -9.357  -6.158  -7.178
  305    HG   LEU  43           HG       LEU  43  -7.892  -4.550  -8.334
  306   HD11  LEU  43          HD11      LEU  43  -6.785  -6.920  -9.838
  307   HD12  LEU  43          HD12      LEU  43  -5.924  -5.901  -8.674
  308   HD13  LEU  43          HD13      LEU  43  -6.477  -5.212 -10.185
  309   HD21  LEU  43          HD21      LEU  43  -9.332  -6.449 -10.167
  310   HD22  LEU  43          HD22      LEU  43  -8.864  -4.793 -10.563
  311   HD23  LEU  43          HD23      LEU  43 -10.046  -5.097  -9.288
  312    H    ALA  44           HN       ALA  44  -8.501  -4.988  -4.856
  313    HA   ALA  44           HA       ALA  44  -7.355  -2.589  -5.745
  314    HB1  ALA  44           HB1      ALA  44  -8.592  -3.158  -3.049
  315    HB2  ALA  44           HB2      ALA  44  -9.467  -2.672  -4.501
  316    HB3  ALA  44           HB3      ALA  44  -8.316  -1.566  -3.753
  317    H    LEU  45           HN       LEU  45  -6.587  -4.585  -2.917
  318    HA   LEU  45           HA       LEU  45  -4.550  -2.881  -1.964
  319    HB2  LEU  45           HB2      LEU  45  -5.793  -4.577  -0.596
  320    HB3  LEU  45           HB1      LEU  45  -4.899  -5.839  -1.408
  321    HG   LEU  45           HG       LEU  45  -3.538  -3.720   0.284
  322   HD11  LEU  45          HD11      LEU  45  -5.152  -4.962   1.644
  323   HD12  LEU  45          HD12      LEU  45  -3.466  -5.279   2.050
  324   HD13  LEU  45          HD13      LEU  45  -4.392  -6.481   1.129
  325   HD21  LEU  45          HD21      LEU  45  -2.102  -4.934  -1.256
  326   HD22  LEU  45          HD22      LEU  45  -2.721  -6.458  -0.620
  327   HD23  LEU  45          HD23      LEU  45  -1.766  -5.388   0.427
  328    H    MET  46           HN       MET  46  -4.441  -5.748  -4.004
  329    HA   MET  46           HA       MET  46  -1.617  -5.926  -4.048
  330    HB2  MET  46           HB2      MET  46  -1.851  -7.543  -5.803
  331    HB3  MET  46           HB1      MET  46  -3.124  -7.814  -4.628
  332    HG2  MET  46           HG2      MET  46  -4.326  -8.021  -6.562
  333    HG3  MET  46           HG1      MET  46  -4.464  -6.285  -6.211
  334    HE1  MET  46           HE1      MET  46  -1.236  -8.050  -7.589
  335    HE2  MET  46           HE2      MET  46  -1.469  -7.926  -9.332
  336    HE3  MET  46           HE3      MET  46  -2.517  -8.972  -8.376
  337    H    GLU  47           HN       GLU  47  -3.924  -4.114  -5.969
  338    HA   GLU  47           HA       GLU  47  -2.052  -3.503  -7.998
  339    HB2  GLU  47           HB2      GLU  47  -4.502  -3.510  -8.398
  340    HB3  GLU  47           HB1      GLU  47  -4.664  -2.117  -7.337
  341    HG2  GLU  47           HG2      GLU  47  -3.317  -0.796  -8.800
  342    HG3  GLU  47           HG1      GLU  47  -3.040  -2.172  -9.863
  343    H    THR  48           HN       THR  48  -3.158  -1.919  -5.037
  344    HA   THR  48           HA       THR  48  -1.788   0.495  -5.249
  345    HB   THR  48           HB       THR  48  -2.183  -1.211  -2.766
  346    HG1  THR  48           HG1      THR  48  -3.935   0.228  -4.352
  347   HG21  THR  48          HG21      THR  48  -0.658   0.674  -2.435
  348   HG22  THR  48          HG22      THR  48  -2.180   0.932  -1.578
  349   HG23  THR  48          HG23      THR  48  -1.866   1.774  -3.097
  350    H    ALA  49           HN       ALA  49  -0.815  -2.628  -3.882
  351    HA   ALA  49           HA       ALA  49   1.793  -2.019  -3.139
  352    HB1  ALA  49           HB1      ALA  49   0.657  -4.086  -2.467
  353    HB2  ALA  49           HB2      ALA  49   2.224  -4.408  -3.221
  354    HB3  ALA  49           HB3      ALA  49   0.743  -4.660  -4.138
  355    H    ALA  50           HN       ALA  50   0.670  -3.562  -6.148
  356    HA   ALA  50           HA       ALA  50   3.164  -3.827  -7.386
  357    HB1  ALA  50           HB1      ALA  50   1.931  -4.182  -9.448
  358    HB2  ALA  50           HB2      ALA  50   0.481  -3.497  -8.715
  359    HB3  ALA  50           HB3      ALA  50   1.145  -5.012  -8.104
  360    H    ARG  51           HN       ARG  51   0.929  -1.186  -7.356
  361    HA   ARG  51           HA       ARG  51   1.887   0.445  -9.427
  362    HB2  ARG  51           HB2      ARG  51  -0.202   0.469  -7.786
  363    HB3  ARG  51           HB1      ARG  51   0.827   1.499  -6.825
  364    HG2  ARG  51           HG2      ARG  51   0.039   2.086  -9.663
  365    HG3  ARG  51           HG1      ARG  51  -0.869   2.624  -8.261
  366    HD2  ARG  51           HD2      ARG  51   1.214   3.797  -7.503
  367    HD3  ARG  51           HD1      ARG  51   1.921   3.393  -9.073
  368    HE   ARG  51           HE       ARG  51  -0.631   4.576  -9.345
  369   HH11  ARG  51          HH11      ARG  51   2.750   5.450  -8.740
  370   HH12  ARG  51          HH12      ARG  51   2.631   7.007  -9.423
  371   HH21  ARG  51          HH21      ARG  51  -0.857   6.700 -10.138
  372   HH22  ARG  51          HH22      ARG  51   0.488   7.777 -10.194
  373    H    LEU  52           HN       LEU  52   2.568   0.397  -5.953
  374    HA   LEU  52           HA       LEU  52   4.703   2.273  -6.071
  375    HB2  LEU  52           HB2      LEU  52   3.868   0.376  -3.896
  376    HB3  LEU  52           HB1      LEU  52   5.048   1.665  -3.715
  377    HG   LEU  52           HG       LEU  52   2.138   2.080  -4.424
  378   HD11  LEU  52          HD11      LEU  52   3.616   2.556  -1.868
  379   HD12  LEU  52          HD12      LEU  52   2.402   1.305  -2.143
  380   HD13  LEU  52          HD13      LEU  52   1.942   3.013  -2.178
  381   HD21  LEU  52          HD21      LEU  52   4.315   4.064  -3.763
  382   HD22  LEU  52          HD22      LEU  52   2.615   4.448  -4.036
  383   HD23  LEU  52          HD23      LEU  52   3.595   3.803  -5.353
  384    H    GLU  53           HN       GLU  53   4.595  -1.263  -5.875
  385    HA   GLU  53           HA       GLU  53   7.264  -1.860  -5.416
  386    HB2  GLU  53           HB2      GLU  53   5.286  -3.350  -7.133
  387    HB3  GLU  53           HB1      GLU  53   6.856  -3.981  -6.688
  388    HG2  GLU  53           HG2      GLU  53   6.152  -3.934  -4.318
  389    HG3  GLU  53           HG1      GLU  53   4.580  -3.342  -4.841
  390    H    SER  54           HN       SER  54   5.649  -1.845  -8.559
  391    HA   SER  54           HA       SER  54   7.996  -2.287 -10.040
  392    HB2  SER  54           HB2      SER  54   5.671  -2.839 -10.799
  393    HB3  SER  54           HB1      SER  54   5.386  -1.118 -11.041
  394    HG   SER  54           HG       SER  54   7.606  -2.337 -12.235
  395    H    ARG  55           HN       ARG  55   6.501   0.620  -8.900
  396    HA   ARG  55           HA       ARG  55   7.661   2.434 -10.734
  397    HB2  ARG  55           HB2      ARG  55   5.673   2.821  -9.171
  398    HB3  ARG  55           HB1      ARG  55   6.836   3.070  -7.891
  399    HG2  ARG  55           HG2      ARG  55   6.693   4.750 -10.402
  400    HG3  ARG  55           HG1      ARG  55   5.890   5.157  -8.891
  401    HD2  ARG  55           HD2      ARG  55   8.059   5.281  -7.782
  402    HD3  ARG  55           HD1      ARG  55   8.858   4.831  -9.285
  403    HE   ARG  55           HE       ARG  55   7.212   7.248  -9.173
  404   HH11  ARG  55          HH11      ARG  55  10.382   5.731  -9.558
  405   HH12  ARG  55          HH12      ARG  55  11.191   7.154 -10.019
  406   HH21  ARG  55          HH21      ARG  55   8.312   9.241  -9.879
  407   HH22  ARG  55          HH22      ARG  55   9.988   9.168 -10.209
  408    H    TYR  56           HN       TYR  56   8.771   1.159  -7.621
  409    HA   TYR  56           HA       TYR  56  11.168   2.827  -7.916
  410    HB2  TYR  56           HB2      TYR  56  10.198   1.370  -5.465
  411    HB3  TYR  56           HB1      TYR  56  11.641   2.371  -5.560
  412    HD1  TYR  56           HD2      TYR  56  11.324   4.828  -6.278
  413    HD2  TYR  56           HD1      TYR  56   8.154   2.338  -4.922
  414    HE1  TYR  56           HE2      TYR  56  10.028   6.806  -5.754
  415    HE2  TYR  56           HE1      TYR  56   6.819   4.321  -4.379
  416    HH   TYR  56           HH       TYR  56   7.368   7.254  -5.552
  417    H    GLY  57           HN       GLY  57  10.169  -0.368  -8.263
  418    HA2  GLY  57           HA2      GLY  57  11.497  -2.016  -9.255
  419    HA3  GLY  57           HA1      GLY  57  12.936  -1.140  -8.744
  420    H    VAL  58           HN       VAL  58  10.147  -2.179  -6.850
  421    HA   VAL  58           HA       VAL  58  11.930  -3.987  -5.405
  422    HB   VAL  58           HB       VAL  58  10.759  -3.483  -3.271
  423   HG11  VAL  58          HG11      VAL  58  12.855  -2.367  -3.713
  424   HG12  VAL  58          HG12      VAL  58  11.770  -1.283  -2.841
  425   HG13  VAL  58          HG13      VAL  58  12.017  -1.076  -4.576
  426   HG21  VAL  58          HG21      VAL  58   8.639  -2.668  -4.157
  427   HG22  VAL  58          HG22      VAL  58   9.444  -1.251  -4.827
  428   HG23  VAL  58          HG23      VAL  58   9.352  -1.469  -3.078
  429    H    SER  59           HN       SER  59  10.446  -5.448  -3.879
  430    HA   SER  59           HA       SER  59   7.992  -6.161  -5.242
  431    HB2  SER  59           HB2      SER  59  10.271  -8.096  -4.773
  432    HB3  SER  59           HB1      SER  59   8.648  -8.555  -5.284
  433    HG   SER  59           HG       SER  59   8.947  -7.217  -7.114
  434    H    ILE  60           HN       ILE  60   6.504  -6.886  -3.935
  435    HA   ILE  60           HA       ILE  60   7.146  -7.314  -1.095
  436    HB   ILE  60           HB       ILE  60   4.508  -6.678  -2.462
  437   HG12  ILE  60          HG12      ILE  60   6.187  -4.992  -0.609
  438   HG13  ILE  60          HG11      ILE  60   6.129  -4.804  -2.361
  439   HG21  ILE  60          HG21      ILE  60   5.089  -6.976   0.491
  440   HG22  ILE  60          HG22      ILE  60   4.132  -8.082  -0.494
  441   HG23  ILE  60          HG23      ILE  60   3.558  -6.439  -0.204
  442   HD11  ILE  60          HD11      ILE  60   3.748  -4.264  -2.189
  443   HD12  ILE  60          HD12      ILE  60   4.778  -3.166  -1.267
  444   HD13  ILE  60          HD13      ILE  60   3.862  -4.425  -0.430
  445    HA   PRO  61           HA       PRO  61   6.358 -11.695  -1.818
  446    HB2  PRO  61           HB2      PRO  61   5.553 -11.576   1.061
  447    HB3  PRO  61           HB1      PRO  61   6.699 -12.663   0.259
  448    HG2  PRO  61           HG2      PRO  61   7.587 -10.699   1.794
  449    HG3  PRO  61           HG1      PRO  61   8.405 -11.091   0.269
  450    HD2  PRO  61           HD2      PRO  61   6.519  -8.855   0.889
  451    HD3  PRO  61           HD1      PRO  61   8.005  -8.838  -0.091
  452    H    ASP  62           HN       ASP  62   4.557 -12.279  -2.750
  453    HA   ASP  62           HA       ASP  62   2.117 -10.900  -2.537
  454    HB2  ASP  62           HB2      ASP  62   1.111 -12.558  -3.991
  455    HB3  ASP  62           HB1      ASP  62   2.711 -12.128  -4.571
  456    H    ASP  63           HN       ASP  63   3.207 -13.723  -0.811
  457    HA   ASP  63           HA       ASP  63   0.599 -14.310   0.241
  458    HB2  ASP  63           HB2      ASP  63   2.392 -16.031   0.100
  459    HB3  ASP  63           HB1      ASP  63   3.318 -15.138   1.298
  460    H    VAL  64           HN       VAL  64   3.217 -12.235   1.049
  461    HA   VAL  64           HA       VAL  64   2.247 -11.646   3.694
  462    HB   VAL  64           HB       VAL  64   4.434 -10.271   2.081
  463   HG11  VAL  64          HG11      VAL  64   3.718  -9.912   4.994
  464   HG12  VAL  64          HG12      VAL  64   3.474  -8.720   3.718
  465   HG13  VAL  64          HG13      VAL  64   5.111  -9.199   4.179
  466   HG21  VAL  64          HG21      VAL  64   4.987 -12.553   2.696
  467   HG22  VAL  64          HG22      VAL  64   4.587 -12.211   4.379
  468   HG23  VAL  64          HG23      VAL  64   5.962 -11.409   3.620
  469    H    ALA  65           HN       ALA  65   1.814 -10.383   0.488
  470    HA   ALA  65           HA       ALA  65   0.698  -7.890   1.193
  471    HB1  ALA  65           HB1      ALA  65   1.325  -8.428  -1.134
  472    HB2  ALA  65           HB2      ALA  65  -0.332  -7.846  -1.020
  473    HB3  ALA  65           HB3      ALA  65  -0.022  -9.565  -1.232
  474    H    GLY  66           HN       GLY  66  -0.545 -11.076   1.430
  475    HA2  GLY  66           HA2      GLY  66  -3.204 -10.036   2.085
  476    HA3  GLY  66           HA1      GLY  66  -2.812 -11.724   1.772
  477    H    ARG  67           HN       ARG  67  -0.457 -10.293   3.619
  478    HA   ARG  67           HA       ARG  67  -1.642 -11.351   6.093
  479    HB2  ARG  67           HB2      ARG  67   0.288 -12.617   5.044
  480    HB3  ARG  67           HB1      ARG  67   1.332 -11.269   5.434
  481    HG2  ARG  67           HG2      ARG  67   0.490 -11.609   7.855
  482    HG3  ARG  67           HG1      ARG  67  -0.119 -13.157   7.274
  483    HD2  ARG  67           HD2      ARG  67   2.725 -12.187   7.324
  484    HD3  ARG  67           HD1      ARG  67   2.026 -13.530   8.222
  485    HE   ARG  67           HE       ARG  67   1.602 -14.336   5.755
  486   HH11  ARG  67          HH11      ARG  67   4.511 -12.924   7.241
  487   HH12  ARG  67          HH12      ARG  67   5.601 -13.706   6.179
  488   HH21  ARG  67          HH21      ARG  67   3.112 -15.349   4.247
  489   HH22  ARG  67          HH22      ARG  67   4.778 -15.073   4.376
  490    H    VAL  68           HN       VAL  68  -0.945  -8.602   4.535
  491    HA   VAL  68           HA       VAL  68   0.315  -7.184   6.693
  492    HB   VAL  68           HB       VAL  68  -0.065  -5.109   5.246
  493   HG11  VAL  68          HG11      VAL  68   1.460  -7.396   4.021
  494   HG12  VAL  68          HG12      VAL  68   2.053  -6.285   5.256
  495   HG13  VAL  68          HG13      VAL  68   1.677  -5.686   3.640
  496   HG21  VAL  68          HG21      VAL  68  -1.968  -5.926   3.952
  497   HG22  VAL  68          HG22      VAL  68  -0.951  -7.175   3.232
  498   HG23  VAL  68          HG23      VAL  68  -0.633  -5.473   2.894
  499    H    ASP  69           HN       ASP  69  -0.557  -5.895   8.086
  500    HA   ASP  69           HA       ASP  69  -3.382  -6.343   8.554
  501    HB2  ASP  69           HB2      ASP  69  -1.822  -6.811  10.327
  502    HB3  ASP  69           HB1      ASP  69  -1.211  -5.167  10.271
  503    H    THR  70           HN       THR  70  -1.233  -3.484   8.309
  504    HA   THR  70           HA       THR  70  -3.659  -1.893   7.789
  505    HB   THR  70           HB       THR  70  -2.570  -0.016   9.062
  506    HG1  THR  70           HG1      THR  70  -0.972  -1.967  10.363
  507   HG21  THR  70          HG21      THR  70  -3.198  -0.847  11.302
  508   HG22  THR  70          HG22      THR  70  -3.224  -2.493  10.667
  509   HG23  THR  70          HG23      THR  70  -4.392  -1.305  10.085
  510    HA   PRO  71           HA       PRO  71  -1.262  -0.036   4.442
  511    HB2  PRO  71           HB2      PRO  71  -2.296   2.561   5.502
  512    HB3  PRO  71           HB1      PRO  71  -2.340   1.935   3.848
  513    HG2  PRO  71           HG2      PRO  71  -4.536   1.940   5.322
  514    HG3  PRO  71           HG1      PRO  71  -4.151   0.557   4.275
  515    HD2  PRO  71           HD2      PRO  71  -3.864   0.836   7.236
  516    HD3  PRO  71           HD1      PRO  71  -4.397  -0.563   6.283
  517    H    ARG  72           HN       ARG  72  -1.315   1.427   7.656
  518    HA   ARG  72           HA       ARG  72   1.071   2.798   7.801
  519    HB2  ARG  72           HB2      ARG  72  -0.531   2.701   9.650
  520    HB3  ARG  72           HB1      ARG  72  -0.249   0.985   9.852
  521    HG2  ARG  72           HG2      ARG  72   0.845   2.171  11.619
  522    HG3  ARG  72           HG1      ARG  72   2.073   1.496  10.554
  523    HD2  ARG  72           HD2      ARG  72   2.705   3.729  11.163
  524    HD3  ARG  72           HD1      ARG  72   2.272   3.699   9.458
  525    HE   ARG  72           HE       ARG  72   0.061   4.450  11.124
  526   HH11  ARG  72          HH11      ARG  72   3.016   5.708   9.574
  527   HH12  ARG  72          HH12      ARG  72   2.448   7.313   9.518
  528   HH21  ARG  72          HH21      ARG  72  -0.695   6.646  11.080
  529   HH22  ARG  72          HH22      ARG  72   0.294   7.876  10.425
  530    H    GLU  73           HN       GLU  73   0.540  -0.623   8.521
  531    HA   GLU  73           HA       GLU  73   3.235  -1.379   8.818
  532    HB2  GLU  73           HB2      GLU  73   1.308  -2.554   9.751
  533    HB3  GLU  73           HB1      GLU  73   0.790  -2.988   8.134
  534    HG2  GLU  73           HG2      GLU  73   2.824  -4.310   7.862
  535    HG3  GLU  73           HG1      GLU  73   3.293  -3.894   9.514
  536    H    LEU  74           HN       LEU  74   1.032  -1.437   6.087
  537    HA   LEU  74           HA       LEU  74   2.672  -2.894   4.285
  538    HB2  LEU  74           HB2      LEU  74   0.179  -2.605   4.142
  539    HB3  LEU  74           HB1      LEU  74   0.417  -0.938   3.711
  540    HG   LEU  74           HG       LEU  74  -0.252  -2.534   1.862
  541   HD11  LEU  74          HD11      LEU  74   1.220  -1.546   0.177
  542   HD12  LEU  74          HD12      LEU  74   2.308  -0.989   1.451
  543   HD13  LEU  74          HD13      LEU  74   0.672  -0.338   1.339
  544   HD21  LEU  74          HD21      LEU  74   1.152  -4.412   2.449
  545   HD22  LEU  74          HD22      LEU  74   2.606  -3.458   2.148
  546   HD23  LEU  74          HD23      LEU  74   1.525  -3.864   0.814
  547    H    LEU  75           HN       LEU  75   2.196   0.563   4.821
  548    HA   LEU  75           HA       LEU  75   3.913   1.692   2.940
  549    HB2  LEU  75           HB2      LEU  75   2.382   2.945   4.410
  550    HB3  LEU  75           HB1      LEU  75   3.349   2.510   5.798
  551    HG   LEU  75           HG       LEU  75   5.228   3.833   4.818
  552   HD11  LEU  75          HD11      LEU  75   4.545   3.762   2.500
  553   HD12  LEU  75          HD12      LEU  75   4.713   5.425   3.060
  554   HD13  LEU  75          HD13      LEU  75   3.108   4.713   2.881
  555   HD21  LEU  75          HD21      LEU  75   4.274   6.006   5.399
  556   HD22  LEU  75          HD22      LEU  75   3.788   4.762   6.550
  557   HD23  LEU  75          HD23      LEU  75   2.653   5.316   5.319
  558    H    ASP  76           HN       ASP  76   4.458   0.713   6.244
  559    HA   ASP  76           HA       ASP  76   7.154   1.214   6.581
  560    HB2  ASP  76           HB2      ASP  76   5.601   0.695   8.387
  561    HB3  ASP  76           HB1      ASP  76   5.412  -0.942   7.777
  562    H    LEU  77           HN       LEU  77   5.534  -1.662   5.357
  563    HA   LEU  77           HA       LEU  77   7.804  -3.314   5.122
  564    HB2  LEU  77           HB2      LEU  77   5.434  -4.108   5.135
  565    HB3  LEU  77           HB1      LEU  77   5.206  -3.406   3.556
  566    HG   LEU  77           HG       LEU  77   5.425  -5.899   3.571
  567   HD11  LEU  77          HD11      LEU  77   7.561  -4.498   1.998
  568   HD12  LEU  77          HD12      LEU  77   5.883  -4.741   1.512
  569   HD13  LEU  77          HD13      LEU  77   6.956  -6.127   1.701
  570   HD21  LEU  77          HD21      LEU  77   7.047  -6.136   5.354
  571   HD22  LEU  77          HD22      LEU  77   8.271  -5.335   4.371
  572   HD23  LEU  77          HD23      LEU  77   7.632  -6.905   3.879
  573    H    ILE  78           HN       ILE  78   6.209  -1.126   2.811
  574    HA   ILE  78           HA       ILE  78   7.978  -1.857   0.704
  575    HB   ILE  78           HB       ILE  78   6.249   0.645   0.875
  576   HG12  ILE  78          HG12      ILE  78   5.762  -2.062  -0.370
  577   HG13  ILE  78          HG11      ILE  78   4.903  -1.373   0.997
  578   HG21  ILE  78          HG21      ILE  78   8.082   0.851  -0.759
  579   HG22  ILE  78          HG22      ILE  78   6.526   0.749  -1.573
  580   HG23  ILE  78          HG23      ILE  78   7.584  -0.664  -1.514
  581   HD11  ILE  78          HD11      ILE  78   3.978   0.363  -0.482
  582   HD12  ILE  78          HD12      ILE  78   3.558  -1.271  -1.004
  583   HD13  ILE  78          HD13      ILE  78   4.821  -0.380  -1.848
  584    H    ASN  79           HN       ASN  79   7.896   0.681   3.099
  585    HA   ASN  79           HA       ASN  79  10.110   2.097   2.119
  586    HB2  ASN  79           HB2      ASN  79   8.937   1.940   4.895
  587    HB3  ASN  79           HB1      ASN  79  10.333   2.945   4.527
  588   HD21  ASN  79          HD21      ASN  79   7.787   3.911   5.435
  589   HD22  ASN  79          HD22      ASN  79   7.155   4.887   4.154
  590    H    GLY  80           HN       GLY  80   9.911  -0.721   4.140
  591    HA2  GLY  80           HA2      GLY  80  12.661  -0.844   4.796
  592    HA3  GLY  80           HA1      GLY  80  11.546  -2.209   4.775
  593    H    ALA  81           HN       ALA  81  10.791  -1.983   2.066
  594    HA   ALA  81           HA       ALA  81  12.903  -3.452   0.820
  595    HB1  ALA  81           HB1      ALA  81  10.302  -2.416  -0.348
  596    HB2  ALA  81           HB2      ALA  81  10.527  -3.979   0.418
  597    HB3  ALA  81           HB3      ALA  81  11.361  -3.613  -1.091
  598    H    LEU  82           HN       LEU  82  11.533  -0.235   0.442
  599    HA   LEU  82           HA       LEU  82  12.862   0.622  -1.847
  600    HB2  LEU  82           HB2      LEU  82  12.041   2.259   0.542
  601    HB3  LEU  82           HB1      LEU  82  12.537   2.914  -1.001
  602    HG   LEU  82           HG       LEU  82  10.072   1.294  -0.429
  603   HD11  LEU  82          HD11      LEU  82   8.902   3.330  -1.078
  604   HD12  LEU  82          HD12      LEU  82  10.451   4.152  -1.275
  605   HD13  LEU  82          HD13      LEU  82   9.949   3.588   0.318
  606   HD21  LEU  82          HD21      LEU  82  11.059   2.404  -3.051
  607   HD22  LEU  82          HD22      LEU  82   9.489   1.650  -2.775
  608   HD23  LEU  82          HD23      LEU  82  10.967   0.700  -2.614
  609    H    ALA  83           HN       ALA  83  13.946   0.535   1.455
  610    HA   ALA  83           HA       ALA  83  16.203   2.186   1.168
  611    HB1  ALA  83           HB1      ALA  83  15.213   1.610   3.334
  612    HB2  ALA  83           HB2      ALA  83  16.945   1.286   3.287
  613    HB3  ALA  83           HB3      ALA  83  15.792  -0.045   3.147
  614    H    GLU  84           HN       GLU  84  15.692  -0.868  -0.165
  615    HA   GLU  84           HA       GLU  84  18.560  -1.493  -0.230
  616    HB2  GLU  84           HB2      GLU  84  16.259  -3.180  -1.179
  617    HB3  GLU  84           HB1      GLU  84  17.935  -3.667  -1.032
  618    HG2  GLU  84           HG2      GLU  84  17.741  -3.355   1.422
  619    HG3  GLU  84           HG1      GLU  84  16.019  -3.036   1.189
  620    H    ALA  85           HN       ALA  85  15.745  -1.050  -2.370
  621    HA   ALA  85           HA       ALA  85  17.582  -1.196  -4.658
  622    HB1  ALA  85           HB1      ALA  85  14.615  -1.644  -4.678
  623    HB2  ALA  85           HB2      ALA  85  15.844  -2.909  -4.578
  624    HB3  ALA  85           HB3      ALA  85  15.737  -1.894  -6.016
  625    H    ALA  86           HN       ALA  86  15.679   1.124  -3.003
  626    HA   ALA  86           HA       ALA  86  15.499   2.709  -5.439
  627    HB1  ALA  86           HB1      ALA  86  13.383   2.450  -4.215
  628    HB2  ALA  86           HB2      ALA  86  13.923   4.130  -4.191
  629    HB3  ALA  86           HB3      ALA  86  14.138   3.113  -2.767
  630   H281  PSR  87          H28A      PSR  87  -7.606 -11.247  -7.488
  631   H282  PSR  87          H28B      PSR  87  -7.510  -9.943  -6.311
  632   H301  PSR  87          H30A      PSR  87  -4.141 -10.153  -7.615
  633   H302  PSR  87          H30B      PSR  87  -5.561  -9.142  -7.357
  634   H303  PSR  87          H30C      PSR  87  -5.612 -10.448  -8.562
  635   H311  PSR  87          H31A      PSR  87  -5.531 -11.110  -4.405
  636   H312  PSR  87          H31B      PSR  87  -5.400  -9.493  -5.106
  637   H313  PSR  87          H31C      PSR  87  -4.057 -10.634  -5.242
  638   H321  PSR  87          H32A      PSR  87  -4.052 -12.507  -6.854
  639   H331  PSR  87          H33A      PSR  87  -5.978 -13.849  -7.862
  640   H361  PSR  87          H36A      PSR  87  -4.667 -12.647  -4.313
  641   H371  PSR  87          H37A      PSR  87  -5.444 -15.401  -3.945
  642   H372  PSR  87          H37B      PSR  87  -4.686 -14.363  -2.746
  643   H381  PSR  87          H38A      PSR  87  -7.592 -14.228  -3.636
  644   H382  PSR  87          H38B      PSR  87  -6.965 -15.106  -2.246
  645   H411  PSR  87          H41A      PSR  87  -5.145 -12.494  -2.238
  646   H421  PSR  87          H42A      PSR  87  -6.319 -10.206  -1.467
  647   H422  PSR  87          H42B      PSR  87  -6.683 -11.286  -0.161
  648   H431  PSR  87          H43A      PSR  87  -4.229 -11.910  -0.163
  649   H432  PSR  87          H43B      PSR  87  -4.910 -10.544   0.714
  650   HC21  PSR  87          H2A       PSR  87  -1.775  -9.055  -2.779
  651   HC22  PSR  87          H2B       PSR  87  -2.664  -9.553  -4.201
  652   HC31  PSR  87          H3A       PSR  87  -1.316 -11.570  -4.382
  653   HC32  PSR  87          H3B       PSR  87  -0.414 -11.095  -2.929
  654   HC41  PSR  87          H4C       PSR  87   0.786 -10.480  -4.966
  655   HC42  PSR  87          H4A       PSR  87   0.290  -9.047  -4.068
  656   HC43  PSR  87          H4B       PSR  87  -0.606  -9.540  -5.504
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  21.016   7.759   1.056
    2    H2   MET   1           HT2      MET   1  21.376   8.533  -0.376
    3    H3   MET   1           HT3      MET   1  20.409   7.124  -0.378
    4    HA   MET   1           HA       MET   1  19.711   9.737   0.815
    5    HB2  MET   1           HB2      MET   1  18.694   8.361  -1.670
    6    HB3  MET   1           HB1      MET   1  17.860   9.699  -0.903
    7    HG2  MET   1           HG2      MET   1  20.650   9.787  -2.001
    8    HG3  MET   1           HG1      MET   1  19.208  10.380  -2.827
    9    HE1  MET   1           HE1      MET   1  20.427  12.708  -3.153
   10    HE2  MET   1           HE2      MET   1  21.839  12.094  -2.296
   11    HE3  MET   1           HE3      MET   1  21.127  13.639  -1.830
   12    H    ALA   2           HN       ALA   2  18.397   6.544  -0.142
   13    HA   ALA   2           HA       ALA   2  16.682   5.352   0.575
   14    HB1  ALA   2           HB1      ALA   2  17.300   6.525   3.301
   15    HB2  ALA   2           HB2      ALA   2  18.062   5.087   2.619
   16    HB3  ALA   2           HB3      ALA   2  16.336   5.081   2.996
   17    H    THR   3           HN       THR   3  15.416   6.673  -0.742
   18    HA   THR   3           HA       THR   3  13.879   8.838   0.380
   19    HB   THR   3           HB       THR   3  12.799   8.656  -1.939
   20    HG1  THR   3           HG1      THR   3  13.532   6.411  -2.131
   21   HG21  THR   3          HG21      THR   3  15.802   9.033  -1.765
   22   HG22  THR   3          HG22      THR   3  14.590  10.269  -1.424
   23   HG23  THR   3          HG23      THR   3  14.765   9.634  -3.059
   24    H    LEU   4           HN       LEU   4  12.303   8.241   1.784
   25    HA   LEU   4           HA       LEU   4  10.959   5.696   1.352
   26    HB2  LEU   4           HB2      LEU   4  10.936   7.486   3.770
   27    HB3  LEU   4           HB1      LEU   4  10.211   5.894   3.651
   28    HG   LEU   4           HG       LEU   4  13.148   6.558   3.626
   29   HD11  LEU   4          HD11      LEU   4  11.445   5.013   5.562
   30   HD12  LEU   4          HD12      LEU   4  12.136   6.618   5.812
   31   HD13  LEU   4          HD13      LEU   4  13.195   5.217   5.653
   32   HD21  LEU   4          HD21      LEU   4  12.714   4.747   2.047
   33   HD22  LEU   4          HD22      LEU   4  11.812   3.872   3.283
   34   HD23  LEU   4          HD23      LEU   4  13.544   4.145   3.482
   35    H    LEU   5           HN       LEU   5   8.667   5.658   1.988
   36    HA   LEU   5           HA       LEU   5   7.277   7.797   0.587
   37    HB2  LEU   5           HB2      LEU   5   6.360   5.081   1.490
   38    HB3  LEU   5           HB1      LEU   5   5.431   6.215   0.527
   39    HG   LEU   5           HG       LEU   5   7.936   4.778  -0.317
   40   HD11  LEU   5          HD11      LEU   5   6.439   3.627  -1.871
   41   HD12  LEU   5          HD12      LEU   5   5.062   4.478  -1.171
   42   HD13  LEU   5          HD13      LEU   5   5.986   3.337  -0.192
   43   HD21  LEU   5          HD21      LEU   5   6.159   6.680  -1.829
   44   HD22  LEU   5          HD22      LEU   5   7.498   5.759  -2.516
   45   HD23  LEU   5          HD23      LEU   5   7.810   7.002  -1.299
   46    H    THR   6           HN       THR   6   5.961   9.114   1.644
   47    HA   THR   6           HA       THR   6   5.533   8.626   4.480
   48    HB   THR   6           HB       THR   6   4.703  10.985   4.517
   49    HG1  THR   6           HG1      THR   6   5.498  10.958   1.745
   50   HG21  THR   6          HG21      THR   6   7.069  10.528   4.999
   51   HG22  THR   6          HG22      THR   6   6.890  12.070   4.158
   52   HG23  THR   6          HG23      THR   6   7.447  10.643   3.280
   53    H    THR   7           HN       THR   7   3.210   9.715   5.030
   54    HA   THR   7           HA       THR   7   1.213   8.010   4.168
   55    HB   THR   7           HB       THR   7   0.847  10.862   5.140
   56    HG1  THR   7           HG1      THR   7   2.173   9.467   6.533
   57   HG21  THR   7          HG21      THR   7  -1.202   9.833   4.241
   58   HG22  THR   7          HG22      THR   7  -1.306  10.035   5.989
   59   HG23  THR   7          HG23      THR   7  -0.975   8.443   5.304
   60    H    ASP   8           HN       ASP   8   1.997  11.309   3.041
   61    HA   ASP   8           HA       ASP   8  -0.029  11.545   1.126
   62    HB2  ASP   8           HB2      ASP   8   2.710  12.838   1.114
   63    HB3  ASP   8           HB1      ASP   8   1.381  13.294   0.059
   64    H    ASP   9           HN       ASP   9   3.138  10.106   0.885
   65    HA   ASP   9           HA       ASP   9   3.133   9.715  -1.952
   66    HB2  ASP   9           HB2      ASP   9   4.643   8.221   0.204
   67    HB3  ASP   9           HB1      ASP   9   4.853   7.927  -1.509
   68    H    LEU  10           HN       LEU  10   2.437   7.605   0.768
   69    HA   LEU  10           HA       LEU  10   1.742   5.308  -0.706
   70    HB2  LEU  10           HB2      LEU  10   2.396   5.347   1.659
   71    HB3  LEU  10           HB1      LEU  10   0.908   6.174   2.054
   72    HG   LEU  10           HG       LEU  10  -0.323   4.150   1.198
   73   HD11  LEU  10          HD11      LEU  10   0.903   2.049   1.073
   74   HD12  LEU  10          HD12      LEU  10   2.422   2.924   1.266
   75   HD13  LEU  10          HD13      LEU  10   1.429   3.187  -0.168
   76   HD21  LEU  10          HD21      LEU  10   1.535   3.779   3.540
   77   HD22  LEU  10          HD22      LEU  10   0.064   2.853   3.231
   78   HD23  LEU  10          HD23      LEU  10  -0.036   4.581   3.570
   79    H    ARG  11           HN       ARG  11  -0.089   8.019   0.546
   80    HA   ARG  11           HA       ARG  11  -2.707   7.206   0.300
   81    HB2  ARG  11           HB2      ARG  11  -1.698   9.420   1.192
   82    HB3  ARG  11           HB1      ARG  11  -1.839   9.977  -0.467
   83    HG2  ARG  11           HG2      ARG  11  -4.255   9.530  -0.393
   84    HG3  ARG  11           HG1      ARG  11  -4.088   9.043   1.296
   85    HD2  ARG  11           HD2      ARG  11  -4.806  11.290   1.351
   86    HD3  ARG  11           HD1      ARG  11  -3.076  11.329   1.705
   87    HE   ARG  11           HE       ARG  11  -3.612  11.597  -1.069
   88   HH11  ARG  11          HH11      ARG  11  -3.248  13.484   1.923
   89   HH12  ARG  11          HH12      ARG  11  -3.255  14.971   1.087
   90   HH21  ARG  11          HH21      ARG  11  -3.633  13.562  -2.119
   91   HH22  ARG  11          HH22      ARG  11  -3.507  15.046  -1.284
   92    H    ARG  12           HN       ARG  12  -0.532   8.502  -2.109
   93    HA   ARG  12           HA       ARG  12  -2.295   8.870  -4.236
   94    HB2  ARG  12           HB2      ARG  12   0.613   8.076  -4.285
   95    HB3  ARG  12           HB1      ARG  12  -0.307   8.571  -5.703
   96    HG2  ARG  12           HG2      ARG  12  -0.702  10.741  -4.702
   97    HG3  ARG  12           HG1      ARG  12   0.163  10.189  -3.257
   98    HD2  ARG  12           HD2      ARG  12   2.224  10.048  -4.444
   99    HD3  ARG  12           HD1      ARG  12   1.415  10.312  -5.992
  100    HE   ARG  12           HE       ARG  12   0.796  12.518  -5.105
  101   HH11  ARG  12          HH11      ARG  12   3.855  10.944  -4.100
  102   HH12  ARG  12          HH12      ARG  12   4.555  12.412  -3.600
  103   HH21  ARG  12          HH21      ARG  12   1.891  14.506  -4.404
  104   HH22  ARG  12          HH22      ARG  12   3.493  14.401  -3.781
  105    H    ALA  13           HN       ALA  13  -0.418   6.075  -3.332
  106    HA   ALA  13           HA       ALA  13  -1.199   4.427  -5.519
  107    HB1  ALA  13           HB1      ALA  13  -0.256   2.589  -4.264
  108    HB2  ALA  13           HB2      ALA  13  -0.215   3.590  -2.810
  109    HB3  ALA  13           HB3      ALA  13   0.799   4.001  -4.196
  110    H    LEU  14           HN       LEU  14  -2.413   4.743  -2.238
  111    HA   LEU  14           HA       LEU  14  -4.305   2.665  -2.459
  112    HB2  LEU  14           HB2      LEU  14  -3.929   4.919  -0.539
  113    HB3  LEU  14           HB1      LEU  14  -5.436   4.038  -0.518
  114    HG   LEU  14           HG       LEU  14  -4.002   3.176   1.191
  115   HD11  LEU  14          HD11      LEU  14  -3.871   0.813   0.596
  116   HD12  LEU  14          HD12      LEU  14  -4.167   1.236  -1.091
  117   HD13  LEU  14          HD13      LEU  14  -5.401   1.554   0.126
  118   HD21  LEU  14          HD21      LEU  14  -1.972   2.629  -0.965
  119   HD22  LEU  14          HD22      LEU  14  -1.845   2.124   0.722
  120   HD23  LEU  14          HD23      LEU  14  -1.835   3.839   0.311
  121    H    VAL  15           HN       VAL  15  -4.671   6.179  -2.813
  122    HA   VAL  15           HA       VAL  15  -7.363   5.987  -3.578
  123    HB   VAL  15           HB       VAL  15  -5.334   8.211  -4.094
  124   HG11  VAL  15          HG11      VAL  15  -7.245   9.653  -4.567
  125   HG12  VAL  15          HG12      VAL  15  -8.338   8.276  -4.416
  126   HG13  VAL  15          HG13      VAL  15  -7.175   8.336  -5.738
  127   HG21  VAL  15          HG21      VAL  15  -6.485   9.304  -2.265
  128   HG22  VAL  15          HG22      VAL  15  -5.799   7.757  -1.770
  129   HG23  VAL  15          HG23      VAL  15  -7.532   7.898  -2.074
  130    H    GLU  16           HN       GLU  16  -4.400   5.802  -5.416
  131    HA   GLU  16           HA       GLU  16  -5.230   5.888  -8.066
  132    HB2  GLU  16           HB2      GLU  16  -2.898   5.919  -7.322
  133    HB3  GLU  16           HB1      GLU  16  -3.034   4.262  -6.782
  134    HG2  GLU  16           HG2      GLU  16  -1.793   4.392  -8.838
  135    HG3  GLU  16           HG1      GLU  16  -3.310   3.540  -9.099
  136    H    SER  17           HN       SER  17  -5.226   3.126  -5.835
  137    HA   SER  17           HA       SER  17  -5.846   1.248  -7.907
  138    HB2  SER  17           HB2      SER  17  -5.997   0.832  -4.912
  139    HB3  SER  17           HB1      SER  17  -5.817  -0.426  -6.141
  140    HG   SER  17           HG       SER  17  -3.945   1.635  -5.560
  141    H    ALA  18           HN       ALA  18  -7.673   3.427  -6.103
  142    HA   ALA  18           HA       ALA  18 -10.140   1.921  -6.472
  143    HB1  ALA  18           HB1      ALA  18  -9.648   4.612  -5.166
  144    HB2  ALA  18           HB2      ALA  18  -9.845   3.078  -4.319
  145    HB3  ALA  18           HB3      ALA  18 -11.196   3.769  -5.223
  146    H    GLY  19           HN       GLY  19  -8.747   5.114  -7.193
  147    HA2  GLY  19           HA2      GLY  19  -8.956   6.502  -8.974
  148    HA3  GLY  19           HA1      GLY  19  -9.438   5.092  -9.908
  149    H    GLU  20           HN       GLU  20 -11.125   6.484  -7.078
  150    HA   GLU  20           HA       GLU  20 -13.440   6.706  -8.827
  151    HB2  GLU  20           HB2      GLU  20 -13.388   5.240  -6.717
  152    HB3  GLU  20           HB1      GLU  20 -13.435   6.742  -5.814
  153    HG2  GLU  20           HG2      GLU  20 -15.566   7.323  -6.761
  154    HG3  GLU  20           HG1      GLU  20 -15.522   5.909  -7.815
  155    H    THR  21           HN       THR  21 -11.055   8.551  -8.025
  156    HA   THR  21           HA       THR  21 -10.605  10.724  -8.097
  157    HB   THR  21           HB       THR  21 -13.532  11.240  -8.728
  158    HG1  THR  21           HG1      THR  21 -12.120   9.641  -9.966
  159   HG21  THR  21          HG21      THR  21 -11.000  12.733  -9.498
  160   HG22  THR  21          HG22      THR  21 -12.101  13.189  -8.207
  161   HG23  THR  21          HG23      THR  21 -12.664  13.220  -9.887
  162    H    ASP  22           HN       ASP  22 -10.990   9.599  -5.674
  163    HA   ASP  22           HA       ASP  22 -10.975  10.133  -3.517
  164    HB2  ASP  22           HB2      ASP  22 -11.181  13.006  -4.476
  165    HB3  ASP  22           HB1      ASP  22 -10.907  12.532  -2.812
  166    H    GLY  23           HN       GLY  23 -12.178  11.339  -1.840
  167    HA2  GLY  23           HA2      GLY  23 -14.520  12.438  -1.627
  168    HA3  GLY  23           HA1      GLY  23 -15.027  10.888  -2.298
  169    H    THR  24           HN       THR  24 -15.682   9.506  -0.826
  170    HA   THR  24           HA       THR  24 -14.334   9.587   1.748
  171    HB   THR  24           HB       THR  24 -16.591   8.328   2.390
  172    HG1  THR  24           HG1      THR  24 -17.399  10.166   0.388
  173   HG21  THR  24          HG21      THR  24 -17.478  10.480   3.151
  174   HG22  THR  24          HG22      THR  24 -16.345  11.323   2.093
  175   HG23  THR  24          HG23      THR  24 -15.746  10.368   3.449
  176    H    ASP  25           HN       ASP  25 -13.607   8.174  -0.665
  177    HA   ASP  25           HA       ASP  25 -14.034   5.415  -0.086
  178    HB2  ASP  25           HB2      ASP  25 -12.168   5.055  -1.894
  179    HB3  ASP  25           HB1      ASP  25 -13.668   5.773  -2.443
  180    H    LEU  26           HN       LEU  26 -10.783   6.622  -0.510
  181    HA   LEU  26           HA       LEU  26 -10.206   6.177   2.300
  182    HB2  LEU  26           HB2      LEU  26  -8.399   4.641   1.956
  183    HB3  LEU  26           HB1      LEU  26  -9.842   3.966   1.247
  184    HG   LEU  26           HG       LEU  26  -7.605   5.255  -0.328
  185   HD11  LEU  26          HD11      LEU  26  -6.908   3.313   0.892
  186   HD12  LEU  26          HD12      LEU  26  -6.975   2.973  -0.842
  187   HD13  LEU  26          HD13      LEU  26  -8.250   2.381   0.231
  188   HD21  LEU  26          HD21      LEU  26  -9.930   3.521  -1.206
  189   HD22  LEU  26          HD22      LEU  26  -8.614   4.079  -2.236
  190   HD23  LEU  26          HD23      LEU  26  -9.744   5.244  -1.553
  191    H    SER  27           HN       SER  27 -10.343   8.174   0.240
  192    HA   SER  27           HA       SER  27  -7.690   9.194  -0.046
  193    HB2  SER  27           HB2      SER  27  -9.163  11.112  -1.079
  194    HB3  SER  27           HB1      SER  27  -8.925   9.598  -1.952
  195    HG   SER  27           HG       SER  27 -10.883   8.997  -1.569
  196    H    GLY  28           HN       GLY  28  -6.828  10.400   1.394
  197    HA2  GLY  28           HA2      GLY  28  -6.886  12.353   2.851
  198    HA3  GLY  28           HA1      GLY  28  -8.563  11.955   3.216
  199    H    ASP  29           HN       ASP  29  -8.986  10.028   4.552
  200    HA   ASP  29           HA       ASP  29  -6.619   9.333   6.153
  201    HB2  ASP  29           HB2      ASP  29  -8.308  10.762   7.398
  202    HB3  ASP  29           HB1      ASP  29  -9.432   9.410   7.254
  203    H    PHE  30           HN       PHE  30  -6.128   7.361   6.251
  204    HA   PHE  30           HA       PHE  30  -7.982   5.136   5.921
  205    HB2  PHE  30           HB2      PHE  30  -7.139   4.320   3.741
  206    HB3  PHE  30           HB1      PHE  30  -7.586   5.979   3.554
  207    HD1  PHE  30           HD2      PHE  30  -5.797   7.787   3.679
  208    HD2  PHE  30           HD1      PHE  30  -4.904   3.652   3.273
  209    HE1  PHE  30           HE2      PHE  30  -3.540   8.351   2.911
  210    HE2  PHE  30           HE1      PHE  30  -2.642   4.219   2.509
  211    HZ   PHE  30           HZ       PHE  30  -1.958   6.567   2.330
  212    H    LEU  31           HN       LEU  31  -4.839   6.478   6.562
  213    HA   LEU  31           HA       LEU  31  -3.043   4.460   6.232
  214    HB2  LEU  31           HB2      LEU  31  -2.531   6.818   6.622
  215    HB3  LEU  31           HB1      LEU  31  -2.955   6.624   8.309
  216    HG   LEU  31           HG       LEU  31  -1.106   4.940   8.490
  217   HD11  LEU  31          HD11      LEU  31   0.631   4.957   6.770
  218   HD12  LEU  31          HD12      LEU  31  -0.380   5.987   5.761
  219   HD13  LEU  31          HD13      LEU  31  -0.902   4.349   6.152
  220   HD21  LEU  31          HD21      LEU  31  -0.338   7.733   7.655
  221   HD22  LEU  31          HD22      LEU  31   0.672   6.619   8.576
  222   HD23  LEU  31          HD23      LEU  31  -0.831   7.230   9.273
  223    H    ASP  32           HN       ASP  32  -5.041   4.992   9.118
  224    HA   ASP  32           HA       ASP  32  -3.558   2.806  10.364
  225    HB2  ASP  32           HB2      ASP  32  -5.131   5.038  11.601
  226    HB3  ASP  32           HB1      ASP  32  -4.697   3.596  12.513
  227    H    LEU  33           HN       LEU  33  -6.188   3.034   8.613
  228    HA   LEU  33           HA       LEU  33  -7.875   1.341  10.265
  229    HB2  LEU  33           HB2      LEU  33  -8.157   2.300   7.420
  230    HB3  LEU  33           HB1      LEU  33  -9.320   1.271   8.230
  231    HG   LEU  33           HG       LEU  33  -8.619   4.084   9.077
  232   HD11  LEU  33          HD11      LEU  33 -11.027   2.998   7.623
  233   HD12  LEU  33          HD12      LEU  33  -9.775   4.022   6.924
  234   HD13  LEU  33          HD13      LEU  33 -10.823   4.654   8.195
  235   HD21  LEU  33          HD21      LEU  33  -9.350   2.654  10.925
  236   HD22  LEU  33          HD22      LEU  33 -10.782   2.190  10.001
  237   HD23  LEU  33          HD23      LEU  33 -10.576   3.859  10.526
  238    H    ARG  34           HN       ARG  34  -8.431  -0.816   9.601
  239    HA   ARG  34           HA       ARG  34  -6.269  -2.293   8.421
  240    HB2  ARG  34           HB2      ARG  34  -8.503  -2.813  10.043
  241    HB3  ARG  34           HB1      ARG  34  -8.909  -3.574   8.518
  242    HG2  ARG  34           HG2      ARG  34  -6.346  -4.113   9.982
  243    HG3  ARG  34           HG1      ARG  34  -7.824  -5.016  10.272
  244    HD2  ARG  34           HD2      ARG  34  -7.837  -5.804   7.993
  245    HD3  ARG  34           HD1      ARG  34  -6.449  -4.781   7.601
  246    HE   ARG  34           HE       ARG  34  -5.425  -6.179   9.564
  247   HH11  ARG  34          HH11      ARG  34  -7.592  -7.581   7.138
  248   HH12  ARG  34          HH12      ARG  34  -6.652  -8.983   6.921
  249   HH21  ARG  34          HH21      ARG  34  -4.228  -8.094   9.344
  250   HH22  ARG  34          HH22      ARG  34  -4.742  -9.324   8.287
  251    H    PHE  35           HN       PHE  35  -6.223  -2.978   6.226
  252    HA   PHE  35           HA       PHE  35  -7.296  -1.401   4.244
  253    HB2  PHE  35           HB2      PHE  35  -6.600  -4.334   4.016
  254    HB3  PHE  35           HB1      PHE  35  -6.947  -3.304   2.637
  255    HD1  PHE  35           HD2      PHE  35  -5.459  -1.213   2.371
  256    HD2  PHE  35           HD1      PHE  35  -4.443  -4.543   4.796
  257    HE1  PHE  35           HE2      PHE  35  -3.100  -0.562   2.256
  258    HE2  PHE  35           HE1      PHE  35  -2.076  -3.898   4.683
  259    HZ   PHE  35           HZ       PHE  35  -1.403  -1.908   3.413
  260    H    GLU  36           HN       GLU  36  -8.781  -4.227   5.593
  261    HA   GLU  36           HA       GLU  36 -10.925  -4.527   3.862
  262    HB2  GLU  36           HB2      GLU  36 -10.792  -5.110   6.811
  263    HB3  GLU  36           HB1      GLU  36 -11.955  -5.793   5.674
  264    HG2  GLU  36           HG2      GLU  36 -10.185  -6.876   4.446
  265    HG3  GLU  36           HG1      GLU  36  -8.972  -6.125   5.480
  266    H    ASP  37           HN       ASP  37 -10.493  -2.126   6.421
  267    HA   ASP  37           HA       ASP  37 -13.291  -1.370   6.417
  268    HB2  ASP  37           HB2      ASP  37 -10.918  -0.208   7.889
  269    HB3  ASP  37           HB1      ASP  37 -12.556   0.406   8.014
  270    H    ILE  38           HN       ILE  38 -10.608  -0.673   4.512
  271    HA   ILE  38           HA       ILE  38 -11.627   2.021   3.950
  272    HB   ILE  38           HB       ILE  38  -9.553   2.482   2.693
  273   HG12  ILE  38          HG12      ILE  38  -8.764  -0.339   3.465
  274   HG13  ILE  38          HG11      ILE  38  -9.111   0.227   1.845
  275   HG21  ILE  38          HG21      ILE  38  -9.005   1.347   5.429
  276   HG22  ILE  38          HG22      ILE  38  -9.557   2.981   5.062
  277   HG23  ILE  38          HG23      ILE  38  -7.954   2.458   4.551
  278   HD11  ILE  38          HD11      ILE  38  -7.111   1.667   1.964
  279   HD12  ILE  38          HD12      ILE  38  -6.784  -0.053   2.131
  280   HD13  ILE  38          HD13      ILE  38  -6.757   0.984   3.563
  281    H    GLY  39           HN       GLY  39 -12.724  -0.615   3.173
  282    HA2  GLY  39           HA2      GLY  39 -14.044  -1.296   1.422
  283    HA3  GLY  39           HA1      GLY  39 -13.490   0.102   0.512
  284    H    TYR  40           HN       TYR  40 -11.011  -1.869   1.852
  285    HA   TYR  40           HA       TYR  40 -10.470  -2.710  -0.831
  286    HB2  TYR  40           HB2      TYR  40  -8.709  -1.981   1.420
  287    HB3  TYR  40           HB1      TYR  40  -8.131  -3.238   0.320
  288    HD1  TYR  40           HD2      TYR  40 -10.196  -0.213  -0.306
  289    HD2  TYR  40           HD1      TYR  40  -6.552  -2.238  -1.068
  290    HE1  TYR  40           HE2      TYR  40  -9.527   1.567  -1.847
  291    HE2  TYR  40           HE1      TYR  40  -5.868  -0.459  -2.597
  292    HH   TYR  40           HH       TYR  40  -7.106   1.380  -4.008
  293    H    ASP  41           HN       ASP  41 -10.901  -4.447  -1.475
  294    HA   ASP  41           HA       ASP  41 -11.619  -6.569   0.323
  295    HB2  ASP  41           HB2      ASP  41 -12.589  -7.591  -1.762
  296    HB3  ASP  41           HB1      ASP  41 -13.297  -6.063  -1.261
  297    H    SER  42           HN       SER  42  -9.606  -6.133  -2.523
  298    HA   SER  42           HA       SER  42  -7.535  -7.931  -1.738
  299    HB2  SER  42           HB2      SER  42  -8.159  -9.805  -3.279
  300    HB3  SER  42           HB1      SER  42  -9.279  -9.618  -1.914
  301    H    LEU  43           HN       LEU  43  -9.452  -7.293  -4.628
  302    HA   LEU  43           HA       LEU  43  -7.433  -7.374  -6.558
  303    HB2  LEU  43           HB2      LEU  43  -9.949  -7.424  -6.928
  304    HB3  LEU  43           HB1      LEU  43  -9.944  -5.692  -6.735
  305    HG   LEU  43           HG       LEU  43 -10.123  -6.399  -9.090
  306   HD11  LEU  43          HD11      LEU  43  -7.540  -4.925  -8.563
  307   HD12  LEU  43          HD12      LEU  43  -9.142  -4.214  -8.693
  308   HD13  LEU  43          HD13      LEU  43  -8.406  -4.980 -10.097
  309   HD21  LEU  43          HD21      LEU  43  -8.208  -7.405 -10.240
  310   HD22  LEU  43          HD22      LEU  43  -8.869  -8.460  -8.991
  311   HD23  LEU  43          HD23      LEU  43  -7.377  -7.565  -8.693
  312    H    ALA  44           HN       ALA  44  -8.966  -4.487  -5.237
  313    HA   ALA  44           HA       ALA  44  -7.142  -2.701  -6.376
  314    HB1  ALA  44           HB1      ALA  44  -8.885  -2.368  -3.946
  315    HB2  ALA  44           HB2      ALA  44  -9.346  -2.039  -5.616
  316    HB3  ALA  44           HB3      ALA  44  -8.098  -1.063  -4.835
  317    H    LEU  45           HN       LEU  45  -7.065  -4.500  -3.403
  318    HA   LEU  45           HA       LEU  45  -5.069  -2.975  -2.117
  319    HB2  LEU  45           HB2      LEU  45  -6.606  -4.389  -0.862
  320    HB3  LEU  45           HB1      LEU  45  -6.003  -5.820  -1.648
  321    HG   LEU  45           HG       LEU  45  -5.371  -5.257   0.817
  322   HD11  LEU  45          HD11      LEU  45  -3.172  -6.376   0.550
  323   HD12  LEU  45          HD12      LEU  45  -3.241  -6.080  -1.183
  324   HD13  LEU  45          HD13      LEU  45  -4.413  -7.167  -0.426
  325   HD21  LEU  45          HD21      LEU  45  -3.270  -4.064   1.038
  326   HD22  LEU  45          HD22      LEU  45  -4.575  -3.029   0.431
  327   HD23  LEU  45          HD23      LEU  45  -3.341  -3.662  -0.681
  328    H    MET  46           HN       MET  46  -4.863  -5.876  -4.094
  329    HA   MET  46           HA       MET  46  -2.020  -6.090  -3.875
  330    HB2  MET  46           HB2      MET  46  -2.150  -7.749  -5.620
  331    HB3  MET  46           HB1      MET  46  -3.517  -7.983  -4.550
  332    HG2  MET  46           HG2      MET  46  -4.565  -8.191  -6.577
  333    HG3  MET  46           HG1      MET  46  -4.709  -6.448  -6.255
  334    HE1  MET  46           HE1      MET  46  -4.239  -6.570 -10.176
  335    HE2  MET  46           HE2      MET  46  -5.289  -6.046  -8.862
  336    HE3  MET  46           HE3      MET  46  -5.084  -7.765  -9.193
  337    H    GLU  47           HN       GLU  47  -4.206  -4.333  -5.883
  338    HA   GLU  47           HA       GLU  47  -2.517  -3.676  -8.031
  339    HB2  GLU  47           HB2      GLU  47  -5.018  -3.588  -7.980
  340    HB3  GLU  47           HB1      GLU  47  -4.923  -2.196  -6.929
  341    HG2  GLU  47           HG2      GLU  47  -5.410  -1.549  -9.195
  342    HG3  GLU  47           HG1      GLU  47  -3.830  -0.940  -8.715
  343    H    THR  48           HN       THR  48  -3.232  -2.206  -4.922
  344    HA   THR  48           HA       THR  48  -1.887   0.216  -5.126
  345    HB   THR  48           HB       THR  48  -2.174  -1.603  -2.719
  346    HG1  THR  48           HG1      THR  48  -3.955  -0.230  -4.204
  347   HG21  THR  48          HG21      THR  48  -0.584   0.227  -2.361
  348   HG22  THR  48          HG22      THR  48  -2.060   0.483  -1.429
  349   HG23  THR  48          HG23      THR  48  -1.788   1.387  -2.918
  350    H    ALA  49           HN       ALA  49  -0.780  -2.870  -3.766
  351    HA   ALA  49           HA       ALA  49   1.841  -2.109  -3.205
  352    HB1  ALA  49           HB1      ALA  49   0.820  -4.846  -3.881
  353    HB2  ALA  49           HB2      ALA  49   0.846  -4.119  -2.258
  354    HB3  ALA  49           HB3      ALA  49   2.359  -4.461  -3.122
  355    H    ALA  50           HN       ALA  50   0.546  -3.835  -6.028
  356    HA   ALA  50           HA       ALA  50   3.015  -4.221  -7.297
  357    HB1  ALA  50           HB1      ALA  50   0.306  -4.029  -8.604
  358    HB2  ALA  50           HB2      ALA  50   0.990  -5.479  -7.867
  359    HB3  ALA  50           HB3      ALA  50   1.754  -4.769  -9.288
  360    H    ARG  51           HN       ARG  51   0.782  -1.523  -7.430
  361    HA   ARG  51           HA       ARG  51   1.899  -0.122  -9.597
  362    HB2  ARG  51           HB2      ARG  51  -0.284   0.361  -8.418
  363    HB3  ARG  51           HB1      ARG  51   0.642   1.043  -7.095
  364    HG2  ARG  51           HG2      ARG  51  -0.212   2.812  -8.476
  365    HG3  ARG  51           HG1      ARG  51   1.543   2.740  -8.659
  366    HD2  ARG  51           HD2      ARG  51   1.335   1.587 -10.750
  367    HD3  ARG  51           HD1      ARG  51  -0.407   1.435 -10.542
  368    HE   ARG  51           HE       ARG  51   0.407   4.147 -10.503
  369   HH11  ARG  51          HH11      ARG  51  -0.040   1.436 -12.716
  370   HH12  ARG  51          HH12      ARG  51  -0.546   2.376 -14.039
  371   HH21  ARG  51          HH21      ARG  51  -0.288   5.506 -12.348
  372   HH22  ARG  51          HH22      ARG  51  -0.678   4.745 -13.827
  373    H    LEU  52           HN       LEU  52   2.494   0.032  -6.115
  374    HA   LEU  52           HA       LEU  52   4.597   1.923  -6.276
  375    HB2  LEU  52           HB2      LEU  52   3.878   0.017  -4.058
  376    HB3  LEU  52           HB1      LEU  52   5.041   1.324  -3.926
  377    HG   LEU  52           HG       LEU  52   2.083   1.623  -4.432
  378   HD11  LEU  52          HD11      LEU  52   2.047   2.670  -2.230
  379   HD12  LEU  52          HD12      LEU  52   3.761   2.297  -2.030
  380   HD13  LEU  52          HD13      LEU  52   2.583   0.993  -2.153
  381   HD21  LEU  52          HD21      LEU  52   2.461   4.021  -4.242
  382   HD22  LEU  52          HD22      LEU  52   3.375   3.352  -5.597
  383   HD23  LEU  52          HD23      LEU  52   4.195   3.752  -4.087
  384    H    GLU  53           HN       GLU  53   4.529  -1.591  -6.071
  385    HA   GLU  53           HA       GLU  53   7.234  -2.110  -5.791
  386    HB2  GLU  53           HB2      GLU  53   5.181  -3.663  -7.356
  387    HB3  GLU  53           HB1      GLU  53   6.793  -4.249  -6.993
  388    HG2  GLU  53           HG2      GLU  53   6.231  -4.081  -4.571
  389    HG3  GLU  53           HG1      GLU  53   4.599  -3.630  -5.052
  390    H    SER  54           HN       SER  54   5.339  -1.726  -8.682
  391    HA   SER  54           HA       SER  54   7.376  -2.095 -10.563
  392    HB2  SER  54           HB2      SER  54   4.999  -2.187 -11.143
  393    HB3  SER  54           HB1      SER  54   4.826  -0.475 -10.777
  394    HG   SER  54           HG       SER  54   6.793  -1.076 -12.644
  395    H    ARG  55           HN       ARG  55   6.129   0.912  -9.112
  396    HA   ARG  55           HA       ARG  55   7.728   2.614 -10.684
  397    HB2  ARG  55           HB2      ARG  55   5.702   3.421  -9.615
  398    HB3  ARG  55           HB1      ARG  55   6.412   3.171  -8.027
  399    HG2  ARG  55           HG2      ARG  55   8.126   4.847  -8.532
  400    HG3  ARG  55           HG1      ARG  55   7.390   5.117 -10.110
  401    HD2  ARG  55           HD2      ARG  55   5.353   5.891  -9.053
  402    HD3  ARG  55           HD1      ARG  55   6.023   5.535  -7.457
  403    HE   ARG  55           HE       ARG  55   7.597   7.330  -9.063
  404   HH11  ARG  55          HH11      ARG  55   5.268   7.032  -6.422
  405   HH12  ARG  55          HH12      ARG  55   5.325   8.665  -5.973
  406   HH21  ARG  55          HH21      ARG  55   7.687   9.625  -8.453
  407   HH22  ARG  55          HH22      ARG  55   6.701  10.172  -7.181
  408    H    TYR  56           HN       TYR  56   8.351   1.195  -7.492
  409    HA   TYR  56           HA       TYR  56  10.784   2.837  -7.365
  410    HB2  TYR  56           HB2      TYR  56   9.631   1.150  -5.154
  411    HB3  TYR  56           HB1      TYR  56  10.872   2.393  -5.022
  412    HD1  TYR  56           HD2      TYR  56  10.028   4.706  -6.159
  413    HD2  TYR  56           HD1      TYR  56   7.557   1.778  -4.349
  414    HE1  TYR  56           HE2      TYR  56   8.359   6.418  -5.698
  415    HE2  TYR  56           HE1      TYR  56   5.863   3.492  -3.878
  416    HH   TYR  56           HH       TYR  56   5.944   6.560  -5.278
  417    H    GLY  57           HN       GLY  57   9.938  -0.197  -8.338
  418    HA2  GLY  57           HA2      GLY  57  11.297  -1.910  -9.050
  419    HA3  GLY  57           HA1      GLY  57  12.687  -1.000  -8.470
  420    H    VAL  58           HN       VAL  58   9.828  -2.228  -6.790
  421    HA   VAL  58           HA       VAL  58  11.678  -3.772  -5.148
  422    HB   VAL  58           HB       VAL  58  10.225  -3.523  -3.168
  423   HG11  VAL  58          HG11      VAL  58  10.700  -1.189  -2.632
  424   HG12  VAL  58          HG12      VAL  58  11.044  -0.879  -4.336
  425   HG13  VAL  58          HG13      VAL  58  12.066  -1.985  -3.417
  426   HG21  VAL  58          HG21      VAL  58   8.078  -3.153  -4.263
  427   HG22  VAL  58          HG22      VAL  58   8.632  -1.583  -4.845
  428   HG23  VAL  58          HG23      VAL  58   8.419  -1.858  -3.116
  429    H    SER  59           HN       SER  59  10.378  -5.508  -3.877
  430    HA   SER  59           HA       SER  59   8.272  -6.625  -5.537
  431    HB2  SER  59           HB2      SER  59   9.445  -8.880  -5.438
  432    HB3  SER  59           HB1      SER  59  10.160  -7.683  -6.516
  433    HG   SER  59           HG       SER  59  11.055  -7.895  -3.851
  434    H    ILE  60           HN       ILE  60   6.685  -6.851  -4.230
  435    HA   ILE  60           HA       ILE  60   7.109  -7.666  -1.442
  436    HB   ILE  60           HB       ILE  60   4.628  -6.569  -2.812
  437   HG12  ILE  60          HG12      ILE  60   6.406  -5.239  -0.774
  438   HG13  ILE  60          HG11      ILE  60   6.471  -4.913  -2.511
  439   HG21  ILE  60          HG21      ILE  60   3.678  -6.401  -0.544
  440   HG22  ILE  60          HG22      ILE  60   5.115  -7.182   0.110
  441   HG23  ILE  60          HG23      ILE  60   4.048  -8.069  -0.978
  442   HD11  ILE  60          HD11      ILE  60   4.150  -4.144  -2.409
  443   HD12  ILE  60          HD12      ILE  60   5.216  -3.218  -1.354
  444   HD13  ILE  60          HD13      ILE  60   4.143  -4.438  -0.669
  445    HA   PRO  61           HA       PRO  61   5.791 -11.729  -2.814
  446    HB2  PRO  61           HB2      PRO  61   5.410 -11.975   0.136
  447    HB3  PRO  61           HB1      PRO  61   6.272 -13.053  -0.978
  448    HG2  PRO  61           HG2      PRO  61   7.633 -11.480   0.655
  449    HG3  PRO  61           HG1      PRO  61   8.164 -11.684  -1.027
  450    HD2  PRO  61           HD2      PRO  61   6.671  -9.407   0.222
  451    HD3  PRO  61           HD1      PRO  61   8.004  -9.374  -0.956
  452    H    ASP  62           HN       ASP  62   3.786 -12.213  -3.408
  453    HA   ASP  62           HA       ASP  62   1.444 -10.849  -2.705
  454    HB2  ASP  62           HB2      ASP  62   0.182 -12.542  -3.820
  455    HB3  ASP  62           HB1      ASP  62   1.682 -12.350  -4.722
  456    H    ASP  63           HN       ASP  63   3.080 -13.396  -1.131
  457    HA   ASP  63           HA       ASP  63   1.038 -14.346   0.599
  458    HB2  ASP  63           HB2      ASP  63   3.115 -15.585   0.313
  459    HB3  ASP  63           HB1      ASP  63   4.040 -14.203   0.899
  460    H    VAL  64           HN       VAL  64   3.386 -11.766   0.723
  461    HA   VAL  64           HA       VAL  64   2.841 -11.148   3.419
  462    HB   VAL  64           HB       VAL  64   4.615  -9.723   1.414
  463   HG11  VAL  64          HG11      VAL  64   3.853  -8.108   3.101
  464   HG12  VAL  64          HG12      VAL  64   5.560  -8.493   3.321
  465   HG13  VAL  64          HG13      VAL  64   4.350  -9.208   4.386
  466   HG21  VAL  64          HG21      VAL  64   6.420 -10.701   2.741
  467   HG22  VAL  64          HG22      VAL  64   5.365 -11.938   2.058
  468   HG23  VAL  64          HG23      VAL  64   5.228 -11.505   3.763
  469    H    ALA  65           HN       ALA  65   1.793  -9.907   0.307
  470    HA   ALA  65           HA       ALA  65   0.739  -7.464   1.242
  471    HB1  ALA  65           HB1      ALA  65  -0.554  -7.308  -0.754
  472    HB2  ALA  65           HB2      ALA  65  -0.324  -9.016  -1.124
  473    HB3  ALA  65           HB3      ALA  65   1.056  -7.898  -1.153
  474    H    GLY  66           HN       GLY  66  -0.491 -10.651   1.569
  475    HA2  GLY  66           HA2      GLY  66  -2.990  -9.520   2.689
  476    HA3  GLY  66           HA1      GLY  66  -2.778 -11.198   2.193
  477    H    ARG  67           HN       ARG  67  -0.080 -10.066   3.700
  478    HA   ARG  67           HA       ARG  67  -0.735 -11.460   6.210
  479    HB2  ARG  67           HB2      ARG  67   1.072 -12.330   4.691
  480    HB3  ARG  67           HB1      ARG  67   1.896 -10.804   4.925
  481    HG2  ARG  67           HG2      ARG  67   2.326 -11.311   7.210
  482    HG3  ARG  67           HG1      ARG  67   1.339 -12.780   7.112
  483    HD2  ARG  67           HD2      ARG  67   2.822 -13.726   5.470
  484    HD3  ARG  67           HD1      ARG  67   3.762 -12.239   5.411
  485    HE   ARG  67           HE       ARG  67   3.923 -12.960   7.992
  486   HH11  ARG  67          HH11      ARG  67   4.488 -14.849   4.990
  487   HH12  ARG  67          HH12      ARG  67   5.780 -15.724   5.686
  488   HH21  ARG  67          HH21      ARG  67   5.642 -14.160   8.857
  489   HH22  ARG  67          HH22      ARG  67   6.436 -15.362   7.939
  490    H    VAL  68           HN       VAL  68  -0.430  -8.480   4.846
  491    HA   VAL  68           HA       VAL  68   0.712  -7.052   7.106
  492    HB   VAL  68           HB       VAL  68   0.145  -4.988   5.710
  493   HG11  VAL  68          HG11      VAL  68   1.874  -5.355   4.057
  494   HG12  VAL  68          HG12      VAL  68   1.810  -7.089   4.355
  495   HG13  VAL  68          HG13      VAL  68   2.355  -5.993   5.627
  496   HG21  VAL  68          HG21      VAL  68  -0.494  -5.318   3.397
  497   HG22  VAL  68          HG22      VAL  68  -1.727  -5.987   4.471
  498   HG23  VAL  68          HG23      VAL  68  -0.592  -7.058   3.657
  499    H    ASP  69           HN       ASP  69  -0.829  -4.861   7.289
  500    HA   ASP  69           HA       ASP  69  -3.462  -5.902   8.106
  501    HB2  ASP  69           HB2      ASP  69  -1.907  -6.120  10.055
  502    HB3  ASP  69           HB1      ASP  69  -1.709  -4.376  10.045
  503    H    THR  70           HN       THR  70  -1.700  -2.861   8.753
  504    HA   THR  70           HA       THR  70  -3.950  -1.392   7.633
  505    HB   THR  70           HB       THR  70  -2.841   0.511   8.838
  506    HG1  THR  70           HG1      THR  70  -1.317  -0.483  10.569
  507   HG21  THR  70          HG21      THR  70  -4.691  -0.726   9.878
  508   HG22  THR  70          HG22      THR  70  -3.508  -0.233  11.095
  509   HG23  THR  70          HG23      THR  70  -3.541  -1.900  10.516
  510    HA   PRO  71           HA       PRO  71  -1.405   0.181   4.257
  511    HB2  PRO  71           HB2      PRO  71  -2.119   2.882   5.321
  512    HB3  PRO  71           HB1      PRO  71  -2.216   2.276   3.662
  513    HG2  PRO  71           HG2      PRO  71  -4.416   2.513   5.099
  514    HG3  PRO  71           HG1      PRO  71  -4.165   1.083   4.076
  515    HD2  PRO  71           HD2      PRO  71  -3.890   1.374   7.033
  516    HD3  PRO  71           HD1      PRO  71  -4.548   0.023   6.088
  517    H    ARG  72           HN       ARG  72  -1.198   1.833   7.420
  518    HA   ARG  72           HA       ARG  72   1.379   2.855   7.259
  519    HB2  ARG  72           HB2      ARG  72  -0.153   3.296   9.164
  520    HB3  ARG  72           HB1      ARG  72   0.095   1.647   9.726
  521    HG2  ARG  72           HG2      ARG  72   2.512   2.134   9.959
  522    HG3  ARG  72           HG1      ARG  72   2.183   3.807   9.523
  523    HD2  ARG  72           HD2      ARG  72   1.084   2.341  11.921
  524    HD3  ARG  72           HD1      ARG  72   2.395   3.515  11.936
  525    HE   ARG  72           HE       ARG  72  -0.461   4.078  11.502
  526   HH11  ARG  72          HH11      ARG  72   2.842   5.393  11.966
  527   HH12  ARG  72          HH12      ARG  72   2.276   6.908  12.469
  528   HH21  ARG  72          HH21      ARG  72  -1.180   6.147  12.179
  529   HH22  ARG  72          HH22      ARG  72  -0.052   7.354  12.640
  530    H    GLU  73           HN       GLU  73   0.351  -0.370   8.271
  531    HA   GLU  73           HA       GLU  73   2.862  -1.418   8.978
  532    HB2  GLU  73           HB2      GLU  73   0.484  -2.290   9.439
  533    HB3  GLU  73           HB1      GLU  73   0.548  -2.979   7.829
  534    HG2  GLU  73           HG2      GLU  73   1.063  -4.669   9.435
  535    HG3  GLU  73           HG1      GLU  73   2.524  -4.289   8.525
  536    H    LEU  74           HN       LEU  74   1.005  -1.490   5.978
  537    HA   LEU  74           HA       LEU  74   2.856  -3.022   4.449
  538    HB2  LEU  74           HB2      LEU  74   0.420  -2.842   3.967
  539    HB3  LEU  74           HB1      LEU  74   0.626  -1.165   3.556
  540    HG   LEU  74           HG       LEU  74   0.273  -2.785   1.639
  541   HD11  LEU  74          HD11      LEU  74   1.891  -1.741   0.138
  542   HD12  LEU  74          HD12      LEU  74   2.768  -1.105   1.533
  543   HD13  LEU  74          HD13      LEU  74   1.121  -0.566   1.204
  544   HD21  LEU  74          HD21      LEU  74   1.684  -4.600   2.422
  545   HD22  LEU  74          HD22      LEU  74   3.111  -3.575   2.280
  546   HD23  LEU  74          HD23      LEU  74   2.215  -4.044   0.834
  547    H    LEU  75           HN       LEU  75   2.395   0.413   4.945
  548    HA   LEU  75           HA       LEU  75   4.080   1.500   3.031
  549    HB2  LEU  75           HB2      LEU  75   2.574   2.805   4.463
  550    HB3  LEU  75           HB1      LEU  75   3.569   2.447   5.854
  551    HG   LEU  75           HG       LEU  75   5.415   3.737   4.852
  552   HD11  LEU  75          HD11      LEU  75   4.860   3.438   2.511
  553   HD12  LEU  75          HD12      LEU  75   4.972   5.152   2.920
  554   HD13  LEU  75          HD13      LEU  75   3.391   4.390   2.731
  555   HD21  LEU  75          HD21      LEU  75   4.407   5.947   5.155
  556   HD22  LEU  75          HD22      LEU  75   3.881   4.816   6.403
  557   HD23  LEU  75          HD23      LEU  75   2.802   5.223   5.069
  558    H    ASP  76           HN       ASP  76   4.827   0.572   6.361
  559    HA   ASP  76           HA       ASP  76   7.573   1.140   6.315
  560    HB2  ASP  76           HB2      ASP  76   6.450   0.766   8.425
  561    HB3  ASP  76           HB1      ASP  76   6.050  -0.886   7.961
  562    H    LEU  77           HN       LEU  77   5.811  -1.676   5.285
  563    HA   LEU  77           HA       LEU  77   7.981  -3.453   4.990
  564    HB2  LEU  77           HB2      LEU  77   5.509  -4.042   4.991
  565    HB3  LEU  77           HB1      LEU  77   5.404  -3.395   3.379
  566    HG   LEU  77           HG       LEU  77   5.426  -5.869   3.434
  567   HD11  LEU  77          HD11      LEU  77   7.826  -4.727   2.049
  568   HD12  LEU  77          HD12      LEU  77   6.182  -4.830   1.415
  569   HD13  LEU  77          HD13      LEU  77   7.099  -6.302   1.730
  570   HD21  LEU  77          HD21      LEU  77   7.479  -7.080   3.991
  571   HD22  LEU  77          HD22      LEU  77   6.832  -6.207   5.383
  572   HD23  LEU  77          HD23      LEU  77   8.221  -5.566   4.508
  573    H    ILE  78           HN       ILE  78   6.447  -1.155   2.756
  574    HA   ILE  78           HA       ILE  78   8.253  -1.798   0.641
  575    HB   ILE  78           HB       ILE  78   6.390   0.591   0.912
  576   HG12  ILE  78          HG12      ILE  78   6.184  -2.035  -0.556
  577   HG13  ILE  78          HG11      ILE  78   5.188  -1.489   0.783
  578   HG21  ILE  78          HG21      ILE  78   7.944  -0.352  -1.514
  579   HG22  ILE  78          HG22      ILE  78   8.257   1.122  -0.597
  580   HG23  ILE  78          HG23      ILE  78   6.752   0.948  -1.498
  581   HD11  ILE  78          HD11      ILE  78   3.968  -1.357  -1.291
  582   HD12  ILE  78          HD12      ILE  78   5.219  -0.363  -2.013
  583   HD13  ILE  78          HD13      ILE  78   4.250   0.273  -0.676
  584    H    ASN  79           HN       ASN  79   8.084   0.677   3.107
  585    HA   ASN  79           HA       ASN  79  10.236   2.209   2.181
  586    HB2  ASN  79           HB2      ASN  79   9.056   1.910   4.937
  587    HB3  ASN  79           HB1      ASN  79  10.451   2.939   4.644
  588   HD21  ASN  79          HD21      ASN  79   7.821   3.749   5.541
  589   HD22  ASN  79          HD22      ASN  79   7.227   4.846   4.336
  590    H    GLY  80           HN       GLY  80  10.195  -0.623   4.244
  591    HA2  GLY  80           HA2      GLY  80  12.961  -0.669   4.802
  592    HA3  GLY  80           HA1      GLY  80  11.888  -2.066   4.814
  593    H    ALA  81           HN       ALA  81  11.055  -1.850   2.106
  594    HA   ALA  81           HA       ALA  81  13.210  -3.230   0.833
  595    HB1  ALA  81           HB1      ALA  81  11.662  -3.475  -1.053
  596    HB2  ALA  81           HB2      ALA  81  10.554  -2.328  -0.302
  597    HB3  ALA  81           HB3      ALA  81  10.867  -3.879   0.468
  598    H    LEU  82           HN       LEU  82  11.911  -0.010   0.723
  599    HA   LEU  82           HA       LEU  82  13.111   0.910  -1.636
  600    HB2  LEU  82           HB2      LEU  82  12.370   2.427   0.857
  601    HB3  LEU  82           HB1      LEU  82  12.876   3.185  -0.638
  602    HG   LEU  82           HG       LEU  82  10.406   1.501  -0.264
  603   HD11  LEU  82          HD11      LEU  82  10.747   4.457  -0.698
  604   HD12  LEU  82          HD12      LEU  82  10.225   3.670   0.793
  605   HD13  LEU  82          HD13      LEU  82   9.211   3.591  -0.648
  606   HD21  LEU  82          HD21      LEU  82  11.340   1.241  -2.489
  607   HD22  LEU  82          HD22      LEU  82  11.415   2.992  -2.674
  608   HD23  LEU  82          HD23      LEU  82   9.851   2.185  -2.537
  609    H    ALA  83           HN       ALA  83  14.445   0.299   1.453
  610    HA   ALA  83           HA       ALA  83  16.726   1.943   1.319
  611    HB1  ALA  83           HB1      ALA  83  17.636   0.528   3.076
  612    HB2  ALA  83           HB2      ALA  83  16.390  -0.681   2.767
  613    HB3  ALA  83           HB3      ALA  83  15.942   0.905   3.396
  614    H    GLU  84           HN       GLU  84  15.924  -0.978  -0.337
  615    HA   GLU  84           HA       GLU  84  18.710  -1.201  -1.253
  616    HB2  GLU  84           HB2      GLU  84  18.250  -3.568  -1.711
  617    HB3  GLU  84           HB1      GLU  84  18.005  -3.182  -0.013
  618    HG2  GLU  84           HG2      GLU  84  15.604  -3.114  -0.356
  619    HG3  GLU  84           HG1      GLU  84  15.833  -3.440  -2.071
  620    H    ALA  85           HN       ALA  85  16.149   0.296  -2.174
  621    HA   ALA  85           HA       ALA  85  16.292  -0.546  -4.976
  622    HB1  ALA  85           HB1      ALA  85  14.181  -1.343  -4.030
  623    HB2  ALA  85           HB2      ALA  85  13.900  -0.055  -5.205
  624    HB3  ALA  85           HB3      ALA  85  13.807   0.289  -3.479
  625    H    ALA  86           HN       ALA  86  15.218   1.367  -6.332
  626    HA   ALA  86           HA       ALA  86  16.336   3.823  -5.212
  627    HB1  ALA  86           HB1      ALA  86  17.805   2.914  -6.946
  628    HB2  ALA  86           HB2      ALA  86  17.073   4.433  -7.465
  629    HB3  ALA  86           HB3      ALA  86  16.456   2.899  -8.083
  630   H281  PSR  87          H28A      PSR  87  -8.786 -10.321  -6.929
  631   H282  PSR  87          H28B      PSR  87  -8.227  -9.274  -5.625
  632   H301  PSR  87          H30A      PSR  87  -6.627 -10.296  -7.936
  633   H302  PSR  87          H30B      PSR  87  -5.170 -10.686  -7.009
  634   H303  PSR  87          H30C      PSR  87  -6.080  -9.216  -6.650
  635   H311  PSR  87          H31A      PSR  87  -5.330 -11.398  -4.620
  636   H312  PSR  87          H31B      PSR  87  -6.898 -11.286  -3.815
  637   H313  PSR  87          H31C      PSR  87  -6.094  -9.833  -4.377
  638   H321  PSR  87          H32A      PSR  87  -6.095 -12.990  -6.321
  639   H331  PSR  87          H33A      PSR  87  -7.901 -13.475  -7.836
  640   H361  PSR  87          H36A      PSR  87  -7.258 -12.852  -3.963
  641   H371  PSR  87          H37A      PSR  87  -9.786 -13.722  -3.352
  642   H372  PSR  87          H37B      PSR  87  -8.942 -15.173  -3.855
  643   H381  PSR  87          H38A      PSR  87  -8.776 -15.068  -1.524
  644   H382  PSR  87          H38B      PSR  87  -7.164 -14.703  -2.169
  645   H411  PSR  87          H41A      PSR  87  -6.288 -13.450  -0.778
  646   H421  PSR  87          H42A      PSR  87  -7.320 -10.843  -0.102
  647   H422  PSR  87          H42B      PSR  87  -7.067 -11.950   1.253
  648   H431  PSR  87          H43A      PSR  87  -4.737 -12.262   0.570
  649   H432  PSR  87          H43B      PSR  87  -5.092 -10.548   0.861
  650   HC21  PSR  87          H2A       PSR  87  -1.254 -10.652  -2.085
  651   HC22  PSR  87          H2B       PSR  87  -2.572  -9.535  -2.452
  652   HC31  PSR  87          H3A       PSR  87  -3.582 -11.227  -3.921
  653   HC32  PSR  87          H3B       PSR  87  -2.246 -12.334  -3.541
  654   HC41  PSR  87          H4C       PSR  87  -0.668 -10.725  -4.467
  655   HC42  PSR  87          H4A       PSR  87  -1.994  -9.620  -4.825
  656   HC43  PSR  87          H4B       PSR  87  -1.888 -11.169  -5.665
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  21.408   5.727  -1.013
    2    H2   MET   1           HT2      MET   1  21.943   7.257  -1.492
    3    H3   MET   1           HT3      MET   1  20.947   6.312  -2.516
    4    HA   MET   1           HA       MET   1  20.145   7.404   0.107
    5    HB2  MET   1           HB2      MET   1  19.189   8.090  -2.688
    6    HB3  MET   1           HB1      MET   1  18.482   8.689  -1.201
    7    HG2  MET   1           HG2      MET   1  20.597   9.843  -0.701
    8    HG3  MET   1           HG1      MET   1  21.237   9.284  -2.247
    9    HE1  MET   1           HE1      MET   1  20.166   9.997  -4.627
   10    HE2  MET   1           HE2      MET   1  18.798  11.099  -4.784
   11    HE3  MET   1           HE3      MET   1  18.568   9.501  -4.070
   12    H    ALA   2           HN       ALA   2  18.162   6.705   0.817
   13    HA   ALA   2           HA       ALA   2  16.852   4.644  -0.797
   14    HB1  ALA   2           HB1      ALA   2  16.030   3.710   1.327
   15    HB2  ALA   2           HB2      ALA   2  16.929   4.943   2.212
   16    HB3  ALA   2           HB3      ALA   2  17.792   3.723   1.277
   17    H    THR   3           HN       THR   3  15.213   5.624  -1.731
   18    HA   THR   3           HA       THR   3  13.962   7.928  -0.510
   19    HB   THR   3           HB       THR   3  13.316   6.491  -3.027
   20    HG1  THR   3           HG1      THR   3  15.494   7.197  -3.082
   21   HG21  THR   3          HG21      THR   3  11.582   8.061  -2.305
   22   HG22  THR   3          HG22      THR   3  12.384   8.684  -3.745
   23   HG23  THR   3          HG23      THR   3  12.783   9.344  -2.160
   24    H    LEU   4           HN       LEU   4  12.575   7.413   1.060
   25    HA   LEU   4           HA       LEU   4  11.077   4.931   0.967
   26    HB2  LEU   4           HB2      LEU   4  11.150   7.070   3.094
   27    HB3  LEU   4           HB1      LEU   4  10.415   5.488   3.239
   28    HG   LEU   4           HG       LEU   4  13.362   6.076   3.004
   29   HD11  LEU   4          HD11      LEU   4  11.714   4.990   5.276
   30   HD12  LEU   4          HD12      LEU   4  12.432   6.597   5.185
   31   HD13  LEU   4          HD13      LEU   4  13.469   5.172   5.269
   32   HD21  LEU   4          HD21      LEU   4  13.667   3.661   3.345
   33   HD22  LEU   4          HD22      LEU   4  12.812   4.019   1.840
   34   HD23  LEU   4          HD23      LEU   4  11.915   3.448   3.246
   35    H    LEU   5           HN       LEU   5   8.771   5.240   1.884
   36    HA   LEU   5           HA       LEU   5   7.395   7.111   0.107
   37    HB2  LEU   5           HB2      LEU   5   6.351   4.895   1.853
   38    HB3  LEU   5           HB1      LEU   5   5.372   5.902   0.811
   39    HG   LEU   5           HG       LEU   5   7.500   3.995  -0.133
   40   HD11  LEU   5          HD11      LEU   5   4.489   3.802  -0.147
   41   HD12  LEU   5          HD12      LEU   5   5.577   2.877   0.888
   42   HD13  LEU   5          HD13      LEU   5   5.606   2.635  -0.859
   43   HD21  LEU   5          HD21      LEU   5   6.521   4.419  -2.327
   44   HD22  LEU   5          HD22      LEU   5   7.151   5.903  -1.611
   45   HD23  LEU   5          HD23      LEU   5   5.416   5.591  -1.609
   46    H    THR   6           HN       THR   6   6.182   8.768   0.895
   47    HA   THR   6           HA       THR   6   6.248   9.214   3.765
   48    HB   THR   6           HB       THR   6   5.403  11.475   3.159
   49    HG1  THR   6           HG1      THR   6   5.898  11.002   0.413
   50   HG21  THR   6          HG21      THR   6   7.849  10.645   1.573
   51   HG22  THR   6          HG22      THR   6   7.839  11.121   3.272
   52   HG23  THR   6          HG23      THR   6   7.435  12.300   2.024
   53    H    THR   7           HN       THR   7   4.003  10.321   4.475
   54    HA   THR   7           HA       THR   7   1.844   8.652   4.300
   55    HB   THR   7           HB       THR   7   1.662  11.667   4.396
   56    HG1  THR   7           HG1      THR   7   2.266   9.966   6.600
   57   HG21  THR   7          HG21      THR   7  -0.142  11.208   6.001
   58   HG22  THR   7          HG22      THR   7   0.150   9.476   5.842
   59   HG23  THR   7          HG23      THR   7  -0.450  10.398   4.464
   60    H    ASP   8           HN       ASP   8   2.649  11.542   2.451
   61    HA   ASP   8           HA       ASP   8   0.481  11.761   0.705
   62    HB2  ASP   8           HB2      ASP   8   2.231  13.461   1.171
   63    HB3  ASP   8           HB1      ASP   8   3.348  12.523   0.189
   64    H    ASP   9           HN       ASP   9   3.673  10.301   0.160
   65    HA   ASP   9           HA       ASP   9   3.148   9.477  -2.507
   66    HB2  ASP   9           HB2      ASP   9   5.248   8.464  -0.592
   67    HB3  ASP   9           HB1      ASP   9   5.153   7.990  -2.279
   68    H    LEU  10           HN       LEU  10   2.721   7.870   0.545
   69    HA   LEU  10           HA       LEU  10   2.005   5.355  -0.599
   70    HB2  LEU  10           HB2      LEU  10   2.771   5.549   1.721
   71    HB3  LEU  10           HB1      LEU  10   1.378   6.532   2.110
   72    HG   LEU  10           HG       LEU  10  -0.089   4.600   1.618
   73   HD11  LEU  10          HD11      LEU  10   1.356   3.382   0.085
   74   HD12  LEU  10          HD12      LEU  10   0.897   2.364   1.449
   75   HD13  LEU  10          HD13      LEU  10   2.507   3.082   1.387
   76   HD21  LEU  10          HD21      LEU  10   0.459   3.354   3.647
   77   HD22  LEU  10          HD22      LEU  10   0.584   5.098   3.886
   78   HD23  LEU  10          HD23      LEU  10   2.044   4.130   3.685
   79    H    ARG  11           HN       ARG  11   0.186   8.110   0.654
   80    HA   ARG  11           HA       ARG  11  -2.393   7.151   0.670
   81    HB2  ARG  11           HB2      ARG  11  -1.573   9.373   1.516
   82    HB3  ARG  11           HB1      ARG  11  -1.669   9.950  -0.137
   83    HG2  ARG  11           HG2      ARG  11  -4.081   9.399  -0.165
   84    HG3  ARG  11           HG1      ARG  11  -3.949   8.937   1.536
   85    HD2  ARG  11           HD2      ARG  11  -4.785  11.167   1.412
   86    HD3  ARG  11           HD1      ARG  11  -3.132  11.214   2.029
   87    HE   ARG  11           HE       ARG  11  -3.672  11.614  -0.802
   88   HH11  ARG  11          HH11      ARG  11  -2.359  12.853   2.274
   89   HH12  ARG  11          HH12      ARG  11  -1.767  14.301   1.579
   90   HH21  ARG  11          HH21      ARG  11  -2.879  13.651  -1.712
   91   HH22  ARG  11          HH22      ARG  11  -2.126  14.789  -0.693
   92    H    ARG  12           HN       ARG  12  -0.703   8.674  -1.973
   93    HA   ARG  12           HA       ARG  12  -2.801   8.879  -3.750
   94    HB2  ARG  12           HB2      ARG  12  -1.107   8.978  -5.544
   95    HB3  ARG  12           HB1      ARG  12  -0.709  10.004  -4.178
   96    HG2  ARG  12           HG2      ARG  12   0.864   8.272  -3.387
   97    HG3  ARG  12           HG1      ARG  12   0.493   7.331  -4.832
   98    HD2  ARG  12           HD2      ARG  12   1.287   9.170  -6.224
   99    HD3  ARG  12           HD1      ARG  12   1.666  10.101  -4.777
  100    HE   ARG  12           HE       ARG  12   2.982   7.694  -4.537
  101   HH11  ARG  12          HH11      ARG  12   3.103  10.576  -6.608
  102   HH12  ARG  12          HH12      ARG  12   4.729  10.329  -7.081
  103   HH21  ARG  12          HH21      ARG  12   5.362   7.421  -5.258
  104   HH22  ARG  12          HH22      ARG  12   5.945   8.624  -6.295
  105    H    ALA  13           HN       ALA  13  -0.775   6.075  -3.059
  106    HA   ALA  13           HA       ALA  13  -1.547   4.538  -5.311
  107    HB1  ALA  13           HB1      ALA  13   0.512   4.104  -4.070
  108    HB2  ALA  13           HB2      ALA  13  -0.509   2.664  -4.135
  109    HB3  ALA  13           HB3      ALA  13  -0.435   3.633  -2.662
  110    H    LEU  14           HN       LEU  14  -2.824   4.878  -2.081
  111    HA   LEU  14           HA       LEU  14  -4.685   2.716  -2.098
  112    HB2  LEU  14           HB2      LEU  14  -4.555   5.291  -0.543
  113    HB3  LEU  14           HB1      LEU  14  -5.863   4.144  -0.349
  114    HG   LEU  14           HG       LEU  14  -4.271   3.864   1.442
  115   HD11  LEU  14          HD11      LEU  14  -3.715   1.488   1.232
  116   HD12  LEU  14          HD12      LEU  14  -4.077   1.554  -0.482
  117   HD13  LEU  14          HD13      LEU  14  -5.354   1.841   0.700
  118   HD21  LEU  14          HD21      LEU  14  -2.265   4.744   0.386
  119   HD22  LEU  14          HD22      LEU  14  -2.188   3.337  -0.675
  120   HD23  LEU  14          HD23      LEU  14  -1.958   3.144   1.064
  121    H    VAL  15           HN       VAL  15  -5.031   6.145  -2.767
  122    HA   VAL  15           HA       VAL  15  -7.696   6.019  -3.644
  123    HB   VAL  15           HB       VAL  15  -5.601   8.119  -4.307
  124   HG11  VAL  15          HG11      VAL  15  -7.510   8.274  -5.824
  125   HG12  VAL  15          HG12      VAL  15  -7.475   9.636  -4.702
  126   HG13  VAL  15          HG13      VAL  15  -8.610   8.309  -4.445
  127   HG21  VAL  15          HG21      VAL  15  -7.644   8.006  -2.096
  128   HG22  VAL  15          HG22      VAL  15  -6.576   9.367  -2.439
  129   HG23  VAL  15          HG23      VAL  15  -5.900   7.824  -1.918
  130    H    GLU  16           HN       GLU  16  -4.769   5.232  -5.298
  131    HA   GLU  16           HA       GLU  16  -5.714   5.538  -7.981
  132    HB2  GLU  16           HB2      GLU  16  -3.420   3.924  -6.876
  133    HB3  GLU  16           HB1      GLU  16  -3.770   4.076  -8.587
  134    HG2  GLU  16           HG2      GLU  16  -3.054   6.325  -6.729
  135    HG3  GLU  16           HG1      GLU  16  -1.959   5.525  -7.850
  136    H    SER  17           HN       SER  17  -5.250   2.707  -5.876
  137    HA   SER  17           HA       SER  17  -6.110   0.879  -7.864
  138    HB2  SER  17           HB2      SER  17  -5.855  -0.714  -5.916
  139    HB3  SER  17           HB1      SER  17  -4.440   0.261  -6.308
  140    HG   SER  17           HG       SER  17  -4.710   0.473  -4.112
  141    H    ALA  18           HN       ALA  18  -7.415   1.781  -4.705
  142    HA   ALA  18           HA       ALA  18  -9.827   0.333  -4.977
  143    HB1  ALA  18           HB1      ALA  18 -10.546   1.525  -2.995
  144    HB2  ALA  18           HB2      ALA  18  -9.206   2.659  -3.181
  145    HB3  ALA  18           HB3      ALA  18  -8.884   0.962  -2.825
  146    H    GLY  19           HN       GLY  19  -8.850   3.494  -5.882
  147    HA2  GLY  19           HA2      GLY  19 -11.384   4.701  -6.122
  148    HA3  GLY  19           HA1      GLY  19  -9.906   5.246  -6.889
  149    H    GLU  20           HN       GLU  20  -9.943   2.296  -8.062
  150    HA   GLU  20           HA       GLU  20 -11.341   3.130 -10.452
  151    HB2  GLU  20           HB2      GLU  20  -9.795   0.589  -9.918
  152    HB3  GLU  20           HB1      GLU  20 -10.410   1.096 -11.484
  153    HG2  GLU  20           HG2      GLU  20  -8.348   2.565  -9.857
  154    HG3  GLU  20           HG1      GLU  20  -8.002   1.508 -11.219
  155    H    THR  21           HN       THR  21 -12.210   1.732  -7.729
  156    HA   THR  21           HA       THR  21 -14.633   0.616  -8.932
  157    HB   THR  21           HB       THR  21 -13.204  -0.571  -6.502
  158    HG1  THR  21           HG1      THR  21 -12.061  -1.230  -8.244
  159   HG21  THR  21          HG21      THR  21 -14.869  -2.374  -6.693
  160   HG22  THR  21          HG22      THR  21 -15.627  -1.536  -8.047
  161   HG23  THR  21          HG23      THR  21 -15.655  -0.816  -6.436
  162    H    ASP  22           HN       ASP  22 -15.538   2.648  -8.551
  163    HA   ASP  22           HA       ASP  22 -15.228   4.099  -6.174
  164    HB2  ASP  22           HB2      ASP  22 -15.963   5.147  -8.284
  165    HB3  ASP  22           HB1      ASP  22 -17.513   4.315  -8.140
  166    H    GLY  23           HN       GLY  23 -15.815   3.612  -4.327
  167    HA2  GLY  23           HA2      GLY  23 -18.190   3.189  -3.180
  168    HA3  GLY  23           HA1      GLY  23 -17.773   1.575  -3.772
  169    H    THR  24           HN       THR  24 -15.009   1.782  -3.578
  170    HA   THR  24           HA       THR  24 -14.662   1.962  -0.710
  171    HB   THR  24           HB       THR  24 -14.108  -0.253  -1.394
  172    HG1  THR  24           HG1      THR  24 -12.523   0.323   0.007
  173   HG21  THR  24          HG21      THR  24 -12.378   0.895  -3.598
  174   HG22  THR  24          HG22      THR  24 -13.919   0.066  -3.811
  175   HG23  THR  24          HG23      THR  24 -12.522  -0.818  -3.201
  176    H    ASP  25           HN       ASP  25 -14.618   4.230  -0.924
  177    HA   ASP  25           HA       ASP  25 -12.133   5.243  -2.108
  178    HB2  ASP  25           HB2      ASP  25 -14.206   6.374  -2.888
  179    HB3  ASP  25           HB1      ASP  25 -14.564   6.825  -1.224
  180    H    LEU  26           HN       LEU  26 -10.621   5.992  -0.883
  181    HA   LEU  26           HA       LEU  26 -11.109   6.452   1.946
  182    HB2  LEU  26           HB2      LEU  26  -9.280   5.066   2.663
  183    HB3  LEU  26           HB1      LEU  26 -10.341   4.098   1.683
  184    HG   LEU  26           HG       LEU  26  -7.608   5.143   0.915
  185   HD11  LEU  26          HD11      LEU  26  -7.545   3.348   2.493
  186   HD12  LEU  26          HD12      LEU  26  -6.989   2.791   0.915
  187   HD13  LEU  26          HD13      LEU  26  -8.607   2.373   1.478
  188   HD21  LEU  26          HD21      LEU  26  -9.542   3.483  -0.721
  189   HD22  LEU  26          HD22      LEU  26  -7.821   3.631  -1.047
  190   HD23  LEU  26          HD23      LEU  26  -8.836   5.058  -1.150
  191    H    SER  27           HN       SER  27 -10.880   8.304   0.001
  192    HA   SER  27           HA       SER  27  -8.262   9.301  -0.336
  193    HB2  SER  27           HB2      SER  27  -9.454  11.390  -1.066
  194    HB3  SER  27           HB1      SER  27  -9.966   9.930  -1.907
  195    HG   SER  27           HG       SER  27 -11.832   9.921  -0.842
  196    H    GLY  28           HN       GLY  28  -7.274  11.045   0.676
  197    HA2  GLY  28           HA2      GLY  28  -6.864  12.574   2.380
  198    HA3  GLY  28           HA1      GLY  28  -8.467  12.249   3.016
  199    H    ASP  29           HN       ASP  29  -8.437   9.601   3.640
  200    HA   ASP  29           HA       ASP  29  -6.060   9.114   5.198
  201    HB2  ASP  29           HB2      ASP  29  -7.423  10.531   6.687
  202    HB3  ASP  29           HB1      ASP  29  -8.739   9.364   6.577
  203    H    PHE  30           HN       PHE  30  -5.839   7.114   5.928
  204    HA   PHE  30           HA       PHE  30  -7.538   4.856   5.203
  205    HB2  PHE  30           HB2      PHE  30  -5.835   3.856   3.679
  206    HB3  PHE  30           HB1      PHE  30  -6.566   5.172   2.836
  207    HD1  PHE  30           HD2      PHE  30  -5.219   7.499   3.240
  208    HD2  PHE  30           HD1      PHE  30  -3.610   3.608   3.752
  209    HE1  PHE  30           HE2      PHE  30  -2.972   8.408   3.048
  210    HE2  PHE  30           HE1      PHE  30  -1.351   4.519   3.566
  211    HZ   PHE  30           HZ       PHE  30  -1.020   6.923   3.214
  212    H    LEU  31           HN       LEU  31  -4.607   6.247   6.449
  213    HA   LEU  31           HA       LEU  31  -2.774   4.278   6.541
  214    HB2  LEU  31           HB2      LEU  31  -2.328   6.569   6.860
  215    HB3  LEU  31           HB1      LEU  31  -3.114   6.574   8.434
  216    HG   LEU  31           HG       LEU  31  -1.327   4.959   9.188
  217   HD11  LEU  31          HD11      LEU  31  -0.067   5.746   6.561
  218   HD12  LEU  31          HD12      LEU  31  -0.647   4.139   6.998
  219   HD13  LEU  31          HD13      LEU  31   0.721   4.846   7.856
  220   HD21  LEU  31          HD21      LEU  31  -0.445   7.667   8.209
  221   HD22  LEU  31          HD22      LEU  31   0.362   6.702   9.443
  222   HD23  LEU  31          HD23      LEU  31  -1.261   7.329   9.735
  223    H    ASP  32           HN       ASP  32  -5.066   4.867   9.194
  224    HA   ASP  32           HA       ASP  32  -3.852   2.612  10.630
  225    HB2  ASP  32           HB2      ASP  32  -4.247   4.827  11.773
  226    HB3  ASP  32           HB1      ASP  32  -5.973   4.550  11.593
  227    H    LEU  33           HN       LEU  33  -6.222   3.032   8.402
  228    HA   LEU  33           HA       LEU  33  -8.239   1.389   9.663
  229    HB2  LEU  33           HB2      LEU  33  -8.164   2.693   6.939
  230    HB3  LEU  33           HB1      LEU  33  -9.475   1.684   7.493
  231    HG   LEU  33           HG       LEU  33 -10.235   3.865   7.698
  232   HD11  LEU  33          HD11      LEU  33 -10.825   2.586   9.609
  233   HD12  LEU  33          HD12      LEU  33 -10.555   4.262  10.085
  234   HD13  LEU  33          HD13      LEU  33  -9.330   3.038  10.427
  235   HD21  LEU  33          HD21      LEU  33  -9.035   5.697   8.826
  236   HD22  LEU  33          HD22      LEU  33  -8.145   5.069   7.438
  237   HD23  LEU  33          HD23      LEU  33  -7.657   4.622   9.070
  238    H    ARG  34           HN       ARG  34  -8.409  -0.634   9.440
  239    HA   ARG  34           HA       ARG  34  -6.386  -2.135   8.075
  240    HB2  ARG  34           HB2      ARG  34  -7.362  -2.548  10.384
  241    HB3  ARG  34           HB1      ARG  34  -8.811  -3.126   9.596
  242    HG2  ARG  34           HG2      ARG  34  -6.122  -4.377   9.129
  243    HG3  ARG  34           HG1      ARG  34  -7.160  -4.835  10.476
  244    HD2  ARG  34           HD2      ARG  34  -7.793  -4.983   7.559
  245    HD3  ARG  34           HD1      ARG  34  -7.413  -6.338   8.615
  246    HE   ARG  34           HE       ARG  34  -9.807  -4.665   9.134
  247   HH11  ARG  34          HH11      ARG  34  -8.376  -7.886   8.649
  248   HH12  ARG  34          HH12      ARG  34  -9.750  -8.712   9.150
  249   HH21  ARG  34          HH21      ARG  34 -11.653  -5.768   9.780
  250   HH22  ARG  34          HH22      ARG  34 -11.721  -7.483   9.799
  251    H    PHE  35           HN       PHE  35  -6.535  -3.238   6.200
  252    HA   PHE  35           HA       PHE  35  -8.076  -2.273   4.168
  253    HB2  PHE  35           HB2      PHE  35  -6.716  -4.949   4.167
  254    HB3  PHE  35           HB1      PHE  35  -7.315  -4.109   2.738
  255    HD1  PHE  35           HD2      PHE  35  -6.368  -1.759   2.297
  256    HD2  PHE  35           HD1      PHE  35  -4.643  -4.573   4.938
  257    HE1  PHE  35           HE2      PHE  35  -4.239  -0.539   2.189
  258    HE2  PHE  35           HE1      PHE  35  -2.548  -3.411   4.862
  259    HZ   PHE  35           HZ       PHE  35  -2.298  -1.365   3.471
  260    H    GLU  36           HN       GLU  36  -8.726  -5.442   5.620
  261    HA   GLU  36           HA       GLU  36 -10.898  -6.123   4.040
  262    HB2  GLU  36           HB2      GLU  36 -10.649  -6.656   6.994
  263    HB3  GLU  36           HB1      GLU  36 -11.742  -7.487   5.896
  264    HG2  GLU  36           HG2      GLU  36  -8.738  -7.537   5.793
  265    HG3  GLU  36           HG1      GLU  36  -9.785  -8.821   6.388
  266    H    ASP  37           HN       ASP  37 -10.855  -3.726   6.601
  267    HA   ASP  37           HA       ASP  37 -13.737  -3.571   6.617
  268    HB2  ASP  37           HB2      ASP  37 -11.651  -2.179   8.274
  269    HB3  ASP  37           HB1      ASP  37 -13.368  -1.806   8.373
  270    H    ILE  38           HN       ILE  38 -11.257  -2.156   4.843
  271    HA   ILE  38           HA       ILE  38 -12.823   0.290   4.478
  272    HB   ILE  38           HB       ILE  38 -10.875   1.122   3.093
  273   HG12  ILE  38          HG12      ILE  38  -9.525  -1.296   4.300
  274   HG13  ILE  38          HG11      ILE  38  -9.844  -1.083   2.594
  275   HG21  ILE  38          HG21      ILE  38 -10.361   0.484   5.984
  276   HG22  ILE  38          HG22      ILE  38 -11.243   1.874   5.348
  277   HG23  ILE  38          HG23      ILE  38  -9.519   1.707   5.030
  278   HD11  ILE  38          HD11      ILE  38  -7.945   0.541   4.284
  279   HD12  ILE  38          HD12      ILE  38  -8.248   0.781   2.552
  280   HD13  ILE  38          HD13      ILE  38  -7.543  -0.727   3.128
  281    H    GLY  39           HN       GLY  39 -13.461  -2.374   3.399
  282    HA2  GLY  39           HA2      GLY  39 -14.637  -3.049   1.529
  283    HA3  GLY  39           HA1      GLY  39 -14.420  -1.433   0.884
  284    H    TYR  40           HN       TYR  40 -11.657  -3.249   1.830
  285    HA   TYR  40           HA       TYR  40 -10.822  -3.310  -0.940
  286    HB2  TYR  40           HB2      TYR  40  -9.463  -3.395   1.681
  287    HB3  TYR  40           HB1      TYR  40  -8.684  -4.305   0.406
  288    HD1  TYR  40           HD2      TYR  40 -10.469  -1.057   0.468
  289    HD2  TYR  40           HD1      TYR  40  -6.847  -3.088  -0.369
  290    HE1  TYR  40           HE2      TYR  40  -9.507   1.041  -0.336
  291    HE2  TYR  40           HE1      TYR  40  -5.861  -0.987  -1.183
  292    HH   TYR  40           HH       TYR  40  -7.264   2.046  -0.629
  293    H    ASP  41           HN       ASP  41 -10.842  -5.023  -2.143
  294    HA   ASP  41           HA       ASP  41 -11.933  -7.443  -1.046
  295    HB2  ASP  41           HB2      ASP  41 -12.233  -8.115  -3.392
  296    HB3  ASP  41           HB1      ASP  41 -12.828  -6.483  -3.165
  297    H    SER  42           HN       SER  42  -9.258  -6.695  -3.154
  298    HA   SER  42           HA       SER  42  -7.160  -7.971  -1.926
  299    HB2  SER  42           HB2      SER  42  -7.048 -10.061  -3.386
  300    HB3  SER  42           HB1      SER  42  -8.279 -10.101  -2.117
  301    H    LEU  43           HN       LEU  43  -8.853  -7.496  -5.008
  302    HA   LEU  43           HA       LEU  43  -6.560  -7.066  -6.592
  303    HB2  LEU  43           HB2      LEU  43  -8.647  -7.509  -7.683
  304    HB3  LEU  43           HB1      LEU  43  -9.403  -6.130  -6.913
  305    HG   LEU  43           HG       LEU  43  -7.969  -4.617  -8.232
  306   HD11  LEU  43          HD11      LEU  43  -6.679  -5.466 -10.110
  307   HD12  LEU  43          HD12      LEU  43  -6.974  -7.125  -9.572
  308   HD13  LEU  43          HD13      LEU  43  -6.049  -6.008  -8.563
  309   HD21  LEU  43          HD21      LEU  43 -10.171  -5.198  -9.063
  310   HD22  LEU  43          HD22      LEU  43  -9.504  -6.611  -9.881
  311   HD23  LEU  43          HD23      LEU  43  -9.036  -4.991 -10.396
  312    H    ALA  44           HN       ALA  44  -8.757  -4.798  -5.018
  313    HA   ALA  44           HA       ALA  44  -7.328  -2.495  -5.751
  314    HB1  ALA  44           HB1      ALA  44  -9.007  -2.944  -3.275
  315    HB2  ALA  44           HB2      ALA  44  -9.612  -2.419  -4.848
  316    HB3  ALA  44           HB3      ALA  44  -8.526  -1.378  -3.929
  317    H    LEU  45           HN       LEU  45  -6.990  -4.701  -3.079
  318    HA   LEU  45           HA       LEU  45  -5.120  -3.118  -1.702
  319    HB2  LEU  45           HB2      LEU  45  -6.538  -4.806  -0.589
  320    HB3  LEU  45           HB1      LEU  45  -5.663  -6.077  -1.404
  321    HG   LEU  45           HG       LEU  45  -5.195  -5.392   1.112
  322   HD11  LEU  45          HD11      LEU  45  -2.984  -5.946  -0.888
  323   HD12  LEU  45          HD12      LEU  45  -3.990  -7.199  -0.141
  324   HD13  LEU  45          HD13      LEU  45  -2.875  -6.236   0.845
  325   HD21  LEU  45          HD21      LEU  45  -3.247  -3.955   1.285
  326   HD22  LEU  45          HD22      LEU  45  -4.674  -3.118   0.650
  327   HD23  LEU  45          HD23      LEU  45  -3.373  -3.626  -0.449
  328    H    MET  46           HN       MET  46  -4.616  -5.967  -3.805
  329    HA   MET  46           HA       MET  46  -1.802  -5.876  -3.501
  330    HB2  MET  46           HB2      MET  46  -1.672  -7.601  -5.101
  331    HB3  MET  46           HB1      MET  46  -3.204  -7.865  -4.296
  332    HG2  MET  46           HG2      MET  46  -3.756  -8.221  -6.517
  333    HG3  MET  46           HG1      MET  46  -4.174  -6.517  -6.274
  334    HE1  MET  46           HE1      MET  46  -3.732  -7.896  -9.177
  335    HE2  MET  46           HE2      MET  46  -2.839  -6.613  -9.995
  336    HE3  MET  46           HE3      MET  46  -4.208  -6.211  -8.958
  337    H    GLU  47           HN       GLU  47  -4.024  -4.309  -5.706
  338    HA   GLU  47           HA       GLU  47  -2.099  -3.573  -7.627
  339    HB2  GLU  47           HB2      GLU  47  -4.600  -3.697  -7.925
  340    HB3  GLU  47           HB1      GLU  47  -4.704  -2.179  -7.048
  341    HG2  GLU  47           HG2      GLU  47  -3.259  -1.152  -8.745
  342    HG3  GLU  47           HG1      GLU  47  -3.304  -2.660  -9.655
  343    H    THR  48           HN       THR  48  -3.102  -2.248  -4.608
  344    HA   THR  48           HA       THR  48  -2.051   0.368  -4.800
  345    HB   THR  48           HB       THR  48  -2.169  -1.479  -2.381
  346    HG1  THR  48           HG1      THR  48  -4.255  -1.276  -3.158
  347   HG21  THR  48          HG21      THR  48  -2.269   0.596  -1.067
  348   HG22  THR  48          HG22      THR  48  -2.106   1.544  -2.547
  349   HG23  THR  48          HG23      THR  48  -0.778   0.517  -2.007
  350    H    ALA  49           HN       ALA  49  -0.710  -2.665  -3.532
  351    HA   ALA  49           HA       ALA  49   1.911  -1.837  -3.068
  352    HB1  ALA  49           HB1      ALA  49   0.854  -4.554  -3.804
  353    HB2  ALA  49           HB2      ALA  49   1.032  -3.913  -2.160
  354    HB3  ALA  49           HB3      ALA  49   2.456  -4.219  -3.169
  355    H    ALA  50           HN       ALA  50   0.514  -3.581  -5.823
  356    HA   ALA  50           HA       ALA  50   2.775  -3.842  -7.387
  357    HB1  ALA  50           HB1      ALA  50   1.288  -4.241  -9.258
  358    HB2  ALA  50           HB2      ALA  50  -0.055  -3.518  -8.373
  359    HB3  ALA  50           HB3      ALA  50   0.666  -5.021  -7.804
  360    H    ARG  51           HN       ARG  51   0.587  -1.116  -7.170
  361    HA   ARG  51           HA       ARG  51   1.463   0.351  -9.413
  362    HB2  ARG  51           HB2      ARG  51  -0.558   0.741  -7.827
  363    HB3  ARG  51           HB1      ARG  51   0.586   1.563  -6.785
  364    HG2  ARG  51           HG2      ARG  51  -0.502   3.231  -8.026
  365    HG3  ARG  51           HG1      ARG  51   1.101   3.068  -8.746
  366    HD2  ARG  51           HD2      ARG  51  -0.540   3.218 -10.524
  367    HD3  ARG  51           HD1      ARG  51   0.134   1.587 -10.463
  368    HE   ARG  51           HE       ARG  51  -1.910   0.835  -9.412
  369   HH11  ARG  51          HH11      ARG  51  -2.087   4.008 -11.053
  370   HH12  ARG  51          HH12      ARG  51  -3.793   3.955 -11.161
  371   HH21  ARG  51          HH21      ARG  51  -4.376   0.834  -9.701
  372   HH22  ARG  51          HH22      ARG  51  -5.021   2.191 -10.430
  373    H    LEU  52           HN       LEU  52   2.408   0.417  -6.011
  374    HA   LEU  52           HA       LEU  52   4.534   2.287  -6.314
  375    HB2  LEU  52           HB2      LEU  52   3.902   0.389  -4.066
  376    HB3  LEU  52           HB1      LEU  52   5.086   1.682  -3.996
  377    HG   LEU  52           HG       LEU  52   2.119   2.073  -4.397
  378   HD11  LEU  52          HD11      LEU  52   3.841   2.569  -1.983
  379   HD12  LEU  52          HD12      LEU  52   2.627   1.306  -2.155
  380   HD13  LEU  52          HD13      LEU  52   2.140   3.005  -2.144
  381   HD21  LEU  52          HD21      LEU  52   3.430   3.813  -5.486
  382   HD22  LEU  52          HD22      LEU  52   4.341   4.079  -4.000
  383   HD23  LEU  52          HD23      LEU  52   2.618   4.454  -4.057
  384    H    GLU  53           HN       GLU  53   4.455  -1.250  -6.067
  385    HA   GLU  53           HA       GLU  53   7.154  -1.800  -5.854
  386    HB2  GLU  53           HB2      GLU  53   5.117  -3.335  -7.456
  387    HB3  GLU  53           HB1      GLU  53   6.718  -3.919  -7.062
  388    HG2  GLU  53           HG2      GLU  53   6.111  -3.872  -4.678
  389    HG3  GLU  53           HG1      GLU  53   4.502  -3.315  -5.136
  390    H    SER  54           HN       SER  54   5.241  -1.499  -8.766
  391    HA   SER  54           HA       SER  54   7.260  -2.035 -10.636
  392    HB2  SER  54           HB2      SER  54   4.838  -0.282 -11.069
  393    HB3  SER  54           HB1      SER  54   5.721  -1.208 -12.286
  394    HG   SER  54           HG       SER  54   3.979  -2.069 -10.270
  395    H    ARG  55           HN       ARG  55   6.207   0.973  -9.166
  396    HA   ARG  55           HA       ARG  55   7.600   2.689 -10.926
  397    HB2  ARG  55           HB2      ARG  55   5.627   3.380  -9.660
  398    HB3  ARG  55           HB1      ARG  55   6.550   3.252  -8.169
  399    HG2  ARG  55           HG2      ARG  55   7.949   5.080  -8.795
  400    HG3  ARG  55           HG1      ARG  55   7.262   5.119 -10.422
  401    HD2  ARG  55           HD2      ARG  55   5.827   5.720  -7.836
  402    HD3  ARG  55           HD1      ARG  55   6.276   6.881  -9.092
  403    HE   ARG  55           HE       ARG  55   4.804   4.963 -10.357
  404   HH11  ARG  55          HH11      ARG  55   4.182   7.429  -7.894
  405   HH12  ARG  55          HH12      ARG  55   2.485   7.425  -8.146
  406   HH21  ARG  55          HH21      ARG  55   2.496   4.898 -10.609
  407   HH22  ARG  55          HH22      ARG  55   1.501   5.958  -9.728
  408    H    TYR  56           HN       TYR  56   8.493   1.273  -7.819
  409    HA   TYR  56           HA       TYR  56  10.968   2.864  -7.942
  410    HB2  TYR  56           HB2      TYR  56  10.078   1.259  -5.551
  411    HB3  TYR  56           HB1      TYR  56  11.285   2.512  -5.636
  412    HD1  TYR  56           HD2      TYR  56  10.497   4.912  -6.336
  413    HD2  TYR  56           HD1      TYR  56   7.873   1.883  -4.891
  414    HE1  TYR  56           HE2      TYR  56   8.818   6.626  -5.756
  415    HE2  TYR  56           HE1      TYR  56   6.222   3.569  -4.317
  416    HH   TYR  56           HH       TYR  56   6.254   5.992  -3.741
  417    H    GLY  57           HN       GLY  57   9.859  -0.311  -8.441
  418    HA2  GLY  57           HA2      GLY  57  11.083  -2.080  -9.270
  419    HA3  GLY  57           HA1      GLY  57  12.565  -1.208  -8.903
  420    H    VAL  58           HN       VAL  58   9.812  -2.417  -7.027
  421    HA   VAL  58           HA       VAL  58  11.729  -3.801  -5.301
  422    HB   VAL  58           HB       VAL  58  10.328  -3.413  -3.303
  423   HG11  VAL  58          HG11      VAL  58  12.170  -1.908  -3.690
  424   HG12  VAL  58          HG12      VAL  58  10.821  -1.044  -2.952
  425   HG13  VAL  58          HG13      VAL  58  11.140  -0.868  -4.675
  426   HG21  VAL  58          HG21      VAL  58   8.160  -3.111  -4.363
  427   HG22  VAL  58          HG22      VAL  58   8.703  -1.593  -5.078
  428   HG23  VAL  58          HG23      VAL  58   8.534  -1.732  -3.326
  429    H    SER  59           HN       SER  59  10.340  -5.412  -3.765
  430    HA   SER  59           HA       SER  59   8.362  -6.736  -5.425
  431    HB2  SER  59           HB2      SER  59   9.603  -8.914  -4.917
  432    HB3  SER  59           HB1      SER  59  10.289  -7.858  -6.149
  433    HG   SER  59           HG       SER  59  11.136  -8.213  -3.459
  434    H    ILE  60           HN       ILE  60   6.648  -6.860  -4.142
  435    HA   ILE  60           HA       ILE  60   7.040  -7.467  -1.310
  436    HB   ILE  60           HB       ILE  60   4.565  -6.554  -2.809
  437   HG12  ILE  60          HG12      ILE  60   6.322  -5.080  -0.836
  438   HG13  ILE  60          HG11      ILE  60   6.324  -4.835  -2.580
  439   HG21  ILE  60          HG21      ILE  60   4.965  -6.984   0.161
  440   HG22  ILE  60          HG22      ILE  60   3.964  -7.970  -0.906
  441   HG23  ILE  60          HG23      ILE  60   3.523  -6.293  -0.589
  442   HD11  ILE  60          HD11      ILE  60   4.017  -4.324  -0.728
  443   HD12  ILE  60          HD12      ILE  60   4.030  -4.067  -2.476
  444   HD13  ILE  60          HD13      ILE  60   5.080  -3.107  -1.437
  445    HA   PRO  61           HA       PRO  61   6.099 -11.758  -2.238
  446    HB2  PRO  61           HB2      PRO  61   5.513 -11.662   0.688
  447    HB3  PRO  61           HB1      PRO  61   6.522 -12.801  -0.219
  448    HG2  PRO  61           HG2      PRO  61   7.655 -10.930   1.263
  449    HG3  PRO  61           HG1      PRO  61   8.310 -11.308  -0.343
  450    HD2  PRO  61           HD2      PRO  61   6.607  -9.010   0.521
  451    HD3  PRO  61           HD1      PRO  61   7.993  -9.028  -0.591
  452    H    ASP  62           HN       ASP  62   4.223 -12.503  -2.895
  453    HA   ASP  62           HA       ASP  62   1.761 -11.222  -2.550
  454    HB2  ASP  62           HB2      ASP  62   0.695 -13.121  -3.642
  455    HB3  ASP  62           HB1      ASP  62   2.211 -12.761  -4.445
  456    H    ASP  63           HN       ASP  63   3.285 -13.667  -0.641
  457    HA   ASP  63           HA       ASP  63   1.049 -14.344   0.989
  458    HB2  ASP  63           HB2      ASP  63   2.850 -15.855   1.093
  459    HB3  ASP  63           HB1      ASP  63   4.033 -14.574   1.316
  460    H    VAL  64           HN       VAL  64   3.606 -11.953   1.220
  461    HA   VAL  64           HA       VAL  64   2.775 -11.113   3.818
  462    HB   VAL  64           HB       VAL  64   4.835  -9.874   1.951
  463   HG11  VAL  64          HG11      VAL  64   3.990  -8.195   3.530
  464   HG12  VAL  64          HG12      VAL  64   5.652  -8.642   3.903
  465   HG13  VAL  64          HG13      VAL  64   4.327  -9.286   4.874
  466   HG21  VAL  64          HG21      VAL  64   6.467 -10.907   3.460
  467   HG22  VAL  64          HG22      VAL  64   5.424 -12.110   2.699
  468   HG23  VAL  64          HG23      VAL  64   5.149 -11.639   4.376
  469    H    ALA  65           HN       ALA  65   2.128 -10.124   0.552
  470    HA   ALA  65           HA       ALA  65   0.970  -7.627   1.124
  471    HB1  ALA  65           HB1      ALA  65   0.212  -9.526  -1.100
  472    HB2  ALA  65           HB2      ALA  65   1.516  -8.329  -1.158
  473    HB3  ALA  65           HB3      ALA  65  -0.159  -7.801  -1.006
  474    H    GLY  66           HN       GLY  66  -0.250 -10.876   1.463
  475    HA2  GLY  66           HA2      GLY  66  -2.903  -9.878   2.132
  476    HA3  GLY  66           HA1      GLY  66  -2.405 -11.567   2.104
  477    H    ARG  67           HN       ARG  67  -0.042 -10.000   3.667
  478    HA   ARG  67           HA       ARG  67  -1.156 -10.677   6.287
  479    HB2  ARG  67           HB2      ARG  67   1.667 -10.614   5.256
  480    HB3  ARG  67           HB1      ARG  67   1.294 -10.714   6.982
  481    HG2  ARG  67           HG2      ARG  67   0.170 -12.789   6.678
  482    HG3  ARG  67           HG1      ARG  67   0.260 -12.639   4.923
  483    HD2  ARG  67           HD2      ARG  67   1.912 -14.207   5.731
  484    HD3  ARG  67           HD1      ARG  67   2.684 -12.787   5.038
  485    HE   ARG  67           HE       ARG  67   2.351 -12.540   7.841
  486   HH11  ARG  67          HH11      ARG  67   4.369 -14.103   5.346
  487   HH12  ARG  67          HH12      ARG  67   5.757 -14.210   6.331
  488   HH21  ARG  67          HH21      ARG  67   4.227 -12.774   9.219
  489   HH22  ARG  67          HH22      ARG  67   5.648 -13.509   8.633
  490    H    VAL  68           HN       VAL  68  -0.395  -8.045   4.417
  491    HA   VAL  68           HA       VAL  68   0.145  -6.327   6.667
  492    HB   VAL  68           HB       VAL  68   0.104  -4.449   4.958
  493   HG11  VAL  68          HG11      VAL  68   2.169  -5.071   3.820
  494   HG12  VAL  68          HG12      VAL  68   1.919  -6.749   4.303
  495   HG13  VAL  68          HG13      VAL  68   2.194  -5.511   5.528
  496   HG21  VAL  68          HG21      VAL  68  -1.432  -5.428   3.322
  497   HG22  VAL  68          HG22      VAL  68  -0.248  -6.683   2.956
  498   HG23  VAL  68          HG23      VAL  68   0.105  -4.999   2.570
  499    H    ASP  69           HN       ASP  69  -1.508  -5.962   7.995
  500    HA   ASP  69           HA       ASP  69  -4.232  -5.954   6.948
  501    HB2  ASP  69           HB2      ASP  69  -3.231  -5.655   9.786
  502    HB3  ASP  69           HB1      ASP  69  -4.923  -5.681   9.318
  503    H    THR  70           HN       THR  70  -1.906  -3.803   8.378
  504    HA   THR  70           HA       THR  70  -3.784  -1.599   8.005
  505    HB   THR  70           HB       THR  70  -2.156  -0.294   9.362
  506    HG1  THR  70           HG1      THR  70  -0.999  -2.831  10.023
  507   HG21  THR  70          HG21      THR  70  -2.774  -1.306  11.523
  508   HG22  THR  70          HG22      THR  70  -3.277  -2.770  10.680
  509   HG23  THR  70          HG23      THR  70  -4.135  -1.255  10.407
  510    HA   PRO  71           HA       PRO  71  -1.411  -0.132   4.523
  511    HB2  PRO  71           HB2      PRO  71  -2.203   2.555   5.525
  512    HB3  PRO  71           HB1      PRO  71  -2.460   1.835   3.930
  513    HG2  PRO  71           HG2      PRO  71  -4.495   2.080   5.599
  514    HG3  PRO  71           HG1      PRO  71  -4.302   0.598   4.639
  515    HD2  PRO  71           HD2      PRO  71  -3.596   1.097   7.511
  516    HD3  PRO  71           HD1      PRO  71  -4.435  -0.298   6.806
  517    H    ARG  72           HN       ARG  72  -1.195   1.337   7.700
  518    HA   ARG  72           HA       ARG  72   1.276   2.569   7.556
  519    HB2  ARG  72           HB2      ARG  72  -0.122   2.832   9.492
  520    HB3  ARG  72           HB1      ARG  72  -0.028   1.121   9.865
  521    HG2  ARG  72           HG2      ARG  72   2.297   1.336  10.462
  522    HG3  ARG  72           HG1      ARG  72   2.309   3.023   9.935
  523    HD2  ARG  72           HD2      ARG  72   0.550   1.937  12.129
  524    HD3  ARG  72           HD1      ARG  72   2.110   2.714  12.403
  525    HE   ARG  72           HE       ARG  72   1.181   4.712  11.373
  526   HH11  ARG  72          HH11      ARG  72  -1.153   2.323  12.573
  527   HH12  ARG  72          HH12      ARG  72  -2.372   3.435  12.945
  528   HH21  ARG  72          HH21      ARG  72  -0.459   6.314  11.955
  529   HH22  ARG  72          HH22      ARG  72  -1.958   5.830  12.564
  530    H    GLU  73           HN       GLU  73   0.565  -0.862   8.242
  531    HA   GLU  73           HA       GLU  73   3.249  -1.672   8.528
  532    HB2  GLU  73           HB2      GLU  73   1.366  -3.050   9.298
  533    HB3  GLU  73           HB1      GLU  73   0.838  -3.273   7.637
  534    HG2  GLU  73           HG2      GLU  73   1.977  -5.244   8.375
  535    HG3  GLU  73           HG1      GLU  73   2.961  -4.436   7.159
  536    H    LEU  74           HN       LEU  74   1.083  -1.489   5.764
  537    HA   LEU  74           HA       LEU  74   2.807  -2.715   3.887
  538    HB2  LEU  74           HB2      LEU  74   0.325  -2.402   3.629
  539    HB3  LEU  74           HB1      LEU  74   0.589  -0.692   3.425
  540    HG   LEU  74           HG       LEU  74   0.048  -2.024   1.341
  541   HD11  LEU  74          HD11      LEU  74   1.005   0.192   1.162
  542   HD12  LEU  74          HD12      LEU  74   1.640  -0.865  -0.100
  543   HD13  LEU  74          HD13      LEU  74   2.630  -0.477   1.304
  544   HD21  LEU  74          HD21      LEU  74   2.867  -3.028   1.711
  545   HD22  LEU  74          HD22      LEU  74   1.874  -3.258   0.269
  546   HD23  LEU  74          HD23      LEU  74   1.392  -3.991   1.796
  547    H    LEU  75           HN       LEU  75   2.354   0.612   4.901
  548    HA   LEU  75           HA       LEU  75   4.127   1.949   3.229
  549    HB2  LEU  75           HB2      LEU  75   2.640   3.090   4.802
  550    HB3  LEU  75           HB1      LEU  75   3.524   2.416   6.149
  551    HG   LEU  75           HG       LEU  75   5.517   3.735   5.471
  552   HD11  LEU  75          HD11      LEU  75   5.041   3.947   3.110
  553   HD12  LEU  75          HD12      LEU  75   5.287   5.521   3.860
  554   HD13  LEU  75          HD13      LEU  75   3.657   4.978   3.466
  555   HD21  LEU  75          HD21      LEU  75   4.666   5.893   6.179
  556   HD22  LEU  75          HD22      LEU  75   3.997   4.586   7.160
  557   HD23  LEU  75          HD23      LEU  75   3.013   5.347   5.905
  558    H    ASP  76           HN       ASP  76   4.704   0.583   6.449
  559    HA   ASP  76           HA       ASP  76   7.471   1.109   6.486
  560    HB2  ASP  76           HB2      ASP  76   6.128   0.708   8.534
  561    HB3  ASP  76           HB1      ASP  76   5.985  -0.988   8.084
  562    H    LEU  77           HN       LEU  77   5.627  -1.623   5.355
  563    HA   LEU  77           HA       LEU  77   7.725  -3.459   5.013
  564    HB2  LEU  77           HB2      LEU  77   5.214  -3.904   4.898
  565    HB3  LEU  77           HB1      LEU  77   5.231  -3.191   3.308
  566    HG   LEU  77           HG       LEU  77   5.117  -5.665   3.282
  567   HD11  LEU  77          HD11      LEU  77   6.030  -4.583   1.331
  568   HD12  LEU  77          HD12      LEU  77   6.849  -6.117   1.628
  569   HD13  LEU  77          HD13      LEU  77   7.638  -4.598   2.049
  570   HD21  LEU  77          HD21      LEU  77   7.877  -5.539   4.481
  571   HD22  LEU  77          HD22      LEU  77   7.083  -6.994   3.873
  572   HD23  LEU  77          HD23      LEU  77   6.419  -6.146   5.267
  573    H    ILE  78           HN       ILE  78   6.271  -1.092   2.787
  574    HA   ILE  78           HA       ILE  78   8.207  -1.695   0.796
  575    HB   ILE  78           HB       ILE  78   6.354   0.728   0.883
  576   HG12  ILE  78          HG12      ILE  78   6.073  -1.975  -0.449
  577   HG13  ILE  78          HG11      ILE  78   5.089  -1.338   0.861
  578   HG21  ILE  78          HG21      ILE  78   7.919  -0.476  -1.411
  579   HG22  ILE  78          HG22      ILE  78   8.283   1.054  -0.607
  580   HG23  ILE  78          HG23      ILE  78   6.792   0.878  -1.533
  581   HD11  ILE  78          HD11      ILE  78   4.211   0.383  -0.661
  582   HD12  ILE  78          HD12      ILE  78   3.903  -1.256  -1.242
  583   HD13  ILE  78          HD13      ILE  78   5.189  -0.299  -1.966
  584    H    ASN  79           HN       ASN  79   8.023   0.535   3.429
  585    HA   ASN  79           HA       ASN  79  10.235   2.137   2.663
  586    HB2  ASN  79           HB2      ASN  79   8.988   1.563   5.331
  587    HB3  ASN  79           HB1      ASN  79  10.530   2.395   5.267
  588   HD21  ASN  79          HD21      ASN  79   7.916   2.811   2.930
  589   HD22  ASN  79          HD22      ASN  79   7.538   4.438   3.419
  590    H    GLY  80           HN       GLY  80  10.030  -0.874   4.471
  591    HA2  GLY  80           HA2      GLY  80  12.795  -1.146   4.956
  592    HA3  GLY  80           HA1      GLY  80  11.627  -2.465   4.893
  593    H    ALA  81           HN       ALA  81  10.762  -2.004   2.251
  594    HA   ALA  81           HA       ALA  81  12.734  -3.433   0.786
  595    HB1  ALA  81           HB1      ALA  81  10.239  -2.044  -0.193
  596    HB2  ALA  81           HB2      ALA  81  10.334  -3.709   0.380
  597    HB3  ALA  81           HB3      ALA  81  11.178  -3.232  -1.093
  598    H    LEU  82           HN       LEU  82  11.573  -0.093   0.708
  599    HA   LEU  82           HA       LEU  82  13.132   0.787  -1.445
  600    HB2  LEU  82           HB2      LEU  82  11.754   2.267   0.768
  601    HB3  LEU  82           HB1      LEU  82  12.568   3.055  -0.567
  602    HG   LEU  82           HG       LEU  82  10.239   1.160  -0.861
  603   HD11  LEU  82          HD11      LEU  82  10.329   4.160  -1.024
  604   HD12  LEU  82          HD12      LEU  82   9.565   3.213   0.248
  605   HD13  LEU  82          HD13      LEU  82   8.935   3.148  -1.399
  606   HD21  LEU  82          HD21      LEU  82  11.621   2.954  -2.844
  607   HD22  LEU  82          HD22      LEU  82  10.179   1.990  -3.152
  608   HD23  LEU  82          HD23      LEU  82  11.712   1.194  -2.790
  609    H    ALA  83           HN       ALA  83  13.883   0.275   1.848
  610    HA   ALA  83           HA       ALA  83  16.070   2.025   2.104
  611    HB1  ALA  83           HB1      ALA  83  16.770   0.591   3.955
  612    HB2  ALA  83           HB2      ALA  83  15.635  -0.653   3.431
  613    HB3  ALA  83           HB3      ALA  83  15.034   0.895   4.020
  614    H    GLU  84           HN       GLU  84  15.641  -0.833   0.292
  615    HA   GLU  84           HA       GLU  84  18.511  -0.901  -0.367
  616    HB2  GLU  84           HB2      GLU  84  16.626  -3.247  -0.144
  617    HB3  GLU  84           HB1      GLU  84  18.295  -3.321  -0.683
  618    HG2  GLU  84           HG2      GLU  84  19.038  -2.584   1.517
  619    HG3  GLU  84           HG1      GLU  84  17.359  -2.507   2.050
  620    H    ALA  85           HN       ALA  85  15.978   0.323  -1.542
  621    HA   ALA  85           HA       ALA  85  15.733  -1.178  -4.039
  622    HB1  ALA  85           HB1      ALA  85  13.665  -0.435  -2.974
  623    HB2  ALA  85           HB2      ALA  85  13.873   0.307  -4.558
  624    HB3  ALA  85           HB3      ALA  85  14.203   1.241  -3.096
  625    H    ALA  86           HN       ALA  86  15.962  -0.131  -6.048
  626    HA   ALA  86           HA       ALA  86  18.094   1.851  -5.961
  627    HB1  ALA  86           HB1      ALA  86  18.543   1.200  -8.279
  628    HB2  ALA  86           HB2      ALA  86  17.156   0.111  -8.248
  629    HB3  ALA  86           HB3      ALA  86  18.551  -0.207  -7.218
  630   H281  PSR  87          H28A      PSR  87  -7.970 -10.662  -7.242
  631   H282  PSR  87          H28B      PSR  87  -7.514  -9.493  -6.011
  632   H301  PSR  87          H30A      PSR  87  -4.599  -9.730  -8.186
  633   H302  PSR  87          H30B      PSR  87  -5.662  -8.633  -7.336
  634   H303  PSR  87          H30C      PSR  87  -6.316  -9.680  -8.613
  635   H311  PSR  87          H31A      PSR  87  -5.150  -9.334  -5.227
  636   H312  PSR  87          H31B      PSR  87  -3.937 -10.439  -5.854
  637   H313  PSR  87          H31C      PSR  87  -5.195 -11.033  -4.772
  638   H321  PSR  87          H32A      PSR  87  -4.472 -12.115  -7.626
  639   H331  PSR  87          H33A      PSR  87  -6.810 -12.966  -8.436
  640   H361  PSR  87          H36A      PSR  87  -4.623 -12.793  -5.103
  641   H371  PSR  87          H37A      PSR  87  -6.170 -14.310  -3.628
  642   H372  PSR  87          H37B      PSR  87  -6.238 -15.237  -5.077
  643   H381  PSR  87          H38A      PSR  87  -4.798 -16.487  -4.067
  644   H382  PSR  87          H38B      PSR  87  -3.620 -15.411  -4.934
  645   H411  PSR  87          H41A      PSR  87  -4.606 -13.593  -2.635
  646   H421  PSR  87          H42A      PSR  87  -4.036 -14.629  -0.221
  647   H422  PSR  87          H42B      PSR  87  -2.507 -13.908  -0.816
  648   H431  PSR  87          H43A      PSR  87  -4.378 -12.574   0.573
  649   H432  PSR  87          H43B      PSR  87  -5.059 -12.415  -1.107
  650   HC21  PSR  87          H2A       PSR  87  -1.470  -9.823  -2.291
  651   HC22  PSR  87          H2B       PSR  87  -2.572  -9.447  -3.615
  652   HC31  PSR  87          H3A       PSR  87  -1.675 -11.319  -4.906
  653   HC32  PSR  87          H3B       PSR  87  -0.578 -11.711  -3.568
  654   HC41  PSR  87          H4C       PSR  87  -0.645  -9.123  -5.115
  655   HC42  PSR  87          H4A       PSR  87   0.554 -10.401  -5.300
  656   HC43  PSR  87          H4B       PSR  87   0.446  -9.498  -3.786
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  20.986   5.226   0.741
    2    H2   MET   1           HT2      MET   1  21.897   6.639   0.944
    3    H3   MET   1           HT3      MET   1  20.767   6.521  -0.320
    4    HA   MET   1           HA       MET   1  20.109   6.462   2.536
    5    HB2  MET   1           HB2      MET   1  20.916   8.682   1.859
    6    HB3  MET   1           HB1      MET   1  19.814   8.677   0.491
    7    HG2  MET   1           HG2      MET   1  18.966  10.079   2.274
    8    HG3  MET   1           HG1      MET   1  17.910   8.692   2.017
    9    HE1  MET   1           HE1      MET   1  21.384   8.692   3.842
   10    HE2  MET   1           HE2      MET   1  20.912   9.009   5.510
   11    HE3  MET   1           HE3      MET   1  20.710  10.260   4.285
   12    H    ALA   2           HN       ALA   2  18.371   5.353   2.796
   13    HA   ALA   2           HA       ALA   2  16.685   4.482   0.696
   14    HB1  ALA   2           HB1      ALA   2  15.317   3.537   2.481
   15    HB2  ALA   2           HB2      ALA   2  16.217   4.469   3.679
   16    HB3  ALA   2           HB3      ALA   2  17.027   3.204   2.756
   17    H    THR   3           HN       THR   3  15.482   5.931  -0.397
   18    HA   THR   3           HA       THR   3  14.284   8.177   0.931
   19    HB   THR   3           HB       THR   3  15.070   8.523  -1.337
   20    HG1  THR   3           HG1      THR   3  12.287   8.490  -1.772
   21   HG21  THR   3          HG21      THR   3  14.114   7.376  -3.307
   22   HG22  THR   3          HG22      THR   3  13.174   6.339  -2.235
   23   HG23  THR   3          HG23      THR   3  14.936   6.248  -2.227
   24    H    LEU   4           HN       LEU   4  12.651   7.782   2.214
   25    HA   LEU   4           HA       LEU   4  11.041   5.424   1.792
   26    HB2  LEU   4           HB2      LEU   4  10.999   7.387   4.071
   27    HB3  LEU   4           HB1      LEU   4  10.134   5.864   4.001
   28    HG   LEU   4           HG       LEU   4  13.118   6.245   4.143
   29   HD11  LEU   4          HD11      LEU   4  11.148   5.011   6.036
   30   HD12  LEU   4          HD12      LEU   4  11.975   6.559   6.251
   31   HD13  LEU   4          HD13      LEU   4  12.894   5.046   6.255
   32   HD21  LEU   4          HD21      LEU   4  12.604   4.374   2.667
   33   HD22  LEU   4          HD22      LEU   4  11.536   3.688   3.895
   34   HD23  LEU   4          HD23      LEU   4  13.270   3.798   4.196
   35    H    LEU   5           HN       LEU   5   8.797   5.433   1.863
   36    HA   LEU   5           HA       LEU   5   7.629   7.535   0.275
   37    HB2  LEU   5           HB2      LEU   5   6.341   5.111   1.522
   38    HB3  LEU   5           HB1      LEU   5   5.581   6.213   0.398
   39    HG   LEU   5           HG       LEU   5   7.914   4.422  -0.239
   40   HD11  LEU   5          HD11      LEU   5   4.991   4.220  -0.961
   41   HD12  LEU   5          HD12      LEU   5   5.851   3.178   0.171
   42   HD13  LEU   5          HD13      LEU   5   6.274   3.159  -1.542
   43   HD21  LEU   5          HD21      LEU   5   6.195   6.170  -1.983
   44   HD22  LEU   5          HD22      LEU   5   7.461   5.075  -2.540
   45   HD23  LEU   5          HD23      LEU   5   7.877   6.473  -1.548
   46    H    THR   6           HN       THR   6   5.992   8.877   0.914
   47    HA   THR   6           HA       THR   6   5.659   9.146   3.768
   48    HB   THR   6           HB       THR   6   4.603  11.367   3.008
   49    HG1  THR   6           HG1      THR   6   5.350  12.025   0.916
   50   HG21  THR   6          HG21      THR   6   6.841  11.218   3.992
   51   HG22  THR   6          HG22      THR   6   6.814  12.422   2.701
   52   HG23  THR   6          HG23      THR   6   7.515  10.829   2.411
   53    H    THR   7           HN       THR   7   3.455   9.395   4.585
   54    HA   THR   7           HA       THR   7   1.650   7.507   3.742
   55    HB   THR   7           HB       THR   7   0.878  10.084   5.103
   56    HG1  THR   7           HG1      THR   7   1.738   9.283   6.940
   57   HG21  THR   7          HG21      THR   7  -0.951   8.551   4.563
   58   HG22  THR   7          HG22      THR   7  -0.686   8.583   6.310
   59   HG23  THR   7          HG23      THR   7  -0.092   7.230   5.349
   60    H    ASP   8           HN       ASP   8   1.849  10.927   2.923
   61    HA   ASP   8           HA       ASP   8  -0.491  11.162   1.398
   62    HB2  ASP   8           HB2      ASP   8   2.111  12.643   0.994
   63    HB3  ASP   8           HB1      ASP   8   0.566  13.084   0.271
   64    H    ASP   9           HN       ASP   9   2.748  10.187   0.423
   65    HA   ASP   9           HA       ASP   9   2.104  10.022  -2.347
   66    HB2  ASP   9           HB2      ASP   9   4.463  10.221  -1.337
   67    HB3  ASP   9           HB1      ASP   9   4.331   8.505  -0.993
   68    H    LEU  10           HN       LEU  10   2.132   7.766   0.312
   69    HA   LEU  10           HA       LEU  10   1.453   5.413  -1.114
   70    HB2  LEU  10           HB2      LEU  10   2.233   5.345   1.194
   71    HB3  LEU  10           HB1      LEU  10   0.823   6.240   1.723
   72    HG   LEU  10           HG       LEU  10  -0.572   4.289   0.926
   73   HD11  LEU  10          HD11      LEU  10   2.090   2.907   0.798
   74   HD12  LEU  10          HD12      LEU  10   1.013   3.249  -0.555
   75   HD13  LEU  10          HD13      LEU  10   0.512   2.122   0.705
   76   HD21  LEU  10          HD21      LEU  10  -0.132   4.673   3.277
   77   HD22  LEU  10          HD22      LEU  10   1.395   3.799   3.156
   78   HD23  LEU  10          HD23      LEU  10  -0.131   2.945   2.926
   79    H    ARG  11           HN       ARG  11  -0.450   7.937   0.435
   80    HA   ARG  11           HA       ARG  11  -3.047   6.994   0.231
   81    HB2  ARG  11           HB2      ARG  11  -2.031   9.274   1.172
   82    HB3  ARG  11           HB1      ARG  11  -2.507   9.870  -0.410
   83    HG2  ARG  11           HG2      ARG  11  -4.815   8.830   0.161
   84    HG3  ARG  11           HG1      ARG  11  -4.171   8.824   1.814
   85    HD2  ARG  11           HD2      ARG  11  -4.612  11.209   0.023
   86    HD3  ARG  11           HD1      ARG  11  -5.488  10.798   1.488
   87    HE   ARG  11           HE       ARG  11  -2.677  11.676   1.374
   88   HH11  ARG  11          HH11      ARG  11  -5.594  11.193   3.299
   89   HH12  ARG  11          HH12      ARG  11  -5.150  12.317   4.505
   90   HH21  ARG  11          HH21      ARG  11  -2.071  13.251   3.049
   91   HH22  ARG  11          HH22      ARG  11  -3.147  13.524   4.335
   92    H    ARG  12           HN       ARG  12  -1.159   8.822  -2.064
   93    HA   ARG  12           HA       ARG  12  -3.021   9.192  -4.102
   94    HB2  ARG  12           HB2      ARG  12  -0.047   8.718  -4.381
   95    HB3  ARG  12           HB1      ARG  12  -1.078   9.447  -5.602
   96    HG2  ARG  12           HG2      ARG  12  -1.437  11.356  -4.245
   97    HG3  ARG  12           HG1      ARG  12  -0.669  10.586  -2.856
   98    HD2  ARG  12           HD2      ARG  12   1.457  10.543  -4.110
   99    HD3  ARG  12           HD1      ARG  12   0.666  11.408  -5.435
  100    HE   ARG  12           HE       ARG  12   0.111  13.049  -3.533
  101   HH11  ARG  12          HH11      ARG  12   3.238  11.350  -3.925
  102   HH12  ARG  12          HH12      ARG  12   4.134  12.582  -3.182
  103   HH21  ARG  12          HH21      ARG  12   1.362  14.687  -2.446
  104   HH22  ARG  12          HH22      ARG  12   3.054  14.513  -2.302
  105    H    ALA  13           HN       ALA  13  -0.637   6.589  -3.757
  106    HA   ALA  13           HA       ALA  13  -1.443   5.190  -6.072
  107    HB1  ALA  13           HB1      ALA  13   0.780   4.933  -5.078
  108    HB2  ALA  13           HB2      ALA  13  -0.044   3.383  -5.266
  109    HB3  ALA  13           HB3      ALA  13   0.055   4.141  -3.680
  110    H    LEU  14           HN       LEU  14  -2.270   4.822  -2.650
  111    HA   LEU  14           HA       LEU  14  -3.681   2.410  -2.952
  112    HB2  LEU  14           HB2      LEU  14  -2.711   3.484  -0.844
  113    HB3  LEU  14           HB1      LEU  14  -4.140   4.490  -0.835
  114    HG   LEU  14           HG       LEU  14  -5.554   2.490  -0.561
  115   HD11  LEU  14          HD11      LEU  14  -2.922   1.024  -0.386
  116   HD12  LEU  14          HD12      LEU  14  -4.099   0.874  -1.693
  117   HD13  LEU  14          HD13      LEU  14  -4.514   0.338  -0.066
  118   HD21  LEU  14          HD21      LEU  14  -3.294   2.706   1.399
  119   HD22  LEU  14          HD22      LEU  14  -4.876   1.979   1.718
  120   HD23  LEU  14          HD23      LEU  14  -4.741   3.706   1.373
  121    H    VAL  15           HN       VAL  15  -4.823   5.768  -2.618
  122    HA   VAL  15           HA       VAL  15  -7.535   5.172  -2.999
  123    HB   VAL  15           HB       VAL  15  -6.167   7.884  -3.493
  124   HG11  VAL  15          HG11      VAL  15  -8.340   8.857  -3.099
  125   HG12  VAL  15          HG12      VAL  15  -9.047   7.248  -2.948
  126   HG13  VAL  15          HG13      VAL  15  -8.378   7.777  -4.493
  127   HG21  VAL  15          HG21      VAL  15  -7.475   6.808  -0.987
  128   HG22  VAL  15          HG22      VAL  15  -6.863   8.446  -1.241
  129   HG23  VAL  15          HG23      VAL  15  -5.748   7.085  -1.250
  130    H    GLU  16           HN       GLU  16  -4.979   5.413  -5.241
  131    HA   GLU  16           HA       GLU  16  -6.385   6.079  -7.612
  132    HB2  GLU  16           HB2      GLU  16  -3.839   6.047  -7.131
  133    HB3  GLU  16           HB1      GLU  16  -3.933   4.336  -7.507
  134    HG2  GLU  16           HG2      GLU  16  -3.209   5.543  -9.438
  135    HG3  GLU  16           HG1      GLU  16  -4.838   4.922  -9.730
  136    H    SER  17           HN       SER  17  -5.589   3.038  -5.992
  137    HA   SER  17           HA       SER  17  -6.709   1.420  -8.068
  138    HB2  SER  17           HB2      SER  17  -5.727   0.752  -5.296
  139    HB3  SER  17           HB1      SER  17  -6.158  -0.465  -6.496
  140    HG   SER  17           HG       SER  17  -4.700   0.581  -7.874
  141    H    ALA  18           HN       ALA  18  -7.934   3.096  -5.428
  142    HA   ALA  18           HA       ALA  18 -10.269   1.431  -5.095
  143    HB1  ALA  18           HB1      ALA  18  -9.450   2.750  -3.190
  144    HB2  ALA  18           HB2      ALA  18 -11.089   3.230  -3.629
  145    HB3  ALA  18           HB3      ALA  18  -9.720   4.236  -4.100
  146    H    GLY  19           HN       GLY  19  -9.524   4.636  -6.454
  147    HA2  GLY  19           HA2      GLY  19 -10.423   5.064  -8.726
  148    HA3  GLY  19           HA1      GLY  19 -11.911   4.320  -8.147
  149    H    GLU  20           HN       GLU  20 -11.479   5.637  -5.541
  150    HA   GLU  20           HA       GLU  20 -12.682   7.116  -4.508
  151    HB2  GLU  20           HB2      GLU  20 -11.846   9.421  -4.504
  152    HB3  GLU  20           HB1      GLU  20 -10.561   8.248  -4.396
  153    HG2  GLU  20           HG2      GLU  20  -9.879   8.686  -6.651
  154    HG3  GLU  20           HG1      GLU  20 -11.317   9.670  -6.944
  155    H    THR  21           HN       THR  21 -14.397   6.297  -5.880
  156    HA   THR  21           HA       THR  21 -15.946   8.635  -6.546
  157    HB   THR  21           HB       THR  21 -14.847   8.113  -8.710
  158    HG1  THR  21           HG1      THR  21 -17.636   7.555  -8.732
  159   HG21  THR  21          HG21      THR  21 -14.604   5.715  -8.456
  160   HG22  THR  21          HG22      THR  21 -15.465   6.093  -9.948
  161   HG23  THR  21          HG23      THR  21 -16.353   5.509  -8.539
  162    H    ASP  22           HN       ASP  22 -15.869   6.236  -4.688
  163    HA   ASP  22           HA       ASP  22 -18.674   5.484  -5.131
  164    HB2  ASP  22           HB2      ASP  22 -16.501   4.101  -3.537
  165    HB3  ASP  22           HB1      ASP  22 -18.204   3.741  -3.284
  166    H    GLY  23           HN       GLY  23 -16.394   6.852  -2.947
  167    HA2  GLY  23           HA2      GLY  23 -17.243   8.773  -1.666
  168    HA3  GLY  23           HA1      GLY  23 -18.601   7.730  -1.213
  169    H    THR  24           HN       THR  24 -18.042   5.678  -0.236
  170    HA   THR  24           HA       THR  24 -15.855   6.016   1.615
  171    HB   THR  24           HB       THR  24 -17.799   3.692   1.503
  172    HG1  THR  24           HG1      THR  24 -19.051   5.512   1.726
  173   HG21  THR  24          HG21      THR  24 -16.161   4.911   3.744
  174   HG22  THR  24          HG22      THR  24 -15.789   3.405   2.905
  175   HG23  THR  24          HG23      THR  24 -17.241   3.525   3.896
  176    H    ASP  25           HN       ASP  25 -14.631   5.901  -0.497
  177    HA   ASP  25           HA       ASP  25 -13.962   3.289  -1.498
  178    HB2  ASP  25           HB2      ASP  25 -12.450   5.929  -1.695
  179    HB3  ASP  25           HB1      ASP  25 -12.106   4.488  -2.637
  180    H    LEU  26           HN       LEU  26 -12.571   5.738   0.514
  181    HA   LEU  26           HA       LEU  26 -11.863   4.307   2.684
  182    HB2  LEU  26           HB2      LEU  26  -9.396   4.202   2.645
  183    HB3  LEU  26           HB1      LEU  26 -10.018   3.246   1.337
  184    HG   LEU  26           HG       LEU  26  -8.711   5.979   1.039
  185   HD11  LEU  26          HD11      LEU  26  -6.860   4.752   0.115
  186   HD12  LEU  26          HD12      LEU  26  -7.678   3.233   0.479
  187   HD13  LEU  26          HD13      LEU  26  -7.172   4.299   1.791
  188   HD21  LEU  26          HD21      LEU  26  -9.483   3.948  -1.063
  189   HD22  LEU  26          HD22      LEU  26  -8.666   5.484  -1.349
  190   HD23  LEU  26          HD23      LEU  26 -10.336   5.462  -0.779
  191    H    SER  27           HN       SER  27 -10.474   6.730   0.646
  192    HA   SER  27           HA       SER  27 -10.443   8.974   0.590
  193    HB2  SER  27           HB2      SER  27 -12.930   8.763   2.146
  194    HB3  SER  27           HB1      SER  27 -12.482  10.068   1.047
  195    HG   SER  27           HG       SER  27 -13.954   8.236   0.314
  196    H    GLY  28           HN       GLY  28  -8.942  10.027   1.498
  197    HA2  GLY  28           HA2      GLY  28  -8.240  11.661   3.028
  198    HA3  GLY  28           HA1      GLY  28  -9.481  11.089   4.145
  199    H    ASP  29           HN       ASP  29  -8.869   9.860   5.782
  200    HA   ASP  29           HA       ASP  29  -6.156   8.801   5.627
  201    HB2  ASP  29           HB2      ASP  29  -6.426  10.447   7.426
  202    HB3  ASP  29           HB1      ASP  29  -7.727   9.483   8.119
  203    H    PHE  30           HN       PHE  30  -5.730   6.853   6.417
  204    HA   PHE  30           HA       PHE  30  -7.850   4.865   6.828
  205    HB2  PHE  30           HB2      PHE  30  -7.134   3.624   4.698
  206    HB3  PHE  30           HB1      PHE  30  -7.848   5.186   4.437
  207    HD1  PHE  30           HD1      PHE  30  -4.444   3.785   4.951
  208    HD2  PHE  30           HD2      PHE  30  -6.842   6.656   2.943
  209    HE1  PHE  30           HE1      PHE  30  -2.526   4.482   3.614
  210    HE2  PHE  30           HE2      PHE  30  -4.899   7.352   1.606
  211    HZ   PHE  30           HZ       PHE  30  -2.735   6.500   2.114
  212    H    LEU  31           HN       LEU  31  -4.872   6.100   7.525
  213    HA   LEU  31           HA       LEU  31  -3.007   4.186   6.914
  214    HB2  LEU  31           HB2      LEU  31  -2.569   6.508   7.318
  215    HB3  LEU  31           HB1      LEU  31  -2.908   6.320   9.030
  216    HG   LEU  31           HG       LEU  31  -0.942   4.804   9.208
  217   HD11  LEU  31          HD11      LEU  31  -0.499   5.605   6.332
  218   HD12  LEU  31          HD12      LEU  31  -0.886   3.988   6.922
  219   HD13  LEU  31          HD13      LEU  31   0.653   4.735   7.342
  220   HD21  LEU  31          HD21      LEU  31  -0.732   7.180   9.718
  221   HD22  LEU  31          HD22      LEU  31  -0.381   7.521   8.023
  222   HD23  LEU  31          HD23      LEU  31   0.745   6.560   8.982
  223    H    ASP  32           HN       ASP  32  -4.689   4.562  10.043
  224    HA   ASP  32           HA       ASP  32  -3.404   2.073  10.918
  225    HB2  ASP  32           HB2      ASP  32  -4.909   4.174  12.475
  226    HB3  ASP  32           HB1      ASP  32  -4.469   2.620  13.164
  227    H    LEU  33           HN       LEU  33  -5.948   2.695   9.173
  228    HA   LEU  33           HA       LEU  33  -7.818   1.008  10.607
  229    HB2  LEU  33           HB2      LEU  33  -8.026   2.432   7.939
  230    HB3  LEU  33           HB1      LEU  33  -9.246   1.330   8.523
  231    HG   LEU  33           HG       LEU  33  -9.600   2.881  10.478
  232   HD11  LEU  33          HD11      LEU  33  -8.840   5.188  10.308
  233   HD12  LEU  33          HD12      LEU  33  -7.874   4.769   8.893
  234   HD13  LEU  33          HD13      LEU  33  -7.487   4.065  10.463
  235   HD21  LEU  33          HD21      LEU  33 -10.899   4.511   9.201
  236   HD22  LEU  33          HD22      LEU  33 -11.103   2.874   8.580
  237   HD23  LEU  33          HD23      LEU  33 -10.065   4.017   7.728
  238    H    ARG  34           HN       ARG  34  -8.378  -1.026   9.888
  239    HA   ARG  34           HA       ARG  34  -6.278  -2.446   8.495
  240    HB2  ARG  34           HB2      ARG  34  -8.030  -3.203  10.385
  241    HB3  ARG  34           HB1      ARG  34  -9.003  -3.611   8.992
  242    HG2  ARG  34           HG2      ARG  34  -6.250  -4.719   9.547
  243    HG3  ARG  34           HG1      ARG  34  -7.749  -5.511   9.992
  244    HD2  ARG  34           HD2      ARG  34  -8.339  -5.736   7.632
  245    HD3  ARG  34           HD1      ARG  34  -6.867  -4.865   7.174
  246    HE   ARG  34           HE       ARG  34  -6.093  -6.966   8.785
  247   HH11  ARG  34          HH11      ARG  34  -7.651  -6.823   5.491
  248   HH12  ARG  34          HH12      ARG  34  -6.912  -8.265   5.067
  249   HH21  ARG  34          HH21      ARG  34  -5.150  -8.831   8.049
  250   HH22  ARG  34          HH22      ARG  34  -5.488  -9.468   6.501
  251    H    PHE  35           HN       PHE  35  -6.389  -3.171   6.346
  252    HA   PHE  35           HA       PHE  35  -7.782  -1.811   4.401
  253    HB2  PHE  35           HB2      PHE  35  -6.809  -4.672   4.306
  254    HB3  PHE  35           HB1      PHE  35  -7.419  -3.808   2.901
  255    HD1  PHE  35           HD2      PHE  35  -6.204  -1.682   2.198
  256    HD2  PHE  35           HD1      PHE  35  -4.596  -4.481   4.966
  257    HE1  PHE  35           HE2      PHE  35  -3.961  -0.755   1.823
  258    HE2  PHE  35           HE1      PHE  35  -2.347  -3.555   4.600
  259    HZ   PHE  35           HZ       PHE  35  -2.023  -1.749   2.918
  260    H    GLU  36           HN       GLU  36  -8.841  -4.544   6.202
  261    HA   GLU  36           HA       GLU  36 -11.123  -5.416   5.042
  262    HB2  GLU  36           HB2      GLU  36  -9.977  -6.429   6.881
  263    HB3  GLU  36           HB1      GLU  36 -10.292  -5.041   7.899
  264    HG2  GLU  36           HG2      GLU  36 -12.604  -5.545   7.920
  265    HG3  GLU  36           HG1      GLU  36 -12.342  -6.887   6.791
  266    H    ASP  37           HN       ASP  37 -10.648  -2.600   7.195
  267    HA   ASP  37           HA       ASP  37 -13.484  -2.061   7.291
  268    HB2  ASP  37           HB2      ASP  37 -11.118  -0.694   8.563
  269    HB3  ASP  37           HB1      ASP  37 -12.758  -0.073   8.687
  270    H    ILE  38           HN       ILE  38 -10.805  -1.139   5.410
  271    HA   ILE  38           HA       ILE  38 -12.249   1.241   4.546
  272    HB   ILE  38           HB       ILE  38 -10.252   1.876   3.208
  273   HG12  ILE  38          HG12      ILE  38  -8.906  -0.474   4.585
  274   HG13  ILE  38          HG11      ILE  38  -9.272  -0.405   2.871
  275   HG21  ILE  38          HG21      ILE  38  -9.750   1.417   6.139
  276   HG22  ILE  38          HG22      ILE  38 -10.571   2.797   5.412
  277   HG23  ILE  38          HG23      ILE  38  -8.852   2.535   5.111
  278   HD11  ILE  38          HD11      ILE  38  -6.933   0.052   3.286
  279   HD12  ILE  38          HD12      ILE  38  -7.362   1.399   4.346
  280   HD13  ILE  38          HD13      ILE  38  -7.728   1.480   2.624
  281    H    GLY  39           HN       GLY  39 -12.770  -1.650   3.910
  282    HA2  GLY  39           HA2      GLY  39 -13.864  -2.688   2.181
  283    HA3  GLY  39           HA1      GLY  39 -13.901  -1.130   1.373
  284    H    TYR  40           HN       TYR  40 -10.863  -2.575   2.296
  285    HA   TYR  40           HA       TYR  40 -10.351  -3.003  -0.507
  286    HB2  TYR  40           HB2      TYR  40  -8.493  -2.545   1.842
  287    HB3  TYR  40           HB1      TYR  40  -7.947  -3.364   0.422
  288    HD1  TYR  40           HD2      TYR  40 -10.146  -0.412   0.928
  289    HD2  TYR  40           HD1      TYR  40  -6.651  -1.979  -0.893
  290    HE1  TYR  40           HE2      TYR  40  -9.753   1.746  -0.169
  291    HE2  TYR  40           HE1      TYR  40  -6.250   0.173  -1.998
  292    HH   TYR  40           HH       TYR  40  -8.080   3.017  -1.239
  293    H    ASP  41           HN       ASP  41 -10.651  -4.857  -1.261
  294    HA   ASP  41           HA       ASP  41 -11.054  -7.098   0.477
  295    HB2  ASP  41           HB2      ASP  41 -11.796  -8.217  -1.589
  296    HB3  ASP  41           HB1      ASP  41 -12.644  -6.690  -1.345
  297    H    SER  42           HN       SER  42  -9.051  -6.283  -2.292
  298    HA   SER  42           HA       SER  42  -6.647  -7.398  -1.357
  299    HB2  SER  42           HB2      SER  42  -6.596  -9.437  -2.825
  300    HB3  SER  42           HB1      SER  42  -7.674  -9.543  -1.426
  301    H    LEU  43           HN       LEU  43  -8.596  -7.143  -4.344
  302    HA   LEU  43           HA       LEU  43  -6.368  -6.944  -6.066
  303    HB2  LEU  43           HB2      LEU  43  -8.781  -7.553  -6.656
  304    HB3  LEU  43           HB1      LEU  43  -9.111  -5.840  -6.674
  305    HG   LEU  43           HG       LEU  43  -7.103  -7.172  -8.507
  306   HD11  LEU  43          HD11      LEU  43  -9.980  -6.466  -9.010
  307   HD12  LEU  43          HD12      LEU  43  -9.310  -8.088  -8.881
  308   HD13  LEU  43          HD13      LEU  43  -8.836  -7.040 -10.222
  309   HD21  LEU  43          HD21      LEU  43  -8.470  -4.471  -8.675
  310   HD22  LEU  43          HD22      LEU  43  -7.353  -5.143  -9.867
  311   HD23  LEU  43          HD23      LEU  43  -6.778  -4.739  -8.255
  312    H    ALA  44           HN       ALA  44  -8.498  -4.394  -4.825
  313    HA   ALA  44           HA       ALA  44  -7.126  -2.236  -5.901
  314    HB1  ALA  44           HB1      ALA  44  -8.152  -0.886  -4.133
  315    HB2  ALA  44           HB2      ALA  44  -8.558  -2.355  -3.241
  316    HB3  ALA  44           HB3      ALA  44  -9.307  -2.038  -4.804
  317    H    LEU  45           HN       LEU  45  -6.489  -4.050  -2.978
  318    HA   LEU  45           HA       LEU  45  -4.449  -2.383  -1.925
  319    HB2  LEU  45           HB2      LEU  45  -5.744  -4.205  -0.712
  320    HB3  LEU  45           HB1      LEU  45  -4.771  -5.376  -1.563
  321    HG   LEU  45           HG       LEU  45  -3.719  -3.367   0.457
  322   HD11  LEU  45          HD11      LEU  45  -3.430  -5.271   1.878
  323   HD12  LEU  45          HD12      LEU  45  -4.222  -6.310   0.684
  324   HD13  LEU  45          HD13      LEU  45  -5.134  -5.019   1.489
  325   HD21  LEU  45          HD21      LEU  45  -2.377  -5.728  -0.830
  326   HD22  LEU  45          HD22      LEU  45  -1.698  -4.714   0.459
  327   HD23  LEU  45          HD23      LEU  45  -2.009  -4.028  -1.146
  328    H    MET  46           HN       MET  46  -4.351  -5.358  -3.868
  329    HA   MET  46           HA       MET  46  -1.534  -5.421  -4.035
  330    HB2  MET  46           HB2      MET  46  -1.773  -7.260  -5.595
  331    HB3  MET  46           HB1      MET  46  -2.906  -7.452  -4.273
  332    HG2  MET  46           HG2      MET  46  -4.208  -8.043  -6.095
  333    HG3  MET  46           HG1      MET  46  -4.564  -6.318  -5.876
  334    HE1  MET  46           HE1      MET  46  -2.486  -8.925  -7.978
  335    HE2  MET  46           HE2      MET  46  -1.255  -7.787  -7.433
  336    HE3  MET  46           HE3      MET  46  -1.682  -7.872  -9.142
  337    H    GLU  47           HN       GLU  47  -3.948  -3.911  -6.079
  338    HA   GLU  47           HA       GLU  47  -2.223  -3.423  -8.260
  339    HB2  GLU  47           HB2      GLU  47  -4.710  -3.251  -8.360
  340    HB3  GLU  47           HB1      GLU  47  -4.615  -1.798  -7.374
  341    HG2  GLU  47           HG2      GLU  47  -3.202  -0.776  -9.135
  342    HG3  GLU  47           HG1      GLU  47  -3.520  -2.183 -10.144
  343    H    THR  48           HN       THR  48  -3.010  -1.649  -5.329
  344    HA   THR  48           HA       THR  48  -1.512   0.679  -5.762
  345    HB   THR  48           HB       THR  48  -2.159  -0.824  -3.219
  346    HG1  THR  48           HG1      THR  48  -3.764   0.333  -4.841
  347   HG21  THR  48          HG21      THR  48  -1.218   2.034  -3.578
  348   HG22  THR  48          HG22      THR  48  -0.286   0.716  -2.865
  349   HG23  THR  48          HG23      THR  48  -1.740   1.304  -2.056
  350    H    ALA  49           HN       ALA  49  -0.734  -2.355  -4.067
  351    HA   ALA  49           HA       ALA  49   1.914  -1.864  -3.438
  352    HB1  ALA  49           HB1      ALA  49   0.664  -4.499  -4.217
  353    HB2  ALA  49           HB2      ALA  49   0.699  -3.835  -2.581
  354    HB3  ALA  49           HB3      ALA  49   2.199  -4.297  -3.393
  355    H    ALA  50           HN       ALA  50   0.562  -3.419  -6.329
  356    HA   ALA  50           HA       ALA  50   2.948  -4.034  -7.617
  357    HB1  ALA  50           HB1      ALA  50   0.310  -3.376  -8.919
  358    HB2  ALA  50           HB2      ALA  50   0.772  -4.954  -8.277
  359    HB3  ALA  50           HB3      ALA  50   1.646  -4.269  -9.648
  360    H    ARG  51           HN       ARG  51   1.072  -1.056  -7.663
  361    HA   ARG  51           HA       ARG  51   2.474   0.210  -9.757
  362    HB2  ARG  51           HB2      ARG  51   0.321   1.059  -8.772
  363    HB3  ARG  51           HB1      ARG  51   1.229   1.571  -7.355
  364    HG2  ARG  51           HG2      ARG  51   2.621   3.008  -8.827
  365    HG3  ARG  51           HG1      ARG  51   1.574   2.571 -10.173
  366    HD2  ARG  51           HD2      ARG  51  -0.346   3.482  -8.842
  367    HD3  ARG  51           HD1      ARG  51   0.838   4.083  -7.679
  368    HE   ARG  51           HE       ARG  51   0.872   4.843 -10.509
  369   HH11  ARG  51          HH11      ARG  51   1.149   5.803  -7.075
  370   HH12  ARG  51          HH12      ARG  51   1.256   7.443  -7.426
  371   HH21  ARG  51          HH21      ARG  51   1.074   7.164 -10.951
  372   HH22  ARG  51          HH22      ARG  51   1.252   8.240  -9.659
  373    H    LEU  52           HN       LEU  52   2.823   0.406  -6.248
  374    HA   LEU  52           HA       LEU  52   5.082   2.095  -6.333
  375    HB2  LEU  52           HB2      LEU  52   4.044   0.346  -4.119
  376    HB3  LEU  52           HB1      LEU  52   5.326   1.529  -3.926
  377    HG   LEU  52           HG       LEU  52   2.483   2.163  -4.730
  378   HD11  LEU  52          HD11      LEU  52   2.651   1.469  -2.400
  379   HD12  LEU  52          HD12      LEU  52   2.324   3.201  -2.528
  380   HD13  LEU  52          HD13      LEU  52   3.950   2.636  -2.146
  381   HD21  LEU  52          HD21      LEU  52   3.166   4.495  -4.428
  382   HD22  LEU  52          HD22      LEU  52   4.090   3.704  -5.704
  383   HD23  LEU  52          HD23      LEU  52   4.822   3.966  -4.121
  384    H    GLU  53           HN       GLU  53   4.742  -1.390  -6.134
  385    HA   GLU  53           HA       GLU  53   7.396  -2.109  -5.710
  386    HB2  GLU  53           HB2      GLU  53   5.325  -3.478  -7.431
  387    HB3  GLU  53           HB1      GLU  53   6.863  -4.189  -6.979
  388    HG2  GLU  53           HG2      GLU  53   6.137  -4.038  -4.587
  389    HG3  GLU  53           HG1      GLU  53   4.596  -3.445  -5.178
  390    H    SER  54           HN       SER  54   5.663  -1.828  -8.764
  391    HA   SER  54           HA       SER  54   7.905  -2.176 -10.451
  392    HB2  SER  54           HB2      SER  54   5.326  -0.748 -11.110
  393    HB3  SER  54           HB1      SER  54   6.431  -1.534 -12.241
  394    HG   SER  54           HG       SER  54   4.605  -2.625 -10.449
  395    H    ARG  55           HN       ARG  55   6.555   0.637  -8.932
  396    HA   ARG  55           HA       ARG  55   7.628   2.696 -10.513
  397    HB2  ARG  55           HB2      ARG  55   5.832   2.690  -8.608
  398    HB3  ARG  55           HB1      ARG  55   7.196   2.902  -7.539
  399    HG2  ARG  55           HG2      ARG  55   6.407   4.801  -9.749
  400    HG3  ARG  55           HG1      ARG  55   5.971   4.981  -8.058
  401    HD2  ARG  55           HD2      ARG  55   8.408   5.119  -7.526
  402    HD3  ARG  55           HD1      ARG  55   8.735   5.096  -9.259
  403    HE   ARG  55           HE       ARG  55   6.838   7.080  -8.612
  404   HH11  ARG  55          HH11      ARG  55  10.368   6.526  -8.521
  405   HH12  ARG  55          HH12      ARG  55  10.733   8.182  -8.480
  406   HH21  ARG  55          HH21      ARG  55   7.374   9.296  -8.583
  407   HH22  ARG  55          HH22      ARG  55   9.004   9.812  -8.545
  408    H    TYR  56           HN       TYR  56   8.869   1.047  -7.615
  409    HA   TYR  56           HA       TYR  56  11.360   2.560  -7.920
  410    HB2  TYR  56           HB2      TYR  56  10.320   0.999  -5.553
  411    HB3  TYR  56           HB1      TYR  56  11.878   1.832  -5.598
  412    HD1  TYR  56           HD2      TYR  56  11.947   4.297  -5.804
  413    HD2  TYR  56           HD1      TYR  56   8.290   2.218  -5.211
  414    HE1  TYR  56           HE2      TYR  56  10.857   6.405  -5.194
  415    HE2  TYR  56           HE1      TYR  56   7.184   4.318  -4.603
  416    HH   TYR  56           HH       TYR  56   7.766   6.540  -3.797
  417    H    GLY  57           HN       GLY  57  10.091  -0.567  -8.360
  418    HA2  GLY  57           HA2      GLY  57  11.204  -2.227  -9.576
  419    HA3  GLY  57           HA1      GLY  57  12.740  -1.474  -9.163
  420    H    VAL  58           HN       VAL  58  10.140  -2.289  -6.959
  421    HA   VAL  58           HA       VAL  58  11.950  -4.186  -5.657
  422    HB   VAL  58           HB       VAL  58  10.865  -3.658  -3.483
  423   HG11  VAL  58          HG11      VAL  58  12.049  -1.264  -4.876
  424   HG12  VAL  58          HG12      VAL  58  12.942  -2.549  -4.062
  425   HG13  VAL  58          HG13      VAL  58  11.906  -1.470  -3.129
  426   HG21  VAL  58          HG21      VAL  58   8.707  -2.850  -4.307
  427   HG22  VAL  58          HG22      VAL  58   9.498  -1.436  -5.009
  428   HG23  VAL  58          HG23      VAL  58   9.466  -1.650  -3.259
  429    H    SER  59           HN       SER  59  10.472  -5.640  -4.038
  430    HA   SER  59           HA       SER  59   8.125  -6.503  -5.579
  431    HB2  SER  59           HB2      SER  59  10.254  -8.386  -4.545
  432    HB3  SER  59           HB1      SER  59   8.863  -8.786  -5.551
  433    HG   SER  59           HG       SER  59   9.853  -7.316  -7.146
  434    H    ILE  60           HN       ILE  60   6.468  -6.816  -4.250
  435    HA   ILE  60           HA       ILE  60   6.945  -7.219  -1.374
  436    HB   ILE  60           HB       ILE  60   4.422  -6.423  -2.865
  437   HG12  ILE  60          HG12      ILE  60   6.148  -4.847  -0.961
  438   HG13  ILE  60          HG11      ILE  60   6.142  -4.662  -2.717
  439   HG21  ILE  60          HG21      ILE  60   4.833  -6.730   0.115
  440   HG22  ILE  60          HG22      ILE  60   3.835  -7.764  -0.906
  441   HG23  ILE  60          HG23      ILE  60   3.391  -6.077  -0.661
  442   HD11  ILE  60          HD11      ILE  60   3.834  -4.145  -0.864
  443   HD12  ILE  60          HD12      ILE  60   3.815  -3.960  -2.622
  444   HD13  ILE  60          HD13      ILE  60   4.857  -2.932  -1.633
  445    HA   PRO  61           HA       PRO  61   5.820 -11.516  -2.027
  446    HB2  PRO  61           HB2      PRO  61   5.344 -11.427   0.904
  447    HB3  PRO  61           HB1      PRO  61   6.405 -12.501  -0.022
  448    HG2  PRO  61           HG2      PRO  61   7.414 -10.559   1.494
  449    HG3  PRO  61           HG1      PRO  61   8.128 -10.943  -0.086
  450    HD2  PRO  61           HD2      PRO  61   6.291  -8.704   0.672
  451    HD3  PRO  61           HD1      PRO  61   7.729  -8.675  -0.375
  452    H    ASP  62           HN       ASP  62   3.880 -12.089  -2.674
  453    HA   ASP  62           HA       ASP  62   1.510 -10.647  -2.197
  454    HB2  ASP  62           HB2      ASP  62   0.282 -12.567  -3.246
  455    HB3  ASP  62           HB1      ASP  62   1.611 -11.949  -4.211
  456    H    ASP  63           HN       ASP  63   2.876 -13.310  -0.515
  457    HA   ASP  63           HA       ASP  63   0.537 -13.971   0.978
  458    HB2  ASP  63           HB2      ASP  63   2.521 -15.494   0.658
  459    HB3  ASP  63           HB1      ASP  63   3.418 -14.458   1.761
  460    H    VAL  64           HN       VAL  64   3.198 -11.738   1.358
  461    HA   VAL  64           HA       VAL  64   2.491 -11.078   4.054
  462    HB   VAL  64           HB       VAL  64   4.484  -9.709   2.199
  463   HG11  VAL  64          HG11      VAL  64   4.105  -9.373   5.176
  464   HG12  VAL  64          HG12      VAL  64   3.708  -8.178   3.944
  465   HG13  VAL  64          HG13      VAL  64   5.389  -8.643   4.209
  466   HG21  VAL  64          HG21      VAL  64   6.185 -10.850   3.537
  467   HG22  VAL  64          HG22      VAL  64   5.116 -11.997   2.729
  468   HG23  VAL  64          HG23      VAL  64   4.915 -11.665   4.450
  469    H    ALA  65           HN       ALA  65   1.759  -9.883   0.866
  470    HA   ALA  65           HA       ALA  65   0.672  -7.407   1.655
  471    HB1  ALA  65           HB1      ALA  65  -0.188  -9.096  -0.717
  472    HB2  ALA  65           HB2      ALA  65   1.146  -7.936  -0.712
  473    HB3  ALA  65           HB3      ALA  65  -0.499  -7.374  -0.498
  474    H    GLY  66           HN       GLY  66  -0.532 -10.620   2.016
  475    HA2  GLY  66           HA2      GLY  66  -3.147  -9.592   2.883
  476    HA3  GLY  66           HA1      GLY  66  -2.759 -11.286   2.597
  477    H    ARG  67           HN       ARG  67  -0.228  -9.983   4.131
  478    HA   ARG  67           HA       ARG  67  -1.090 -10.998   6.731
  479    HB2  ARG  67           HB2      ARG  67   0.896 -11.972   5.570
  480    HB3  ARG  67           HB1      ARG  67   1.728 -10.448   5.675
  481    HG2  ARG  67           HG2      ARG  67   0.789 -11.557   8.246
  482    HG3  ARG  67           HG1      ARG  67   1.976 -12.537   7.393
  483    HD2  ARG  67           HD2      ARG  67   3.233 -11.161   8.823
  484    HD3  ARG  67           HD1      ARG  67   3.378 -10.412   7.241
  485    HE   ARG  67           HE       ARG  67   1.223  -9.324   8.712
  486   HH11  ARG  67          HH11      ARG  67   4.782  -9.128   8.372
  487   HH12  ARG  67          HH12      ARG  67   4.889  -7.608   9.131
  488   HH21  ARG  67          HH21      ARG  67   1.416  -7.267   9.794
  489   HH22  ARG  67          HH22      ARG  67   2.942  -6.533   9.965
  490    H    VAL  68           HN       VAL  68  -0.199  -8.195   4.988
  491    HA   VAL  68           HA       VAL  68   0.196  -6.560   7.316
  492    HB   VAL  68           HB       VAL  68   0.281  -4.645   5.726
  493   HG11  VAL  68          HG11      VAL  68   1.937  -6.978   4.815
  494   HG12  VAL  68          HG12      VAL  68   2.314  -5.882   6.143
  495   HG13  VAL  68          HG13      VAL  68   2.278  -5.279   4.487
  496   HG21  VAL  68          HG21      VAL  68  -0.275  -6.689   3.573
  497   HG22  VAL  68          HG22      VAL  68   0.182  -5.006   3.304
  498   HG23  VAL  68          HG23      VAL  68  -1.358  -5.389   4.076
  499    H    ASP  69           HN       ASP  69  -1.361  -5.644   8.470
  500    HA   ASP  69           HA       ASP  69  -4.088  -6.054   7.560
  501    HB2  ASP  69           HB2      ASP  69  -2.932  -5.361  10.256
  502    HB3  ASP  69           HB1      ASP  69  -4.656  -5.283   9.924
  503    H    THR  70           HN       THR  70  -1.994  -3.465   8.710
  504    HA   THR  70           HA       THR  70  -4.028  -1.587   7.803
  505    HB   THR  70           HB       THR  70  -2.693   0.075   9.113
  506    HG1  THR  70           HG1      THR  70  -1.311  -1.141  10.739
  507   HG21  THR  70          HG21      THR  70  -3.649  -2.355  10.635
  508   HG22  THR  70          HG22      THR  70  -4.661  -1.019  10.083
  509   HG23  THR  70          HG23      THR  70  -3.425  -0.742  11.310
  510    HA   PRO  71           HA       PRO  71  -1.552  -0.273   4.335
  511    HB2  PRO  71           HB2      PRO  71  -2.347   2.474   5.201
  512    HB3  PRO  71           HB1      PRO  71  -2.499   1.710   3.608
  513    HG2  PRO  71           HG2      PRO  71  -4.658   1.973   5.103
  514    HG3  PRO  71           HG1      PRO  71  -4.349   0.442   4.259
  515    HD2  PRO  71           HD2      PRO  71  -3.866   1.136   7.129
  516    HD3  PRO  71           HD1      PRO  71  -4.630  -0.311   6.430
  517    H    ARG  72           HN       ARG  72  -1.282   1.291   7.481
  518    HA   ARG  72           HA       ARG  72   1.177   2.565   7.274
  519    HB2  ARG  72           HB2      ARG  72  -0.219   2.685   9.293
  520    HB3  ARG  72           HB1      ARG  72   0.104   0.988   9.633
  521    HG2  ARG  72           HG2      ARG  72   2.482   1.499   9.901
  522    HG3  ARG  72           HG1      ARG  72   2.150   3.195   9.579
  523    HD2  ARG  72           HD2      ARG  72   1.078   1.578  11.888
  524    HD3  ARG  72           HD1      ARG  72   2.381   2.760  11.967
  525    HE   ARG  72           HE       ARG  72  -0.450   3.262  11.950
  526   HH11  ARG  72          HH11      ARG  72   2.579   4.776  10.867
  527   HH12  ARG  72          HH12      ARG  72   2.087   6.339  11.277
  528   HH21  ARG  72          HH21      ARG  72  -1.088   5.413  12.535
  529   HH22  ARG  72          HH22      ARG  72  -0.037   6.726  12.240
  530    H    GLU  73           HN       GLU  73   0.454  -0.802   7.985
  531    HA   GLU  73           HA       GLU  73   3.096  -1.700   8.378
  532    HB2  GLU  73           HB2      GLU  73   1.009  -2.845   9.103
  533    HB3  GLU  73           HB1      GLU  73   0.686  -3.239   7.422
  534    HG2  GLU  73           HG2      GLU  73   1.620  -5.136   8.497
  535    HG3  GLU  73           HG1      GLU  73   2.807  -4.485   7.363
  536    H    LEU  74           HN       LEU  74   0.938  -1.646   5.607
  537    HA   LEU  74           HA       LEU  74   2.645  -3.004   3.806
  538    HB2  LEU  74           HB2      LEU  74   0.144  -2.710   3.597
  539    HB3  LEU  74           HB1      LEU  74   0.409  -1.037   3.198
  540    HG   LEU  74           HG       LEU  74  -0.192  -2.594   1.299
  541   HD11  LEU  74          HD11      LEU  74   2.408  -1.085   1.022
  542   HD12  LEU  74          HD12      LEU  74   0.787  -0.412   0.844
  543   HD13  LEU  74          HD13      LEU  74   1.375  -1.610  -0.309
  544   HD21  LEU  74          HD21      LEU  74   1.155  -4.508   1.928
  545   HD22  LEU  74          HD22      LEU  74   2.632  -3.569   1.710
  546   HD23  LEU  74          HD23      LEU  74   1.614  -3.945   0.320
  547    H    LEU  75           HN       LEU  75   2.144   0.405   4.542
  548    HA   LEU  75           HA       LEU  75   3.871   1.610   2.723
  549    HB2  LEU  75           HB2      LEU  75   2.326   2.849   4.172
  550    HB3  LEU  75           HB1      LEU  75   3.244   2.366   5.579
  551    HG   LEU  75           HG       LEU  75   5.164   3.700   4.750
  552   HD11  LEU  75          HD11      LEU  75   3.226   4.586   2.626
  553   HD12  LEU  75          HD12      LEU  75   4.683   3.624   2.377
  554   HD13  LEU  75          HD13      LEU  75   4.814   5.291   2.935
  555   HD21  LEU  75          HD21      LEU  75   3.586   4.655   6.343
  556   HD22  LEU  75          HD22      LEU  75   2.572   5.220   5.015
  557   HD23  LEU  75          HD23      LEU  75   4.189   5.886   5.235
  558    H    ASP  76           HN       ASP  76   4.509   0.543   6.052
  559    HA   ASP  76           HA       ASP  76   7.261   1.142   6.040
  560    HB2  ASP  76           HB2      ASP  76   5.952   0.848   8.110
  561    HB3  ASP  76           HB1      ASP  76   5.806  -0.870   7.763
  562    H    LEU  77           HN       LEU  77   5.492  -1.694   5.071
  563    HA   LEU  77           HA       LEU  77   7.646  -3.484   4.826
  564    HB2  LEU  77           HB2      LEU  77   5.156  -4.021   4.677
  565    HB3  LEU  77           HB1      LEU  77   5.173  -3.355   3.065
  566    HG   LEU  77           HG       LEU  77   5.140  -5.836   3.127
  567   HD11  LEU  77          HD11      LEU  77   7.637  -4.729   1.881
  568   HD12  LEU  77          HD12      LEU  77   6.035  -4.792   1.148
  569   HD13  LEU  77          HD13      LEU  77   6.896  -6.287   1.507
  570   HD21  LEU  77          HD21      LEU  77   6.429  -6.205   5.135
  571   HD22  LEU  77          HD22      LEU  77   7.878  -5.570   4.354
  572   HD23  LEU  77          HD23      LEU  77   7.150  -7.071   3.779
  573    H    ILE  78           HN       ILE  78   6.228  -1.158   2.545
  574    HA   ILE  78           HA       ILE  78   8.152  -1.751   0.533
  575    HB   ILE  78           HB       ILE  78   6.373   0.714   0.731
  576   HG12  ILE  78          HG12      ILE  78   6.016  -1.929  -0.688
  577   HG13  ILE  78          HG11      ILE  78   5.059  -1.310   0.649
  578   HG21  ILE  78          HG21      ILE  78   7.899  -0.415  -1.639
  579   HG22  ILE  78          HG22      ILE  78   8.303   1.062  -0.764
  580   HG23  ILE  78          HG23      ILE  78   6.803   0.967  -1.685
  581   HD11  ILE  78          HD11      ILE  78   4.215   0.480  -0.819
  582   HD12  ILE  78          HD12      ILE  78   3.859  -1.142  -1.431
  583   HD13  ILE  78          HD13      ILE  78   5.165  -0.212  -2.144
  584    H    ASN  79           HN       ASN  79   7.961   0.446   3.186
  585    HA   ASN  79           HA       ASN  79  10.186   2.053   2.467
  586    HB2  ASN  79           HB2      ASN  79   8.914   1.484   5.145
  587    HB3  ASN  79           HB1      ASN  79  10.392   2.419   5.045
  588   HD21  ASN  79          HD21      ASN  79   7.765   2.594   2.681
  589   HD22  ASN  79          HD22      ASN  79   7.265   4.197   3.109
  590    H    GLY  80           HN       GLY  80   9.934  -1.044   4.038
  591    HA2  GLY  80           HA2      GLY  80  12.677  -1.330   4.711
  592    HA3  GLY  80           HA1      GLY  80  11.519  -2.645   4.506
  593    H    ALA  81           HN       ALA  81  10.765  -2.064   1.872
  594    HA   ALA  81           HA       ALA  81  12.871  -3.301   0.405
  595    HB1  ALA  81           HB1      ALA  81  10.296  -2.046  -0.579
  596    HB2  ALA  81           HB2      ALA  81  10.499  -3.729  -0.101
  597    HB3  ALA  81           HB3      ALA  81  11.347  -3.104  -1.516
  598    H    LEU  82           HN       LEU  82  11.871  -0.049   0.970
  599    HA   LEU  82           HA       LEU  82  13.367   1.109  -1.162
  600    HB2  LEU  82           HB2      LEU  82  12.093   2.301   1.286
  601    HB3  LEU  82           HB1      LEU  82  12.894   3.248   0.049
  602    HG   LEU  82           HG       LEU  82  10.503   1.483  -0.448
  603   HD11  LEU  82          HD11      LEU  82   9.254   3.562  -0.635
  604   HD12  LEU  82          HD12      LEU  82  10.677   4.465  -0.113
  605   HD13  LEU  82          HD13      LEU  82   9.899   3.326   0.988
  606   HD21  LEU  82          HD21      LEU  82  10.392   2.668  -2.583
  607   HD22  LEU  82          HD22      LEU  82  11.913   1.793  -2.407
  608   HD23  LEU  82          HD23      LEU  82  11.869   3.540  -2.178
  609    H    ALA  83           HN       ALA  83  14.137  -0.080   1.923
  610    HA   ALA  83           HA       ALA  83  16.554   1.387   2.258
  611    HB1  ALA  83           HB1      ALA  83  15.580   0.109   4.126
  612    HB2  ALA  83           HB2      ALA  83  17.228  -0.423   3.788
  613    HB3  ALA  83           HB3      ALA  83  15.860  -1.391   3.243
  614    H    GLU  84           HN       GLU  84  15.588  -1.523   0.640
  615    HA   GLU  84           HA       GLU  84  18.113  -2.505  -0.190
  616    HB2  GLU  84           HB2      GLU  84  15.437  -2.877  -1.550
  617    HB3  GLU  84           HB1      GLU  84  16.837  -3.920  -1.693
  618    HG2  GLU  84           HG2      GLU  84  15.218  -3.503   0.813
  619    HG3  GLU  84           HG1      GLU  84  15.064  -4.869  -0.286
  620    H    ALA  85           HN       ALA  85  15.522  -0.892  -1.973
  621    HA   ALA  85           HA       ALA  85  17.358  -0.111  -4.105
  622    HB1  ALA  85           HB1      ALA  85  15.295   0.487  -5.315
  623    HB2  ALA  85           HB2      ALA  85  14.347   0.121  -3.876
  624    HB3  ALA  85           HB3      ALA  85  15.216  -1.167  -4.707
  625    H    ALA  86           HN       ALA  86  16.002   2.233  -4.919
  626    HA   ALA  86           HA       ALA  86  15.466   4.062  -2.882
  627    HB1  ALA  86           HB1      ALA  86  17.424   5.557  -3.170
  628    HB2  ALA  86           HB2      ALA  86  18.190   4.354  -4.208
  629    HB3  ALA  86           HB3      ALA  86  17.918   4.000  -2.501
  630   H281  PSR  87          H28A      PSR  87  -7.845 -10.568  -6.049
  631   H282  PSR  87          H28B      PSR  87  -6.719  -9.745  -4.973
  632   H301  PSR  87          H30A      PSR  87  -4.396 -11.101  -7.322
  633   H302  PSR  87          H30B      PSR  87  -4.848  -9.733  -6.308
  634   H303  PSR  87          H30C      PSR  87  -5.918 -10.249  -7.617
  635   H311  PSR  87          H31A      PSR  87  -5.416 -12.536  -4.071
  636   H312  PSR  87          H31B      PSR  87  -4.509 -11.046  -4.341
  637   H313  PSR  87          H31C      PSR  87  -4.118 -12.496  -5.266
  638   H321  PSR  87          H32A      PSR  87  -5.648 -13.371  -7.050
  639   H331  PSR  87          H33A      PSR  87  -7.643 -13.172  -8.191
  640   H361  PSR  87          H36A      PSR  87  -5.937 -14.006  -4.541
  641   H371  PSR  87          H37A      PSR  87  -7.974 -14.539  -2.998
  642   H372  PSR  87          H37B      PSR  87  -8.377 -15.628  -4.327
  643   H381  PSR  87          H38A      PSR  87  -7.189 -16.783  -2.481
  644   H382  PSR  87          H38B      PSR  87  -6.321 -16.851  -4.003
  645   H411  PSR  87          H41A      PSR  87  -6.434 -14.053  -1.825
  646   H421  PSR  87          H42A      PSR  87  -3.575 -14.379  -1.168
  647   H422  PSR  87          H42B      PSR  87  -4.270 -12.891  -1.763
  648   H431  PSR  87          H43A      PSR  87  -4.855 -14.130   0.903
  649   H432  PSR  87          H43B      PSR  87  -5.864 -12.923   0.113
  650   HC21  PSR  87          H2A       PSR  87  -2.667  -9.682   0.138
  651   HC22  PSR  87          H2B       PSR  87  -4.134  -8.724  -0.017
  652   HC31  PSR  87          H3A       PSR  87  -2.602  -8.218  -1.847
  653   HC32  PSR  87          H3B       PSR  87  -4.056  -9.017  -2.469
  654   HC41  PSR  87          H4C       PSR  87  -2.845 -11.144  -2.524
  655   HC42  PSR  87          H4A       PSR  87  -1.405 -10.338  -1.900
  656   HC43  PSR  87          H4B       PSR  87  -2.023  -9.917  -3.495
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  19.211   9.861   4.634
    2    H2   MET   1           HT2      MET   1  17.954   8.750   4.489
    3    H3   MET   1           HT3      MET   1  18.272   9.820   3.226
    4    HA   MET   1           HA       MET   1  20.416   8.790   2.879
    5    HB2  MET   1           HB2      MET   1  20.813   8.013   5.160
    6    HB3  MET   1           HB1      MET   1  19.462   6.895   5.037
    7    HG2  MET   1           HG2      MET   1  20.651   5.681   3.270
    8    HG3  MET   1           HG1      MET   1  22.016   6.784   3.449
    9    HE1  MET   1           HE1      MET   1  23.317   3.430   5.003
   10    HE2  MET   1           HE2      MET   1  23.596   4.673   3.783
   11    HE3  MET   1           HE3      MET   1  22.211   3.593   3.642
   12    H    ALA   2           HN       ALA   2  17.565   6.815   3.752
   13    HA   ALA   2           HA       ALA   2  17.734   5.528   1.150
   14    HB1  ALA   2           HB1      ALA   2  15.904   5.021   3.504
   15    HB2  ALA   2           HB2      ALA   2  17.379   4.126   3.133
   16    HB3  ALA   2           HB3      ALA   2  15.997   4.041   2.041
   17    H    THR   3           HN       THR   3  15.850   5.453  -0.226
   18    HA   THR   3           HA       THR   3  14.295   7.905  -0.122
   19    HB   THR   3           HB       THR   3  14.521   5.791  -2.195
   20    HG1  THR   3           HG1      THR   3  16.012   8.114  -1.606
   21   HG21  THR   3          HG21      THR   3  13.732   7.575  -3.742
   22   HG22  THR   3          HG22      THR   3  13.591   8.671  -2.368
   23   HG23  THR   3          HG23      THR   3  12.560   7.244  -2.464
   24    H    LEU   4           HN       LEU   4  12.495   7.660   1.038
   25    HA   LEU   4           HA       LEU   4  11.147   5.036   1.030
   26    HB2  LEU   4           HB2      LEU   4  11.060   7.159   3.160
   27    HB3  LEU   4           HB1      LEU   4  10.269   5.602   3.212
   28    HG   LEU   4           HG       LEU   4  13.220   6.160   3.360
   29   HD11  LEU   4          HD11      LEU   4  11.263   4.983   5.315
   30   HD12  LEU   4          HD12      LEU   4  11.985   6.591   5.390
   31   HD13  LEU   4          HD13      LEU   4  12.998   5.160   5.574
   32   HD21  LEU   4          HD21      LEU   4  12.839   4.135   2.035
   33   HD22  LEU   4          HD22      LEU   4  11.794   3.496   3.305
   34   HD23  LEU   4          HD23      LEU   4  13.512   3.740   3.617
   35    H    LEU   5           HN       LEU   5   8.817   5.296   1.691
   36    HA   LEU   5           HA       LEU   5   7.533   7.339   0.049
   37    HB2  LEU   5           HB2      LEU   5   6.461   4.855   1.371
   38    HB3  LEU   5           HB1      LEU   5   5.528   5.966   0.395
   39    HG   LEU   5           HG       LEU   5   7.814   4.279  -0.604
   40   HD11  LEU   5          HD11      LEU   5   5.858   2.952   0.023
   41   HD12  LEU   5          HD12      LEU   5   6.044   3.016  -1.733
   42   HD13  LEU   5          HD13      LEU   5   4.830   4.020  -0.933
   43   HD21  LEU   5          HD21      LEU   5   7.531   6.378  -1.803
   44   HD22  LEU   5          HD22      LEU   5   5.819   6.013  -2.036
   45   HD23  LEU   5          HD23      LEU   5   7.055   4.997  -2.785
   46    H    THR   6           HN       THR   6   6.118   8.755   0.940
   47    HA   THR   6           HA       THR   6   6.072   8.914   3.838
   48    HB   THR   6           HB       THR   6   5.096  11.183   3.370
   49    HG1  THR   6           HG1      THR   6   5.996  11.047   0.721
   50   HG21  THR   6          HG21      THR   6   7.784  10.619   2.086
   51   HG22  THR   6          HG22      THR   6   7.510  10.922   3.803
   52   HG23  THR   6          HG23      THR   6   7.215  12.199   2.624
   53    H    THR   7           HN       THR   7   3.945   9.486   4.789
   54    HA   THR   7           HA       THR   7   1.831   7.858   4.047
   55    HB   THR   7           HB       THR   7   1.560  10.497   5.501
   56    HG1  THR   7           HG1      THR   7   2.336   9.478   7.280
   57   HG21  THR   7          HG21      THR   7  -0.158   9.272   6.754
   58   HG22  THR   7          HG22      THR   7   0.178   7.819   5.814
   59   HG23  THR   7          HG23      THR   7  -0.519   9.236   5.028
   60    H    ASP   8           HN       ASP   8   2.678  11.114   3.085
   61    HA   ASP   8           HA       ASP   8   0.393  11.938   1.697
   62    HB2  ASP   8           HB2      ASP   8   2.348  13.366   2.275
   63    HB3  ASP   8           HB1      ASP   8   3.280  12.542   1.034
   64    H    ASP   9           HN       ASP   9   3.295  10.226   0.522
   65    HA   ASP   9           HA       ASP   9   2.347   9.988  -2.161
   66    HB2  ASP   9           HB2      ASP   9   4.768   9.830  -1.496
   67    HB3  ASP   9           HB1      ASP   9   4.425   8.229  -0.846
   68    H    LEU  10           HN       LEU  10   2.348   7.870   0.621
   69    HA   LEU  10           HA       LEU  10   1.345   5.561  -0.607
   70    HB2  LEU  10           HB2      LEU  10   2.337   5.664   1.658
   71    HB3  LEU  10           HB1      LEU  10   0.914   6.515   2.224
   72    HG   LEU  10           HG       LEU  10  -0.420   4.487   1.531
   73   HD11  LEU  10          HD11      LEU  10   0.773   2.367   1.352
   74   HD12  LEU  10          HD12      LEU  10   2.308   3.235   1.366
   75   HD13  LEU  10          HD13      LEU  10   1.175   3.472   0.037
   76   HD21  LEU  10          HD21      LEU  10   0.166   3.233   3.562
   77   HD22  LEU  10          HD22      LEU  10   0.054   4.969   3.849
   78   HD23  LEU  10          HD23      LEU  10   1.636   4.201   3.711
   79    H    ARG  11           HN       ARG  11  -0.192   8.419   0.686
   80    HA   ARG  11           HA       ARG  11  -2.835   7.629   0.817
   81    HB2  ARG  11           HB2      ARG  11  -1.759   9.889   1.473
   82    HB3  ARG  11           HB1      ARG  11  -2.044  10.354  -0.197
   83    HG2  ARG  11           HG2      ARG  11  -4.462   9.874   0.135
   84    HG3  ARG  11           HG1      ARG  11  -4.099   9.541   1.834
   85    HD2  ARG  11           HD2      ARG  11  -4.905  11.782   1.703
   86    HD3  ARG  11           HD1      ARG  11  -3.170  11.854   2.015
   87    HE   ARG  11           HE       ARG  11  -3.701  11.946  -0.758
   88   HH11  ARG  11          HH11      ARG  11  -3.627  14.000   2.133
   89   HH12  ARG  11          HH12      ARG  11  -3.678  15.467   1.272
   90   HH21  ARG  11          HH21      ARG  11  -3.695  13.980  -1.950
   91   HH22  ARG  11          HH22      ARG  11  -3.719  15.449  -1.090
   92    H    ARG  12           HN       ARG  12  -1.203   9.204  -1.927
   93    HA   ARG  12           HA       ARG  12  -3.388   8.906  -3.668
   94    HB2  ARG  12           HB2      ARG  12  -1.959   9.651  -5.488
   95    HB3  ARG  12           HB1      ARG  12  -1.609  10.595  -4.060
   96    HG2  ARG  12           HG2      ARG  12   0.493  10.227  -4.921
   97    HG3  ARG  12           HG1      ARG  12   0.359   8.909  -3.761
   98    HD2  ARG  12           HD2      ARG  12   1.270   8.009  -5.792
   99    HD3  ARG  12           HD1      ARG  12  -0.390   7.434  -5.648
  100    HE   ARG  12           HE       ARG  12   0.456   9.663  -7.375
  101   HH11  ARG  12          HH11      ARG  12  -1.719   6.884  -6.812
  102   HH12  ARG  12          HH12      ARG  12  -2.378   6.945  -8.389
  103   HH21  ARG  12          HH21      ARG  12  -0.570   9.740  -9.518
  104   HH22  ARG  12          HH22      ARG  12  -1.826   8.653  -9.858
  105    H    ALA  13           HN       ALA  13  -0.925   6.668  -2.801
  106    HA   ALA  13           HA       ALA  13  -1.292   4.867  -4.975
  107    HB1  ALA  13           HB1      ALA  13  -0.269   4.296  -2.185
  108    HB2  ALA  13           HB2      ALA  13   0.717   4.801  -3.556
  109    HB3  ALA  13           HB3      ALA  13  -0.098   3.240  -3.588
  110    H    LEU  14           HN       LEU  14  -2.598   5.004  -1.694
  111    HA   LEU  14           HA       LEU  14  -4.333   2.782  -1.972
  112    HB2  LEU  14           HB2      LEU  14  -4.166   5.085  -0.061
  113    HB3  LEU  14           HB1      LEU  14  -5.568   4.044  -0.031
  114    HG   LEU  14           HG       LEU  14  -3.818   3.534   1.695
  115   HD11  LEU  14          HD11      LEU  14  -5.445   1.880   1.106
  116   HD12  LEU  14          HD12      LEU  14  -3.882   1.127   1.434
  117   HD13  LEU  14          HD13      LEU  14  -4.435   1.329  -0.229
  118   HD21  LEU  14          HD21      LEU  14  -1.811   3.900   0.376
  119   HD22  LEU  14          HD22      LEU  14  -2.230   2.537  -0.662
  120   HD23  LEU  14          HD23      LEU  14  -1.841   2.267   1.039
  121    H    VAL  15           HN       VAL  15  -4.821   6.246  -2.393
  122    HA   VAL  15           HA       VAL  15  -7.537   6.168  -3.084
  123    HB   VAL  15           HB       VAL  15  -5.412   8.204  -3.882
  124   HG11  VAL  15          HG11      VAL  15  -8.410   8.508  -3.997
  125   HG12  VAL  15          HG12      VAL  15  -7.330   8.401  -5.388
  126   HG13  VAL  15          HG13      VAL  15  -7.227   9.782  -4.295
  127   HG21  VAL  15          HG21      VAL  15  -7.443   8.231  -1.671
  128   HG22  VAL  15          HG22      VAL  15  -6.337   9.547  -2.075
  129   HG23  VAL  15          HG23      VAL  15  -5.701   8.006  -1.503
  130    H    GLU  16           HN       GLU  16  -4.886   5.022  -4.821
  131    HA   GLU  16           HA       GLU  16  -5.851   5.436  -7.494
  132    HB2  GLU  16           HB2      GLU  16  -3.448   5.197  -6.843
  133    HB3  GLU  16           HB1      GLU  16  -3.765   3.517  -6.452
  134    HG2  GLU  16           HG2      GLU  16  -2.742   3.609  -8.580
  135    HG3  GLU  16           HG1      GLU  16  -4.437   3.177  -8.816
  136    H    SER  17           HN       SER  17  -5.461   2.579  -5.361
  137    HA   SER  17           HA       SER  17  -6.909   0.919  -7.181
  138    HB2  SER  17           HB2      SER  17  -5.981   0.290  -4.383
  139    HB3  SER  17           HB1      SER  17  -6.262  -0.872  -5.688
  140    HG   SER  17           HG       SER  17  -4.608   0.354  -6.871
  141    H    ALA  18           HN       ALA  18  -7.662   2.827  -4.374
  142    HA   ALA  18           HA       ALA  18 -10.161   1.637  -3.776
  143    HB1  ALA  18           HB1      ALA  18  -9.014   3.156  -2.212
  144    HB2  ALA  18           HB2      ALA  18 -10.641   3.731  -2.583
  145    HB3  ALA  18           HB3      ALA  18  -9.243   4.489  -3.343
  146    H    GLY  19           HN       GLY  19  -9.026   3.783  -6.223
  147    HA2  GLY  19           HA2      GLY  19 -11.591   4.716  -7.097
  148    HA3  GLY  19           HA1      GLY  19 -10.074   4.831  -7.991
  149    H    GLU  20           HN       GLU  20  -9.575   1.956  -7.730
  150    HA   GLU  20           HA       GLU  20 -11.010   1.029 -10.014
  151    HB2  GLU  20           HB2      GLU  20  -8.682   0.311  -9.568
  152    HB3  GLU  20           HB1      GLU  20  -9.209  -0.483  -8.097
  153    HG2  GLU  20           HG2      GLU  20  -8.805  -2.078  -9.890
  154    HG3  GLU  20           HG1      GLU  20 -10.499  -2.079  -9.402
  155    H    THR  21           HN       THR  21 -11.234   0.718  -6.759
  156    HA   THR  21           HA       THR  21 -13.577  -1.073  -6.893
  157    HB   THR  21           HB       THR  21 -12.242  -0.114  -4.332
  158    HG1  THR  21           HG1      THR  21 -10.597  -1.085  -5.452
  159   HG21  THR  21          HG21      THR  21 -14.431  -1.244  -4.156
  160   HG22  THR  21          HG22      THR  21 -13.145  -2.225  -3.452
  161   HG23  THR  21          HG23      THR  21 -13.788  -2.624  -5.046
  162    H    ASP  22           HN       ASP  22 -14.213   1.091  -7.999
  163    HA   ASP  22           HA       ASP  22 -14.576   3.459  -6.589
  164    HB2  ASP  22           HB2      ASP  22 -15.800   4.305  -8.430
  165    HB3  ASP  22           HB1      ASP  22 -14.616   3.205  -9.112
  166    H    GLY  23           HN       GLY  23 -15.953   4.199  -5.280
  167    HA2  GLY  23           HA2      GLY  23 -18.412   4.368  -4.769
  168    HA3  GLY  23           HA1      GLY  23 -18.375   2.609  -4.705
  169    H    THR  24           HN       THR  24 -15.937   2.287  -3.418
  170    HA   THR  24           HA       THR  24 -16.495   3.465  -0.795
  171    HB   THR  24           HB       THR  24 -15.257   0.741  -1.337
  172    HG1  THR  24           HG1      THR  24 -17.349   0.631  -2.016
  173   HG21  THR  24          HG21      THR  24 -16.441   1.975   1.173
  174   HG22  THR  24          HG22      THR  24 -14.720   1.747   0.859
  175   HG23  THR  24          HG23      THR  24 -15.773   0.347   1.043
  176    H    ASP  25           HN       ASP  25 -15.099   5.172  -1.532
  177    HA   ASP  25           HA       ASP  25 -12.289   4.478  -1.999
  178    HB2  ASP  25           HB2      ASP  25 -13.748   6.199  -3.366
  179    HB3  ASP  25           HB1      ASP  25 -13.381   7.277  -2.030
  180    H    LEU  26           HN       LEU  26 -10.906   6.371  -1.001
  181    HA   LEU  26           HA       LEU  26 -11.663   6.729   1.784
  182    HB2  LEU  26           HB2      LEU  26  -9.266   6.234   2.449
  183    HB3  LEU  26           HB1      LEU  26 -10.208   4.859   1.924
  184    HG   LEU  26           HG       LEU  26  -9.002   5.415  -0.392
  185   HD11  LEU  26          HD11      LEU  26  -7.790   7.343   0.382
  186   HD12  LEU  26          HD12      LEU  26  -6.684   6.040  -0.061
  187   HD13  LEU  26          HD13      LEU  26  -7.016   6.375   1.638
  188   HD21  LEU  26          HD21      LEU  26  -7.324   3.723   0.175
  189   HD22  LEU  26          HD22      LEU  26  -8.942   3.278   0.715
  190   HD23  LEU  26          HD23      LEU  26  -7.758   3.883   1.878
  191    H    SER  27           HN       SER  27  -9.347   7.682  -0.689
  192    HA   SER  27           HA       SER  27  -8.501   9.683  -1.360
  193    HB2  SER  27           HB2      SER  27 -11.161  10.547  -0.423
  194    HB3  SER  27           HB1      SER  27 -10.136  11.521  -1.485
  195    HG   SER  27           HG       SER  27 -10.801   8.843  -2.200
  196    H    GLY  28           HN       GLY  28  -7.963   9.091   1.547
  197    HA2  GLY  28           HA2      GLY  28  -6.588  11.367   2.265
  198    HA3  GLY  28           HA1      GLY  28  -8.199  11.590   2.929
  199    H    ASP  29           HN       ASP  29  -8.836  10.390   4.673
  200    HA   ASP  29           HA       ASP  29  -6.716   9.299   6.278
  201    HB2  ASP  29           HB2      ASP  29  -8.566  10.615   7.276
  202    HB3  ASP  29           HB1      ASP  29  -9.702   9.360   6.800
  203    H    PHE  30           HN       PHE  30  -6.083   7.294   6.329
  204    HA   PHE  30           HA       PHE  30  -7.817   5.033   5.744
  205    HB2  PHE  30           HB2      PHE  30  -6.769   4.299   3.646
  206    HB3  PHE  30           HB1      PHE  30  -7.161   5.988   3.484
  207    HD1  PHE  30           HD2      PHE  30  -5.463   7.714   3.436
  208    HD2  PHE  30           HD1      PHE  30  -4.415   3.627   3.792
  209    HE1  PHE  30           HE2      PHE  30  -3.162   8.249   2.785
  210    HE2  PHE  30           HE1      PHE  30  -2.118   4.155   3.140
  211    HZ   PHE  30           HZ       PHE  30  -1.435   6.510   2.872
  212    H    LEU  31           HN       LEU  31  -4.778   6.421   6.670
  213    HA   LEU  31           HA       LEU  31  -2.936   4.431   6.508
  214    HB2  LEU  31           HB2      LEU  31  -2.480   6.781   6.992
  215    HB3  LEU  31           HB1      LEU  31  -3.089   6.562   8.622
  216    HG   LEU  31           HG       LEU  31  -1.261   4.875   8.971
  217   HD11  LEU  31          HD11      LEU  31  -0.251   5.995   6.364
  218   HD12  LEU  31          HD12      LEU  31  -0.803   4.345   6.654
  219   HD13  LEU  31          HD13      LEU  31   0.653   4.940   7.451
  220   HD21  LEU  31          HD21      LEU  31  -0.429   7.692   8.290
  221   HD22  LEU  31          HD22      LEU  31   0.484   6.568   9.293
  222   HD23  LEU  31          HD23      LEU  31  -1.094   7.151   9.830
  223    H    ASP  32           HN       ASP  32  -5.111   5.030   9.222
  224    HA   ASP  32           HA       ASP  32  -3.909   2.719  10.588
  225    HB2  ASP  32           HB2      ASP  32  -4.179   5.031  11.687
  226    HB3  ASP  32           HB1      ASP  32  -5.885   4.628  11.806
  227    H    LEU  33           HN       LEU  33  -6.303   3.179   8.493
  228    HA   LEU  33           HA       LEU  33  -8.398   1.729   9.890
  229    HB2  LEU  33           HB2      LEU  33  -8.285   2.871   7.093
  230    HB3  LEU  33           HB1      LEU  33  -9.633   1.941   7.698
  231    HG   LEU  33           HG       LEU  33 -10.003   3.730   9.417
  232   HD11  LEU  33          HD11      LEU  33  -7.987   5.251   7.788
  233   HD12  LEU  33          HD12      LEU  33  -7.789   4.713   9.455
  234   HD13  LEU  33          HD13      LEU  33  -9.013   5.920   9.057
  235   HD21  LEU  33          HD21      LEU  33 -11.331   3.619   7.393
  236   HD22  LEU  33          HD22      LEU  33 -10.122   4.562   6.527
  237   HD23  LEU  33          HD23      LEU  33 -11.031   5.296   7.851
  238    H    ARG  34           HN       ARG  34  -9.235  -0.222   9.076
  239    HA   ARG  34           HA       ARG  34  -7.202  -2.005   8.140
  240    HB2  ARG  34           HB2      ARG  34 -10.142  -2.365   8.654
  241    HB3  ARG  34           HB1      ARG  34  -9.121  -3.658   8.046
  242    HG2  ARG  34           HG2      ARG  34  -8.835  -2.217  10.666
  243    HG3  ARG  34           HG1      ARG  34  -9.388  -3.881  10.422
  244    HD2  ARG  34           HD2      ARG  34  -7.120  -4.219   9.236
  245    HD3  ARG  34           HD1      ARG  34  -6.676  -2.709  10.004
  246    HE   ARG  34           HE       ARG  34  -7.133  -3.742  12.136
  247   HH11  ARG  34          HH11      ARG  34  -6.655  -5.824   9.331
  248   HH12  ARG  34          HH12      ARG  34  -5.985  -7.133  10.182
  249   HH21  ARG  34          HH21      ARG  34  -6.354  -5.589  13.382
  250   HH22  ARG  34          HH22      ARG  34  -5.854  -7.023  12.559
  251    H    PHE  35           HN       PHE  35  -7.007  -2.969   6.164
  252    HA   PHE  35           HA       PHE  35  -7.766  -1.597   3.865
  253    HB2  PHE  35           HB2      PHE  35  -7.017  -4.507   4.156
  254    HB3  PHE  35           HB1      PHE  35  -7.166  -3.664   2.617
  255    HD1  PHE  35           HD2      PHE  35  -5.753  -1.474   2.423
  256    HD2  PHE  35           HD1      PHE  35  -4.972  -4.630   5.153
  257    HE1  PHE  35           HE2      PHE  35  -3.417  -0.741   2.592
  258    HE2  PHE  35           HE1      PHE  35  -2.660  -3.910   5.340
  259    HZ   PHE  35           HZ       PHE  35  -1.858  -1.962   4.053
  260    H    GLU  36           HN       GLU  36  -9.176  -4.357   5.401
  261    HA   GLU  36           HA       GLU  36 -11.275  -5.017   3.726
  262    HB2  GLU  36           HB2      GLU  36 -11.533  -4.911   6.723
  263    HB3  GLU  36           HB1      GLU  36 -12.321  -6.011   5.607
  264    HG2  GLU  36           HG2      GLU  36  -9.402  -5.986   6.348
  265    HG3  GLU  36           HG1      GLU  36 -10.614  -7.147   6.867
  266    H    ASP  37           HN       ASP  37 -10.913  -2.312   5.879
  267    HA   ASP  37           HA       ASP  37 -13.730  -1.585   5.919
  268    HB2  ASP  37           HB2      ASP  37 -11.991  -1.479   7.859
  269    HB3  ASP  37           HB1      ASP  37 -11.459   0.002   7.084
  270    H    ILE  38           HN       ILE  38 -10.873  -0.871   4.117
  271    HA   ILE  38           HA       ILE  38 -11.937   1.732   3.275
  272    HB   ILE  38           HB       ILE  38  -9.695   2.214   2.329
  273   HG12  ILE  38          HG12      ILE  38  -8.826  -0.275   3.812
  274   HG13  ILE  38          HG11      ILE  38  -8.894  -0.200   2.069
  275   HG21  ILE  38          HG21      ILE  38  -8.604   2.647   4.482
  276   HG22  ILE  38          HG22      ILE  38  -9.776   1.592   5.270
  277   HG23  ILE  38          HG23      ILE  38 -10.316   3.076   4.490
  278   HD11  ILE  38          HD11      ILE  38  -6.640   0.047   2.831
  279   HD12  ILE  38          HD12      ILE  38  -7.094   1.378   3.900
  280   HD13  ILE  38          HD13      ILE  38  -7.167   1.585   2.151
  281    H    GLY  39           HN       GLY  39 -12.914  -0.810   2.203
  282    HA2  GLY  39           HA2      GLY  39 -13.768  -1.343   0.115
  283    HA3  GLY  39           HA1      GLY  39 -12.877   0.015  -0.554
  284    H    TYR  40           HN       TYR  40 -10.838  -1.974   1.224
  285    HA   TYR  40           HA       TYR  40  -9.867  -3.107  -1.239
  286    HB2  TYR  40           HB2      TYR  40  -8.658  -2.660   1.480
  287    HB3  TYR  40           HB1      TYR  40  -7.939  -3.820   0.383
  288    HD1  TYR  40           HD2      TYR  40  -9.419  -0.481  -0.435
  289    HD2  TYR  40           HD1      TYR  40  -5.949  -2.913  -0.179
  290    HE1  TYR  40           HE2      TYR  40  -8.122   1.254  -1.588
  291    HE2  TYR  40           HE1      TYR  40  -4.652  -1.196  -1.329
  292    HH   TYR  40           HH       TYR  40  -4.889   0.629  -2.694
  293    H    ASP  41           HN       ASP  41 -10.941  -4.796  -1.733
  294    HA   ASP  41           HA       ASP  41 -12.025  -6.595   0.250
  295    HB2  ASP  41           HB2      ASP  41 -13.333  -6.020  -1.751
  296    HB3  ASP  41           HB1      ASP  41 -12.065  -6.666  -2.783
  297    H    SER  42           HN       SER  42  -9.572  -6.438  -2.149
  298    HA   SER  42           HA       SER  42  -7.645  -8.016  -0.990
  299    HB2  SER  42           HB2      SER  42  -7.774 -10.081  -2.431
  300    HB3  SER  42           HB1      SER  42  -9.112  -9.962  -1.278
  301    H    LEU  43           HN       LEU  43  -9.151  -7.785  -4.148
  302    HA   LEU  43           HA       LEU  43  -6.976  -7.676  -5.817
  303    HB2  LEU  43           HB2      LEU  43  -9.266  -7.904  -6.594
  304    HB3  LEU  43           HB1      LEU  43  -9.601  -6.245  -6.151
  305    HG   LEU  43           HG       LEU  43  -7.911  -5.517  -7.841
  306   HD11  LEU  43          HD11      LEU  43  -7.224  -7.097  -9.567
  307   HD12  LEU  43          HD12      LEU  43  -7.963  -8.417  -8.657
  308   HD13  LEU  43          HD13      LEU  43  -6.590  -7.537  -7.981
  309   HD21  LEU  43          HD21      LEU  43 -10.222  -7.159  -8.862
  310   HD22  LEU  43          HD22      LEU  43  -9.362  -5.921  -9.773
  311   HD23  LEU  43          HD23      LEU  43 -10.286  -5.478  -8.338
  312    H    ALA  44           HN       ALA  44  -8.489  -4.931  -4.165
  313    HA   ALA  44           HA       ALA  44  -6.978  -2.974  -5.467
  314    HB1  ALA  44           HB1      ALA  44  -9.026  -2.487  -4.216
  315    HB2  ALA  44           HB2      ALA  44  -7.681  -1.454  -3.728
  316    HB3  ALA  44           HB3      ALA  44  -8.166  -2.807  -2.708
  317    H    LEU  45           HN       LEU  45  -6.074  -5.070  -2.789
  318    HA   LEU  45           HA       LEU  45  -3.956  -3.449  -1.847
  319    HB2  LEU  45           HB2      LEU  45  -4.715  -6.289  -1.492
  320    HB3  LEU  45           HB1      LEU  45  -3.067  -5.840  -1.125
  321    HG   LEU  45           HG       LEU  45  -5.501  -4.597   0.176
  322   HD11  LEU  45          HD11      LEU  45  -3.427  -6.497   1.173
  323   HD12  LEU  45          HD12      LEU  45  -5.075  -7.002   0.742
  324   HD13  LEU  45          HD13      LEU  45  -4.791  -5.876   2.100
  325   HD21  LEU  45          HD21      LEU  45  -3.607  -3.112   0.072
  326   HD22  LEU  45          HD22      LEU  45  -2.568  -4.430   0.628
  327   HD23  LEU  45          HD23      LEU  45  -3.806  -3.766   1.708
  328    H    MET  46           HN       MET  46  -3.980  -6.239  -3.887
  329    HA   MET  46           HA       MET  46  -1.242  -6.158  -4.552
  330    HB2  MET  46           HB2      MET  46  -1.716  -7.710  -6.329
  331    HB3  MET  46           HB1      MET  46  -2.667  -8.135  -4.922
  332    HG2  MET  46           HG2      MET  46  -4.206  -8.410  -6.549
  333    HG3  MET  46           HG1      MET  46  -4.486  -6.709  -6.106
  334    HE1  MET  46           HE1      MET  46  -2.751  -9.102  -8.732
  335    HE2  MET  46           HE2      MET  46  -1.439  -8.049  -8.203
  336    HE3  MET  46           HE3      MET  46  -2.054  -7.931  -9.852
  337    H    GLU  47           HN       GLU  47  -3.956  -4.473  -5.847
  338    HA   GLU  47           HA       GLU  47  -2.795  -3.525  -8.232
  339    HB2  GLU  47           HB2      GLU  47  -5.272  -3.547  -7.248
  340    HB3  GLU  47           HB1      GLU  47  -4.816  -1.965  -6.653
  341    HG2  GLU  47           HG2      GLU  47  -4.823  -2.822  -9.539
  342    HG3  GLU  47           HG1      GLU  47  -6.078  -1.884  -8.743
  343    H    THR  48           HN       THR  48  -3.188  -2.088  -4.990
  344    HA   THR  48           HA       THR  48  -1.633   0.245  -5.318
  345    HB   THR  48           HB       THR  48  -2.154  -1.427  -2.820
  346    HG1  THR  48           HG1      THR  48  -3.740   0.027  -4.401
  347   HG21  THR  48          HG21      THR  48  -1.795   0.655  -1.594
  348   HG22  THR  48          HG22      THR  48  -1.427   1.502  -3.099
  349   HG23  THR  48          HG23      THR  48  -0.348   0.234  -2.508
  350    H    ALA  49           HN       ALA  49  -0.772  -3.000  -4.173
  351    HA   ALA  49           HA       ALA  49   1.906  -2.545  -3.573
  352    HB1  ALA  49           HB1      ALA  49   2.226  -4.955  -3.857
  353    HB2  ALA  49           HB2      ALA  49   0.670  -5.071  -4.676
  354    HB3  ALA  49           HB3      ALA  49   0.738  -4.620  -2.973
  355    H    ALA  50           HN       ALA  50   0.468  -3.748  -6.599
  356    HA   ALA  50           HA       ALA  50   2.754  -3.933  -8.146
  357    HB1  ALA  50           HB1      ALA  50  -0.013  -3.175  -9.062
  358    HB2  ALA  50           HB2      ALA  50   0.565  -4.819  -8.797
  359    HB3  ALA  50           HB3      ALA  50   1.277  -3.828 -10.072
  360    H    ARG  51           HN       ARG  51   0.749  -1.146  -7.485
  361    HA   ARG  51           HA       ARG  51   1.835   0.679  -9.334
  362    HB2  ARG  51           HB2      ARG  51   0.671   1.120  -6.583
  363    HB3  ARG  51           HB1      ARG  51   1.026   2.444  -7.663
  364    HG2  ARG  51           HG2      ARG  51  -0.915   0.212  -8.174
  365    HG3  ARG  51           HG1      ARG  51  -1.322   1.843  -7.641
  366    HD2  ARG  51           HD2      ARG  51  -0.567   2.779  -9.693
  367    HD3  ARG  51           HD1      ARG  51   0.139   1.243 -10.203
  368    HE   ARG  51           HE       ARG  51  -2.325   0.478  -9.927
  369   HH11  ARG  51          HH11      ARG  51  -1.335   3.603 -11.310
  370   HH12  ARG  51          HH12      ARG  51  -2.656   3.627 -12.406
  371   HH21  ARG  51          HH21      ARG  51  -3.948   0.530 -11.322
  372   HH22  ARG  51          HH22      ARG  51  -4.203   1.780 -12.472
  373    H    LEU  52           HN       LEU  52   2.566   0.211  -5.932
  374    HA   LEU  52           HA       LEU  52   4.766   1.984  -5.956
  375    HB2  LEU  52           HB2      LEU  52   3.923  -0.046  -3.901
  376    HB3  LEU  52           HB1      LEU  52   5.150   1.184  -3.655
  377    HG   LEU  52           HG       LEU  52   2.235   1.744  -4.240
  378   HD11  LEU  52          HD11      LEU  52   3.793   2.037  -1.694
  379   HD12  LEU  52          HD12      LEU  52   2.548   0.827  -2.009
  380   HD13  LEU  52          HD13      LEU  52   2.122   2.538  -1.944
  381   HD21  LEU  52          HD21      LEU  52   4.498   3.606  -3.542
  382   HD22  LEU  52          HD22      LEU  52   2.803   4.058  -3.715
  383   HD23  LEU  52          HD23      LEU  52   3.705   3.468  -5.112
  384    H    GLU  53           HN       GLU  53   4.554  -1.565  -6.139
  385    HA   GLU  53           HA       GLU  53   7.258  -2.155  -5.905
  386    HB2  GLU  53           HB2      GLU  53   5.238  -3.547  -7.681
  387    HB3  GLU  53           HB1      GLU  53   6.839  -4.159  -7.331
  388    HG2  GLU  53           HG2      GLU  53   6.106  -4.231  -4.885
  389    HG3  GLU  53           HG1      GLU  53   4.504  -3.861  -5.489
  390    H    SER  54           HN       SER  54   5.354  -1.613  -8.824
  391    HA   SER  54           HA       SER  54   7.443  -1.932 -10.651
  392    HB2  SER  54           HB2      SER  54   4.995  -2.137 -11.124
  393    HB3  SER  54           HB1      SER  54   4.879  -0.385 -11.033
  394    HG   SER  54           HG       SER  54   5.493  -1.896 -13.045
  395    H    ARG  55           HN       ARG  55   6.290   0.904  -8.920
  396    HA   ARG  55           HA       ARG  55   7.467   2.854 -10.585
  397    HB2  ARG  55           HB2      ARG  55   5.742   3.297  -8.811
  398    HB3  ARG  55           HB1      ARG  55   7.020   3.115  -7.612
  399    HG2  ARG  55           HG2      ARG  55   8.255   4.941  -8.854
  400    HG3  ARG  55           HG1      ARG  55   6.752   5.225  -9.729
  401    HD2  ARG  55           HD2      ARG  55   7.186   5.414  -6.758
  402    HD3  ARG  55           HD1      ARG  55   6.954   6.752  -7.876
  403    HE   ARG  55           HE       ARG  55   4.715   5.352  -8.228
  404   HH11  ARG  55          HH11      ARG  55   6.389   6.348  -5.208
  405   HH12  ARG  55          HH12      ARG  55   4.936   6.632  -4.378
  406   HH21  ARG  55          HH21      ARG  55   2.713   5.754  -6.967
  407   HH22  ARG  55          HH22      ARG  55   2.901   6.283  -5.335
  408    H    TYR  56           HN       TYR  56   8.714   1.026  -7.851
  409    HA   TYR  56           HA       TYR  56  11.266   2.459  -8.107
  410    HB2  TYR  56           HB2      TYR  56  10.251   0.791  -5.798
  411    HB3  TYR  56           HB1      TYR  56  11.792   1.645  -5.847
  412    HD1  TYR  56           HD2      TYR  56  11.771   4.169  -6.120
  413    HD2  TYR  56           HD1      TYR  56   8.312   1.899  -5.157
  414    HE1  TYR  56           HE2      TYR  56  10.723   6.176  -5.233
  415    HE2  TYR  56           HE1      TYR  56   7.243   3.897  -4.241
  416    HH   TYR  56           HH       TYR  56   7.768   5.963  -3.366
  417    H    GLY  57           HN       GLY  57   9.827  -0.462  -8.854
  418    HA2  GLY  57           HA2      GLY  57  10.727  -2.263  -9.959
  419    HA3  GLY  57           HA1      GLY  57  12.330  -1.557  -9.755
  420    H    VAL  58           HN       VAL  58  10.028  -2.152  -7.194
  421    HA   VAL  58           HA       VAL  58  12.010  -3.924  -5.971
  422    HB   VAL  58           HB       VAL  58  10.906  -3.500  -3.776
  423   HG11  VAL  58          HG11      VAL  58  11.817  -1.021  -5.215
  424   HG12  VAL  58          HG12      VAL  58  12.851  -2.198  -4.404
  425   HG13  VAL  58          HG13      VAL  58  11.728  -1.213  -3.464
  426   HG21  VAL  58          HG21      VAL  58   9.312  -1.635  -3.554
  427   HG22  VAL  58          HG22      VAL  58   8.665  -2.926  -4.568
  428   HG23  VAL  58          HG23      VAL  58   9.291  -1.455  -5.309
  429    H    SER  59           HN       SER  59  10.781  -5.454  -4.240
  430    HA   SER  59           HA       SER  59   8.668  -6.824  -5.763
  431    HB2  SER  59           HB2      SER  59  10.997  -8.167  -4.395
  432    HB3  SER  59           HB1      SER  59   9.793  -8.902  -5.457
  433    HG   SER  59           HG       SER  59  10.620  -7.416  -7.103
  434    H    ILE  60           HN       ILE  60   6.971  -7.173  -4.483
  435    HA   ILE  60           HA       ILE  60   7.347  -7.468  -1.569
  436    HB   ILE  60           HB       ILE  60   4.876  -6.704  -3.157
  437   HG12  ILE  60          HG12      ILE  60   6.579  -5.029  -1.306
  438   HG13  ILE  60          HG11      ILE  60   6.596  -4.943  -3.066
  439   HG21  ILE  60          HG21      ILE  60   3.824  -6.268  -0.973
  440   HG22  ILE  60          HG22      ILE  60   5.264  -6.882  -0.162
  441   HG23  ILE  60          HG23      ILE  60   4.282  -7.963  -1.150
  442   HD11  ILE  60          HD11      ILE  60   5.291  -3.161  -2.088
  443   HD12  ILE  60          HD12      ILE  60   4.249  -4.342  -1.294
  444   HD13  ILE  60          HD13      ILE  60   4.277  -4.230  -3.057
  445    HA   PRO  61           HA       PRO  61   6.201 -11.771  -2.317
  446    HB2  PRO  61           HB2      PRO  61   5.642 -11.699   0.600
  447    HB3  PRO  61           HB1      PRO  61   6.706 -12.784  -0.310
  448    HG2  PRO  61           HG2      PRO  61   7.715 -10.874   1.240
  449    HG3  PRO  61           HG1      PRO  61   8.455 -11.256  -0.328
  450    HD2  PRO  61           HD2      PRO  61   6.643  -8.990   0.413
  451    HD3  PRO  61           HD1      PRO  61   8.104  -8.980  -0.601
  452    H    ASP  62           HN       ASP  62   4.312 -12.651  -2.756
  453    HA   ASP  62           HA       ASP  62   1.942 -11.176  -2.833
  454    HB2  ASP  62           HB2      ASP  62   2.333 -14.163  -3.082
  455    HB3  ASP  62           HB1      ASP  62   0.798 -13.359  -3.356
  456    H    ASP  63           HN       ASP  63   2.899 -13.726  -0.568
  457    HA   ASP  63           HA       ASP  63   0.358 -13.587   0.752
  458    HB2  ASP  63           HB2      ASP  63   1.624 -15.690   0.785
  459    HB3  ASP  63           HB1      ASP  63   2.901 -14.911   1.716
  460    H    VAL  64           HN       VAL  64   3.293 -11.881   1.015
  461    HA   VAL  64           HA       VAL  64   2.711 -11.042   3.673
  462    HB   VAL  64           HB       VAL  64   4.844  -9.955   1.790
  463   HG11  VAL  64          HG11      VAL  64   4.235  -8.313   3.511
  464   HG12  VAL  64          HG12      VAL  64   5.846  -8.970   3.798
  465   HG13  VAL  64          HG13      VAL  64   4.480  -9.531   4.763
  466   HG21  VAL  64          HG21      VAL  64   6.384 -11.274   3.158
  467   HG22  VAL  64          HG22      VAL  64   5.174 -12.296   2.381
  468   HG23  VAL  64          HG23      VAL  64   5.023 -11.898   4.092
  469    H    ALA  65           HN       ALA  65   2.152  -9.837   0.446
  470    HA   ALA  65           HA       ALA  65   1.107  -7.317   1.194
  471    HB1  ALA  65           HB1      ALA  65  -0.048  -7.308  -0.967
  472    HB2  ALA  65           HB2      ALA  65   0.328  -9.017  -1.199
  473    HB3  ALA  65           HB3      ALA  65   1.627  -7.819  -1.142
  474    H    GLY  66           HN       GLY  66  -0.065 -10.475   1.585
  475    HA2  GLY  66           HA2      GLY  66  -2.690  -9.447   2.451
  476    HA3  GLY  66           HA1      GLY  66  -2.380 -11.114   1.959
  477    H    ARG  67           HN       ARG  67  -0.084  -9.406   3.793
  478    HA   ARG  67           HA       ARG  67  -0.804 -10.809   6.298
  479    HB2  ARG  67           HB2      ARG  67   1.145 -11.801   5.115
  480    HB3  ARG  67           HB1      ARG  67   1.956 -10.252   5.174
  481    HG2  ARG  67           HG2      ARG  67   1.972 -10.394   7.632
  482    HG3  ARG  67           HG1      ARG  67   1.237 -12.000   7.513
  483    HD2  ARG  67           HD2      ARG  67   3.880 -11.167   6.335
  484    HD3  ARG  67           HD1      ARG  67   3.660 -12.156   7.776
  485    HE   ARG  67           HE       ARG  67   2.308 -13.332   5.601
  486   HH11  ARG  67          HH11      ARG  67   5.650 -12.721   6.599
  487   HH12  ARG  67          HH12      ARG  67   6.232 -14.213   6.033
  488   HH21  ARG  67          HH21      ARG  67   3.128 -15.276   4.686
  489   HH22  ARG  67          HH22      ARG  67   4.763 -15.714   4.902
  490    H    VAL  68           HN       VAL  68  -0.059  -7.966   4.636
  491    HA   VAL  68           HA       VAL  68   0.559  -6.387   6.943
  492    HB   VAL  68           HB       VAL  68   0.332  -4.456   5.273
  493   HG11  VAL  68          HG11      VAL  68   2.385  -4.985   4.082
  494   HG12  VAL  68          HG12      VAL  68   2.209  -6.682   4.537
  495   HG13  VAL  68          HG13      VAL  68   2.480  -5.458   5.780
  496   HG21  VAL  68          HG21      VAL  68   0.262  -5.011   2.894
  497   HG22  VAL  68          HG22      VAL  68  -1.218  -5.526   3.704
  498   HG23  VAL  68          HG23      VAL  68   0.023  -6.712   3.292
  499    H    ASP  69           HN       ASP  69  -0.940  -5.883   8.298
  500    HA   ASP  69           HA       ASP  69  -3.716  -6.163   7.484
  501    HB2  ASP  69           HB2      ASP  69  -2.383  -6.124  10.154
  502    HB3  ASP  69           HB1      ASP  69  -4.112  -5.824  10.034
  503    H    THR  70           HN       THR  70  -1.562  -3.633   8.352
  504    HA   THR  70           HA       THR  70  -3.803  -1.783   7.985
  505    HB   THR  70           HB       THR  70  -2.498  -0.166   9.467
  506    HG1  THR  70           HG1      THR  70  -1.258  -2.523  10.451
  507   HG21  THR  70          HG21      THR  70  -4.522  -1.297  10.282
  508   HG22  THR  70          HG22      THR  70  -3.339  -1.129  11.577
  509   HG23  THR  70          HG23      THR  70  -3.554  -2.687  10.775
  510    HA   PRO  71           HA       PRO  71  -1.547  -0.039   4.591
  511    HB2  PRO  71           HB2      PRO  71  -2.371   2.585   5.747
  512    HB3  PRO  71           HB1      PRO  71  -2.553   1.979   4.094
  513    HG2  PRO  71           HG2      PRO  71  -4.641   2.040   5.696
  514    HG3  PRO  71           HG1      PRO  71  -4.368   0.633   4.649
  515    HD2  PRO  71           HD2      PRO  71  -3.867   0.937   7.584
  516    HD3  PRO  71           HD1      PRO  71  -4.518  -0.448   6.688
  517    H    ARG  72           HN       ARG  72  -1.192   1.546   7.733
  518    HA   ARG  72           HA       ARG  72   1.258   2.808   7.376
  519    HB2  ARG  72           HB2      ARG  72  -0.292   2.859   9.412
  520    HB3  ARG  72           HB1      ARG  72   0.494   1.370   9.916
  521    HG2  ARG  72           HG2      ARG  72   2.669   2.580   9.862
  522    HG3  ARG  72           HG1      ARG  72   1.778   4.066   9.544
  523    HD2  ARG  72           HD2      ARG  72   1.646   2.319  11.995
  524    HD3  ARG  72           HD1      ARG  72   2.246   3.967  11.884
  525    HE   ARG  72           HE       ARG  72  -0.584   3.223  11.504
  526   HH11  ARG  72          HH11      ARG  72   1.795   5.628  12.562
  527   HH12  ARG  72          HH12      ARG  72   0.735   6.468  13.595
  528   HH21  ARG  72          HH21      ARG  72  -2.075   4.330  13.014
  529   HH22  ARG  72          HH22      ARG  72  -1.501   5.684  13.878
  530    H    GLU  73           HN       GLU  73   0.564  -0.513   8.344
  531    HA   GLU  73           HA       GLU  73   3.232  -1.384   8.619
  532    HB2  GLU  73           HB2      GLU  73   1.404  -2.481   9.761
  533    HB3  GLU  73           HB1      GLU  73   0.638  -2.875   8.236
  534    HG2  GLU  73           HG2      GLU  73   2.322  -4.470   7.722
  535    HG3  GLU  73           HG1      GLU  73   3.307  -3.947   9.091
  536    H    LEU  74           HN       LEU  74   0.957  -1.417   5.951
  537    HA   LEU  74           HA       LEU  74   2.567  -2.937   4.176
  538    HB2  LEU  74           HB2      LEU  74   0.115  -2.648   3.896
  539    HB3  LEU  74           HB1      LEU  74   0.338  -0.948   3.594
  540    HG   LEU  74           HG       LEU  74  -0.224  -2.480   1.616
  541   HD11  LEU  74          HD11      LEU  74   2.224  -0.715   1.396
  542   HD12  LEU  74          HD12      LEU  74   0.547  -0.180   1.284
  543   HD13  LEU  74          HD13      LEU  74   1.217  -1.245   0.049
  544   HD21  LEU  74          HD21      LEU  74   2.696  -3.186   1.900
  545   HD22  LEU  74          HD22      LEU  74   1.679  -3.582   0.513
  546   HD23  LEU  74          HD23      LEU  74   1.327  -4.280   2.095
  547    H    LEU  75           HN       LEU  75   2.176   0.522   4.712
  548    HA   LEU  75           HA       LEU  75   3.993   1.567   2.877
  549    HB2  LEU  75           HB2      LEU  75   2.481   2.913   4.257
  550    HB3  LEU  75           HB1      LEU  75   3.376   2.469   5.690
  551    HG   LEU  75           HG       LEU  75   5.344   3.689   4.806
  552   HD11  LEU  75          HD11      LEU  75   5.060   5.199   2.916
  553   HD12  LEU  75          HD12      LEU  75   3.444   4.545   2.638
  554   HD13  LEU  75          HD13      LEU  75   4.861   3.512   2.440
  555   HD21  LEU  75          HD21      LEU  75   3.804   4.777   6.346
  556   HD22  LEU  75          HD22      LEU  75   2.806   5.300   4.989
  557   HD23  LEU  75          HD23      LEU  75   4.441   5.933   5.174
  558    H    ASP  76           HN       ASP  76   4.467   0.574   6.216
  559    HA   ASP  76           HA       ASP  76   7.211   1.035   6.448
  560    HB2  ASP  76           HB2      ASP  76   5.783   0.629   8.375
  561    HB3  ASP  76           HB1      ASP  76   5.508  -1.026   7.851
  562    H    LEU  77           HN       LEU  77   5.470  -1.758   5.260
  563    HA   LEU  77           HA       LEU  77   7.614  -3.566   5.059
  564    HB2  LEU  77           HB2      LEU  77   5.266  -4.222   4.858
  565    HB3  LEU  77           HB1      LEU  77   5.131  -3.315   3.367
  566    HG   LEU  77           HG       LEU  77   6.834  -4.848   2.369
  567   HD11  LEU  77          HD11      LEU  77   7.880  -5.634   4.398
  568   HD12  LEU  77          HD12      LEU  77   7.247  -6.989   3.464
  569   HD13  LEU  77          HD13      LEU  77   6.381  -6.420   4.893
  570   HD21  LEU  77          HD21      LEU  77   5.255  -6.691   2.034
  571   HD22  LEU  77          HD22      LEU  77   4.460  -5.121   1.931
  572   HD23  LEU  77          HD23      LEU  77   4.289  -6.100   3.388
  573    H    ILE  78           HN       ILE  78   6.258  -1.251   2.737
  574    HA   ILE  78           HA       ILE  78   8.152  -1.974   0.742
  575    HB   ILE  78           HB       ILE  78   6.302   0.437   0.832
  576   HG12  ILE  78          HG12      ILE  78   6.098  -2.283  -0.466
  577   HG13  ILE  78          HG11      ILE  78   5.088  -1.637   0.817
  578   HG21  ILE  78          HG21      ILE  78   7.894  -0.678  -1.507
  579   HG22  ILE  78          HG22      ILE  78   8.237   0.830  -0.665
  580   HG23  ILE  78          HG23      ILE  78   6.752   0.668  -1.588
  581   HD11  ILE  78          HD11      ILE  78   4.197   0.024  -0.779
  582   HD12  ILE  78          HD12      ILE  78   3.918  -1.653  -1.271
  583   HD13  ILE  78          HD13      ILE  78   5.192  -0.726  -2.038
  584    H    ASN  79           HN       ASN  79   7.905   0.552   3.136
  585    HA   ASN  79           HA       ASN  79  10.231   1.902   2.316
  586    HB2  ASN  79           HB2      ASN  79   8.823   1.844   4.979
  587    HB3  ASN  79           HB1      ASN  79  10.295   2.777   4.727
  588   HD21  ASN  79          HD21      ASN  79   7.765   3.906   5.405
  589   HD22  ASN  79          HD22      ASN  79   7.286   4.875   4.052
  590    H    GLY  80           HN       GLY  80   9.782  -0.924   4.246
  591    HA2  GLY  80           HA2      GLY  80  12.456  -1.152   5.164
  592    HA3  GLY  80           HA1      GLY  80  11.294  -2.471   5.010
  593    H    ALA  81           HN       ALA  81  10.762  -2.191   2.272
  594    HA   ALA  81           HA       ALA  81  12.980  -3.588   1.139
  595    HB1  ALA  81           HB1      ALA  81  11.652  -3.584  -0.939
  596    HB2  ALA  81           HB2      ALA  81  10.523  -2.439  -0.215
  597    HB3  ALA  81           HB3      ALA  81  10.668  -4.066   0.443
  598    H    LEU  82           HN       LEU  82  11.657  -0.354   0.838
  599    HA   LEU  82           HA       LEU  82  13.449   0.599  -1.117
  600    HB2  LEU  82           HB2      LEU  82  11.757   2.055   0.892
  601    HB3  LEU  82           HB1      LEU  82  12.693   2.863  -0.345
  602    HG   LEU  82           HG       LEU  82  10.394   0.964  -0.802
  603   HD11  LEU  82          HD11      LEU  82   9.259   2.951  -1.665
  604   HD12  LEU  82          HD12      LEU  82  10.653   3.934  -1.218
  605   HD13  LEU  82          HD13      LEU  82   9.700   3.136   0.034
  606   HD21  LEU  82          HD21      LEU  82  12.073   0.752  -2.557
  607   HD22  LEU  82          HD22      LEU  82  12.078   2.502  -2.777
  608   HD23  LEU  82          HD23      LEU  82  10.634   1.569  -3.167
  609    H    ALA  83           HN       ALA  83  13.743   0.207   2.298
  610    HA   ALA  83           HA       ALA  83  15.854   1.984   2.790
  611    HB1  ALA  83           HB1      ALA  83  15.303  -0.686   4.098
  612    HB2  ALA  83           HB2      ALA  83  14.617   0.862   4.588
  613    HB3  ALA  83           HB3      ALA  83  16.354   0.579   4.737
  614    H    GLU  84           HN       GLU  84  15.726  -1.173   1.357
  615    HA   GLU  84           HA       GLU  84  18.629  -1.301   1.079
  616    HB2  GLU  84           HB2      GLU  84  16.467  -3.113   0.008
  617    HB3  GLU  84           HB1      GLU  84  18.191  -3.391  -0.141
  618    HG2  GLU  84           HG2      GLU  84  18.340  -3.559   2.302
  619    HG3  GLU  84           HG1      GLU  84  16.586  -3.358   2.390
  620    H    ALA  85           HN       ALA  85  15.698  -0.917  -0.758
  621    HA   ALA  85           HA       ALA  85  15.136  -0.233  -2.776
  622    HB1  ALA  85           HB1      ALA  85  17.850   1.097  -2.890
  623    HB2  ALA  85           HB2      ALA  85  16.384   1.827  -2.240
  624    HB3  ALA  85           HB3      ALA  85  16.486   1.430  -3.956
  625    H    ALA  86           HN       ALA  86  14.955  -2.202  -3.561
  626    HA   ALA  86           HA       ALA  86  17.181  -3.154  -5.178
  627    HB1  ALA  86           HB1      ALA  86  16.537  -5.442  -4.564
  628    HB2  ALA  86           HB2      ALA  86  15.303  -4.801  -3.479
  629    HB3  ALA  86           HB3      ALA  86  17.009  -4.501  -3.149
  630   H281  PSR  87          H28A      PSR  87  -8.135 -10.727  -6.215
  631   H282  PSR  87          H28B      PSR  87  -7.522  -9.734  -4.894
  632   H301  PSR  87          H30A      PSR  87  -5.489  -9.601  -6.107
  633   H302  PSR  87          H30B      PSR  87  -6.061 -10.693  -7.387
  634   H303  PSR  87          H30C      PSR  87  -4.536 -11.019  -6.540
  635   H311  PSR  87          H31A      PSR  87  -5.333 -10.230  -3.846
  636   H312  PSR  87          H31B      PSR  87  -4.494 -11.729  -4.202
  637   H313  PSR  87          H31C      PSR  87  -6.004 -11.756  -3.291
  638   H321  PSR  87          H32A      PSR  87  -5.377 -13.350  -6.019
  639   H331  PSR  87          H33A      PSR  87  -7.753 -13.645  -6.906
  640   H361  PSR  87          H36A      PSR  87  -5.904 -13.493  -3.466
  641   H371  PSR  87          H37A      PSR  87  -8.393 -14.550  -2.583
  642   H372  PSR  87          H37B      PSR  87  -7.239 -15.834  -2.926
  643   H381  PSR  87          H38A      PSR  87  -7.078 -15.283  -0.614
  644   H382  PSR  87          H38B      PSR  87  -5.596 -14.739  -1.420
  645   H411  PSR  87          H41A      PSR  87  -5.069 -13.270   0.047
  646   H421  PSR  87          H42A      PSR  87  -6.796 -10.911   0.587
  647   H422  PSR  87          H42B      PSR  87  -5.630 -11.598   1.693
  648   H431  PSR  87          H43A      PSR  87  -3.808 -11.097   0.007
  649   H432  PSR  87          H43B      PSR  87  -4.560  -9.779   0.889
  650   HC21  PSR  87          H2A       PSR  87  -2.772 -10.724  -0.755
  651   HC22  PSR  87          H2B       PSR  87  -1.709  -9.362  -1.095
  652   HC31  PSR  87          H3A       PSR  87  -2.606 -11.371  -3.181
  653   HC32  PSR  87          H3B       PSR  87  -1.101 -11.513  -2.259
  654   HC41  PSR  87          H4C       PSR  87  -0.711 -10.521  -4.453
  655   HC42  PSR  87          H4A       PSR  87  -0.351  -9.375  -3.161
  656   HC43  PSR  87          H4B       PSR  87  -1.852  -9.228  -4.076
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  18.500  10.438   9.205
    2    H2   MET   1           HT2      MET   1  17.123   9.901   8.401
    3    H3   MET   1           HT3      MET   1  18.367  10.618   7.521
    4    HA   MET   1           HA       MET   1  19.857   8.847   8.047
    5    HB2  MET   1           HB2      MET   1  18.863   8.124  10.162
    6    HB3  MET   1           HB1      MET   1  17.387   7.650   9.335
    7    HG2  MET   1           HG2      MET   1  18.636   5.918   8.129
    8    HG3  MET   1           HG1      MET   1  20.098   6.380   8.999
    9    HE1  MET   1           HE1      MET   1  19.249   5.368  12.674
   10    HE2  MET   1           HE2      MET   1  19.071   6.954  11.923
   11    HE3  MET   1           HE3      MET   1  20.492   5.968  11.576
   12    H    ALA   2           HN       ALA   2  16.400   8.238   7.336
   13    HA   ALA   2           HA       ALA   2  17.242   7.323   4.685
   14    HB1  ALA   2           HB1      ALA   2  16.600   5.405   6.067
   15    HB2  ALA   2           HB2      ALA   2  15.426   5.682   4.782
   16    HB3  ALA   2           HB3      ALA   2  15.058   6.179   6.432
   17    H    THR   3           HN       THR   3  15.698   7.739   3.049
   18    HA   THR   3           HA       THR   3  13.647   9.669   3.817
   19    HB   THR   3           HB       THR   3  15.398  10.739   2.460
   20    HG1  THR   3           HG1      THR   3  12.889  10.441   1.160
   21   HG21  THR   3          HG21      THR   3  16.331   8.824   1.276
   22   HG22  THR   3          HG22      THR   3  15.875  10.079   0.123
   23   HG23  THR   3          HG23      THR   3  14.852   8.659   0.328
   24    H    LEU   4           HN       LEU   4  11.840   8.549   3.909
   25    HA   LEU   4           HA       LEU   4  11.433   6.401   1.955
   26    HB2  LEU   4           HB2      LEU   4  10.568   6.511   4.836
   27    HB3  LEU   4           HB1      LEU   4  10.184   5.226   3.705
   28    HG   LEU   4           HG       LEU   4  12.972   5.947   4.624
   29   HD11  LEU   4          HD11      LEU   4  11.189   3.658   5.401
   30   HD12  LEU   4          HD12      LEU   4  11.669   5.001   6.434
   31   HD13  LEU   4          HD13      LEU   4  12.879   3.843   5.868
   32   HD21  LEU   4          HD21      LEU   4  11.972   3.631   2.966
   33   HD22  LEU   4          HD22      LEU   4  13.624   3.847   3.540
   34   HD23  LEU   4          HD23      LEU   4  12.936   4.985   2.379
   35    H    LEU   5           HN       LEU   5   9.013   5.756   2.109
   36    HA   LEU   5           HA       LEU   5   7.547   7.927   0.987
   37    HB2  LEU   5           HB2      LEU   5   6.627   5.171   1.768
   38    HB3  LEU   5           HB1      LEU   5   5.710   6.311   0.812
   39    HG   LEU   5           HG       LEU   5   8.297   5.005   0.009
   40   HD11  LEU   5          HD11      LEU   5   5.469   4.633  -0.974
   41   HD12  LEU   5          HD12      LEU   5   6.397   3.480  -0.014
   42   HD13  LEU   5          HD13      LEU   5   6.906   3.873  -1.658
   43   HD21  LEU   5          HD21      LEU   5   8.114   7.257  -0.862
   44   HD22  LEU   5          HD22      LEU   5   6.490   6.900  -1.453
   45   HD23  LEU   5          HD23      LEU   5   7.883   6.070  -2.149
   46    H    THR   6           HN       THR   6   6.214   9.289   1.987
   47    HA   THR   6           HA       THR   6   5.509   8.729   4.740
   48    HB   THR   6           HB       THR   6   4.833  11.144   4.743
   49    HG1  THR   6           HG1      THR   6   5.688  12.325   2.853
   50   HG21  THR   6          HG21      THR   6   7.099  10.494   5.457
   51   HG22  THR   6          HG22      THR   6   7.120  12.054   4.634
   52   HG23  THR   6          HG23      THR   6   7.654  10.600   3.786
   53    H    THR   7           HN       THR   7   3.149   9.874   5.159
   54    HA   THR   7           HA       THR   7   1.226   8.272   4.065
   55    HB   THR   7           HB       THR   7   0.776  11.078   5.078
   56    HG1  THR   7           HG1      THR   7   0.587   9.567   7.117
   57   HG21  THR   7          HG21      THR   7  -1.293  10.082   5.954
   58   HG22  THR   7          HG22      THR   7  -0.831   8.515   5.290
   59   HG23  THR   7          HG23      THR   7  -1.188   9.862   4.207
   60    H    ASP   8           HN       ASP   8   2.321  11.483   3.071
   61    HA   ASP   8           HA       ASP   8   0.331  12.153   1.249
   62    HB2  ASP   8           HB2      ASP   8   3.218  12.956   1.413
   63    HB3  ASP   8           HB1      ASP   8   2.182  13.543   0.121
   64    H    ASP   9           HN       ASP   9   3.449  10.615   0.539
   65    HA   ASP   9           HA       ASP   9   2.730  10.326  -2.199
   66    HB2  ASP   9           HB2      ASP   9   5.108  10.444  -1.425
   67    HB3  ASP   9           HB1      ASP   9   4.924   8.810  -0.784
   68    H    LEU  10           HN       LEU  10   2.402   8.312   0.607
   69    HA   LEU  10           HA       LEU  10   1.804   5.926  -0.789
   70    HB2  LEU  10           HB2      LEU  10   2.466   6.026   1.592
   71    HB3  LEU  10           HB1      LEU  10   0.918   6.748   1.976
   72    HG   LEU  10           HG       LEU  10  -0.175   4.668   1.114
   73   HD11  LEU  10          HD11      LEU  10   2.648   3.619   1.083
   74   HD12  LEU  10          HD12      LEU  10   1.603   3.866  -0.315
   75   HD13  LEU  10          HD13      LEU  10   1.185   2.653   0.895
   76   HD21  LEU  10          HD21      LEU  10   0.335   3.330   3.092
   77   HD22  LEU  10          HD22      LEU  10   0.141   5.036   3.493
   78   HD23  LEU  10          HD23      LEU  10   1.753   4.329   3.402
   79    H    ARG  11           HN       ARG  11  -0.087   8.711   0.062
   80    HA   ARG  11           HA       ARG  11  -2.705   7.834  -0.108
   81    HB2  ARG  11           HB2      ARG  11  -1.530  10.446  -1.057
   82    HB3  ARG  11           HB1      ARG  11  -3.256  10.132  -1.019
   83    HG2  ARG  11           HG2      ARG  11  -3.237   9.908   1.332
   84    HG3  ARG  11           HG1      ARG  11  -1.468   9.979   1.392
   85    HD2  ARG  11           HD2      ARG  11  -1.582  12.278   0.504
   86    HD3  ARG  11           HD1      ARG  11  -3.345  12.185   0.539
   87    HE   ARG  11           HE       ARG  11  -2.669  11.576   3.072
   88   HH11  ARG  11          HH11      ARG  11  -1.689  14.319   1.001
   89   HH12  ARG  11          HH12      ARG  11  -1.546  15.375   2.316
   90   HH21  ARG  11          HH21      ARG  11  -2.463  13.110   4.837
   91   HH22  ARG  11          HH22      ARG  11  -1.989  14.712   4.479
   92    H    ARG  12           HN       ARG  12  -0.745   9.045  -2.783
   93    HA   ARG  12           HA       ARG  12  -2.657   8.596  -4.771
   94    HB2  ARG  12           HB2      ARG  12  -0.822   8.819  -6.404
   95    HB3  ARG  12           HB1      ARG  12  -0.836  10.090  -5.187
   96    HG2  ARG  12           HG2      ARG  12   0.968   8.901  -3.984
   97    HG3  ARG  12           HG1      ARG  12   1.011   7.713  -5.285
   98    HD2  ARG  12           HD2      ARG  12   2.758   9.485  -5.451
   99    HD3  ARG  12           HD1      ARG  12   1.702   9.378  -6.862
  100    HE   ARG  12           HE       ARG  12   0.520  11.302  -6.040
  101   HH11  ARG  12          HH11      ARG  12   3.750  10.849  -4.467
  102   HH12  ARG  12          HH12      ARG  12   3.832  12.521  -4.146
  103   HH21  ARG  12          HH21      ARG  12   0.739  13.419  -5.463
  104   HH22  ARG  12          HH22      ARG  12   2.167  13.986  -4.677
  105    H    ALA  13           HN       ALA  13  -0.379   6.406  -3.340
  106    HA   ALA  13           HA       ALA  13  -0.501   4.413  -5.362
  107    HB1  ALA  13           HB1      ALA  13   1.297   4.505  -3.711
  108    HB2  ALA  13           HB2      ALA  13   0.479   2.944  -3.691
  109    HB3  ALA  13           HB3      ALA  13   0.137   4.137  -2.436
  110    H    LEU  14           HN       LEU  14  -2.032   4.657  -2.193
  111    HA   LEU  14           HA       LEU  14  -3.685   2.378  -2.464
  112    HB2  LEU  14           HB2      LEU  14  -3.668   4.730  -0.618
  113    HB3  LEU  14           HB1      LEU  14  -5.065   3.686  -0.642
  114    HG   LEU  14           HG       LEU  14  -3.580   3.157   1.198
  115   HD11  LEU  14          HD11      LEU  14  -3.341   0.768   0.850
  116   HD12  LEU  14          HD12      LEU  14  -3.629   0.998  -0.876
  117   HD13  LEU  14          HD13      LEU  14  -4.899   1.376   0.288
  118   HD21  LEU  14          HD21      LEU  14  -1.453   3.833   0.257
  119   HD22  LEU  14          HD22      LEU  14  -1.526   2.504  -0.900
  120   HD23  LEU  14          HD23      LEU  14  -1.378   2.166   0.825
  121    H    VAL  15           HN       VAL  15  -4.394   5.815  -2.762
  122    HA   VAL  15           HA       VAL  15  -7.092   5.480  -3.300
  123    HB   VAL  15           HB       VAL  15  -5.262   7.855  -3.807
  124   HG11  VAL  15          HG11      VAL  15  -7.133   7.950  -5.380
  125   HG12  VAL  15          HG12      VAL  15  -7.278   9.182  -4.122
  126   HG13  VAL  15          HG13      VAL  15  -8.265   7.720  -4.048
  127   HG21  VAL  15          HG21      VAL  15  -7.374   7.289  -1.752
  128   HG22  VAL  15          HG22      VAL  15  -6.401   8.765  -1.895
  129   HG23  VAL  15          HG23      VAL  15  -5.627   7.236  -1.502
  130    H    GLU  16           HN       GLU  16  -4.376   5.486  -5.509
  131    HA   GLU  16           HA       GLU  16  -5.618   5.715  -7.998
  132    HB2  GLU  16           HB2      GLU  16  -3.111   5.501  -7.318
  133    HB3  GLU  16           HB1      GLU  16  -3.376   3.776  -7.401
  134    HG2  GLU  16           HG2      GLU  16  -3.722   5.695  -9.703
  135    HG3  GLU  16           HG1      GLU  16  -2.269   4.769  -9.378
  136    H    SER  17           HN       SER  17  -4.886   2.786  -6.113
  137    HA   SER  17           HA       SER  17  -6.221   1.016  -7.866
  138    HB2  SER  17           HB2      SER  17  -5.776  -0.626  -5.926
  139    HB3  SER  17           HB1      SER  17  -4.419   0.166  -6.686
  140    HG   SER  17           HG       SER  17  -5.450   1.599  -4.554
  141    H    ALA  18           HN       ALA  18  -7.401   3.029  -5.388
  142    HA   ALA  18           HA       ALA  18  -9.710   1.361  -4.835
  143    HB1  ALA  18           HB1      ALA  18  -8.711   2.666  -3.012
  144    HB2  ALA  18           HB2      ALA  18 -10.382   3.158  -3.307
  145    HB3  ALA  18           HB3      ALA  18  -9.052   4.157  -3.892
  146    H    GLY  19           HN       GLY  19  -8.897   4.338  -6.511
  147    HA2  GLY  19           HA2      GLY  19 -10.783   4.057  -8.522
  148    HA3  GLY  19           HA1      GLY  19 -11.498   5.077  -7.273
  149    H    GLU  20           HN       GLU  20  -9.719   6.622  -6.362
  150    HA   GLU  20           HA       GLU  20  -8.566   8.492  -6.596
  151    HB2  GLU  20           HB2      GLU  20  -6.809   7.101  -7.632
  152    HB3  GLU  20           HB1      GLU  20  -7.558   7.306  -9.204
  153    HG2  GLU  20           HG2      GLU  20  -6.985   9.615  -9.246
  154    HG3  GLU  20           HG1      GLU  20  -6.445   9.567  -7.567
  155    H    THR  21           HN       THR  21 -10.180   9.753  -6.549
  156    HA   THR  21           HA       THR  21 -11.586  11.408  -7.105
  157    HB   THR  21           HB       THR  21 -10.539  11.334  -9.970
  158    HG1  THR  21           HG1      THR  21  -9.337  12.070  -7.581
  159   HG21  THR  21          HG21      THR  21 -12.495  12.783  -9.524
  160   HG22  THR  21          HG22      THR  21 -11.064  13.741  -9.903
  161   HG23  THR  21          HG23      THR  21 -11.600  13.581  -8.231
  162    H    ASP  22           HN       ASP  22 -12.509   9.123  -6.859
  163    HA   ASP  22           HA       ASP  22 -14.355   8.522  -9.098
  164    HB2  ASP  22           HB2      ASP  22 -12.777   6.749  -8.915
  165    HB3  ASP  22           HB1      ASP  22 -12.903   6.718  -7.169
  166    H    GLY  23           HN       GLY  23 -13.817   8.741  -5.660
  167    HA2  GLY  23           HA2      GLY  23 -15.768   9.506  -4.335
  168    HA3  GLY  23           HA1      GLY  23 -16.670   8.225  -5.163
  169    H    THR  24           HN       THR  24 -14.633   6.369  -5.346
  170    HA   THR  24           HA       THR  24 -14.429   5.371  -2.655
  171    HB   THR  24           HB       THR  24 -13.091   4.255  -5.144
  172    HG1  THR  24           HG1      THR  24 -15.141   4.414  -5.788
  173   HG21  THR  24          HG21      THR  24 -14.227   2.939  -2.660
  174   HG22  THR  24          HG22      THR  24 -12.513   3.216  -2.979
  175   HG23  THR  24          HG23      THR  24 -13.430   2.103  -3.993
  176    H    ASP  25           HN       ASP  25 -13.293   7.433  -2.166
  177    HA   ASP  25           HA       ASP  25 -10.434   7.308  -2.775
  178    HB2  ASP  25           HB2      ASP  25 -12.248   9.703  -2.578
  179    HB3  ASP  25           HB1      ASP  25 -10.511   9.836  -2.379
  180    H    LEU  26           HN       LEU  26  -9.152   7.452  -1.151
  181    HA   LEU  26           HA       LEU  26 -10.211   7.391   1.565
  182    HB2  LEU  26           HB2      LEU  26  -7.349   7.251   0.617
  183    HB3  LEU  26           HB1      LEU  26  -7.987   6.709   2.160
  184    HG   LEU  26           HG       LEU  26  -8.623   5.460  -0.511
  185   HD11  LEU  26          HD11      LEU  26  -6.818   4.523   1.690
  186   HD12  LEU  26          HD12      LEU  26  -6.330   5.086   0.092
  187   HD13  LEU  26          HD13      LEU  26  -7.265   3.600   0.257
  188   HD21  LEU  26          HD21      LEU  26  -9.301   4.587   2.287
  189   HD22  LEU  26          HD22      LEU  26  -9.618   3.671   0.813
  190   HD23  LEU  26          HD23      LEU  26 -10.434   5.213   1.087
  191    H    SER  27           HN       SER  27  -7.730   9.034  -0.250
  192    HA   SER  27           HA       SER  27  -7.148  11.194  -0.586
  193    HB2  SER  27           HB2      SER  27  -9.617  11.797   0.914
  194    HB3  SER  27           HB1      SER  27  -8.707  12.949  -0.076
  195    HG   SER  27           HG       SER  27 -10.652  11.498  -0.846
  196    H    GLY  28           HN       GLY  28  -6.295   9.796   1.894
  197    HA2  GLY  28           HA2      GLY  28  -4.546  11.410   3.031
  198    HA3  GLY  28           HA1      GLY  28  -6.015  12.109   3.690
  199    H    ASP  29           HN       ASP  29  -7.396  10.651   4.944
  200    HA   ASP  29           HA       ASP  29  -5.648   9.027   6.584
  201    HB2  ASP  29           HB2      ASP  29  -7.364   8.967   8.314
  202    HB3  ASP  29           HB1      ASP  29  -7.111  10.620   7.802
  203    H    PHE  30           HN       PHE  30  -5.416   7.130   6.373
  204    HA   PHE  30           HA       PHE  30  -7.421   5.187   5.828
  205    HB2  PHE  30           HB2      PHE  30  -6.652   4.400   3.580
  206    HB3  PHE  30           HB1      PHE  30  -7.102   6.081   3.526
  207    HD1  PHE  30           HD1      PHE  30  -4.237   3.773   3.478
  208    HD2  PHE  30           HD2      PHE  30  -5.555   7.778   3.024
  209    HE1  PHE  30           HE1      PHE  30  -2.067   4.370   2.501
  210    HE2  PHE  30           HE2      PHE  30  -3.385   8.380   2.043
  211    HZ   PHE  30           HZ       PHE  30  -1.638   6.680   1.785
  212    H    LEU  31           HN       LEU  31  -4.153   6.192   6.075
  213    HA   LEU  31           HA       LEU  31  -2.594   3.980   6.087
  214    HB2  LEU  31           HB2      LEU  31  -1.868   6.303   6.117
  215    HB3  LEU  31           HB1      LEU  31  -2.375   6.451   7.782
  216    HG   LEU  31           HG       LEU  31  -0.602   4.876   8.438
  217   HD11  LEU  31          HD11      LEU  31   0.151   5.010   5.523
  218   HD12  LEU  31          HD12      LEU  31  -0.488   3.593   6.361
  219   HD13  LEU  31          HD13      LEU  31   1.091   4.241   6.803
  220   HD21  LEU  31          HD21      LEU  31   0.312   7.185   6.739
  221   HD22  LEU  31          HD22      LEU  31   1.251   6.380   7.996
  222   HD23  LEU  31          HD23      LEU  31  -0.207   7.273   8.423
  223    H    ASP  32           HN       ASP  32  -4.560   5.162   8.744
  224    HA   ASP  32           HA       ASP  32  -3.483   3.071  10.505
  225    HB2  ASP  32           HB2      ASP  32  -3.668   5.428  11.298
  226    HB3  ASP  32           HB1      ASP  32  -5.417   5.290  11.168
  227    H    LEU  33           HN       LEU  33  -6.041   3.491   8.416
  228    HA   LEU  33           HA       LEU  33  -7.944   1.905   9.937
  229    HB2  LEU  33           HB2      LEU  33  -8.165   3.194   7.202
  230    HB3  LEU  33           HB1      LEU  33  -9.426   2.240   7.941
  231    HG   LEU  33           HG       LEU  33  -9.526   3.986   9.777
  232   HD11  LEU  33          HD11      LEU  33  -8.668   6.216   9.291
  233   HD12  LEU  33          HD12      LEU  33  -7.855   5.594   7.857
  234   HD13  LEU  33          HD13      LEU  33  -7.362   5.039   9.458
  235   HD21  LEU  33          HD21      LEU  33 -11.188   3.867   8.017
  236   HD22  LEU  33          HD22      LEU  33 -10.168   4.852   6.966
  237   HD23  LEU  33          HD23      LEU  33 -10.849   5.548   8.435
  238    H    ARG  34           HN       ARG  34  -8.457  -0.206   9.370
  239    HA   ARG  34           HA       ARG  34  -6.365  -1.570   7.965
  240    HB2  ARG  34           HB2      ARG  34  -7.802  -2.387  10.010
  241    HB3  ARG  34           HB1      ARG  34  -8.979  -2.856   8.796
  242    HG2  ARG  34           HG2      ARG  34  -6.133  -3.844   8.766
  243    HG3  ARG  34           HG1      ARG  34  -7.412  -4.656   9.658
  244    HD2  ARG  34           HD2      ARG  34  -8.336  -5.516   7.775
  245    HD3  ARG  34           HD1      ARG  34  -7.969  -4.078   6.815
  246    HE   ARG  34           HE       ARG  34  -5.561  -5.039   7.208
  247   HH11  ARG  34          HH11      ARG  34  -8.416  -6.996   6.339
  248   HH12  ARG  34          HH12      ARG  34  -7.540  -7.902   5.200
  249   HH21  ARG  34          HH21      ARG  34  -4.406  -6.405   5.637
  250   HH22  ARG  34          HH22      ARG  34  -5.241  -7.577   4.799
  251    H    PHE  35           HN       PHE  35  -6.492  -2.610   5.967
  252    HA   PHE  35           HA       PHE  35  -7.523  -1.248   3.876
  253    HB2  PHE  35           HB2      PHE  35  -6.861  -4.172   3.996
  254    HB3  PHE  35           HB1      PHE  35  -7.211  -3.330   2.495
  255    HD1  PHE  35           HD2      PHE  35  -5.732  -1.413   1.823
  256    HD2  PHE  35           HD1      PHE  35  -4.750  -4.094   4.973
  257    HE1  PHE  35           HE2      PHE  35  -3.373  -0.748   1.651
  258    HE2  PHE  35           HE1      PHE  35  -2.393  -3.433   4.807
  259    HZ   PHE  35           HZ       PHE  35  -1.701  -1.759   3.140
  260    H    GLU  36           HN       GLU  36  -9.155  -4.104   5.237
  261    HA   GLU  36           HA       GLU  36 -11.289  -4.146   3.457
  262    HB2  GLU  36           HB2      GLU  36 -11.162  -5.055   6.327
  263    HB3  GLU  36           HB1      GLU  36 -12.482  -5.442   5.220
  264    HG2  GLU  36           HG2      GLU  36 -11.036  -6.680   3.801
  265    HG3  GLU  36           HG1      GLU  36  -9.609  -6.116   4.662
  266    H    ASP  37           HN       ASP  37 -10.756  -2.034   6.201
  267    HA   ASP  37           HA       ASP  37 -13.498  -1.114   6.262
  268    HB2  ASP  37           HB2      ASP  37 -11.022  -0.142   7.705
  269    HB3  ASP  37           HB1      ASP  37 -12.609   0.580   7.893
  270    H    ILE  38           HN       ILE  38 -10.648  -0.424   4.546
  271    HA   ILE  38           HA       ILE  38 -11.771   2.146   3.822
  272    HB   ILE  38           HB       ILE  38  -9.567   2.629   2.640
  273   HG12  ILE  38          HG12      ILE  38  -8.606   0.321   4.348
  274   HG13  ILE  38          HG11      ILE  38  -8.737   0.290   2.600
  275   HG21  ILE  38          HG21      ILE  38 -10.179   3.702   4.694
  276   HG22  ILE  38          HG22      ILE  38  -8.455   3.329   4.703
  277   HG23  ILE  38          HG23      ILE  38  -9.577   2.333   5.627
  278   HD11  ILE  38          HD11      ILE  38  -7.029   2.065   2.470
  279   HD12  ILE  38          HD12      ILE  38  -6.451   0.599   3.247
  280   HD13  ILE  38          HD13      ILE  38  -6.868   2.009   4.231
  281    H    GLY  39           HN       GLY  39 -12.245  -0.763   2.836
  282    HA2  GLY  39           HA2      GLY  39 -13.729  -1.099   1.031
  283    HA3  GLY  39           HA1      GLY  39 -12.988   0.257   0.203
  284    H    TYR  40           HN       TYR  40 -10.746  -1.985   1.542
  285    HA   TYR  40           HA       TYR  40 -10.306  -2.874  -1.190
  286    HB2  TYR  40           HB2      TYR  40  -8.256  -3.070   1.085
  287    HB3  TYR  40           HB1      TYR  40  -8.077  -3.524  -0.568
  288    HD1  TYR  40           HD2      TYR  40  -9.427  -0.422   0.986
  289    HD2  TYR  40           HD1      TYR  40  -6.671  -2.154  -1.715
  290    HE1  TYR  40           HE2      TYR  40  -8.704   1.808   0.317
  291    HE2  TYR  40           HE1      TYR  40  -5.939   0.084  -2.401
  292    HH   TYR  40           HH       TYR  40  -6.735   2.336  -2.395
  293    H    ASP  41           HN       ASP  41 -10.620  -4.763  -1.829
  294    HA   ASP  41           HA       ASP  41 -11.753  -6.698  -0.038
  295    HB2  ASP  41           HB2      ASP  41 -12.087  -7.944  -2.279
  296    HB3  ASP  41           HB1      ASP  41 -13.024  -6.490  -1.983
  297    H    SER  42           HN       SER  42  -9.263  -6.604  -2.443
  298    HA   SER  42           HA       SER  42  -7.226  -7.954  -1.096
  299    HB2  SER  42           HB2      SER  42  -7.385 -10.142  -2.372
  300    HB3  SER  42           HB1      SER  42  -8.645  -9.930  -1.144
  301    H    LEU  43           HN       LEU  43  -8.917  -7.860  -4.168
  302    HA   LEU  43           HA       LEU  43  -6.666  -7.708  -5.865
  303    HB2  LEU  43           HB2      LEU  43  -9.026  -8.399  -6.496
  304    HB3  LEU  43           HB1      LEU  43  -9.482  -6.719  -6.398
  305    HG   LEU  43           HG       LEU  43  -9.218  -7.547  -8.714
  306   HD11  LEU  43          HD11      LEU  43  -7.856  -5.736  -9.627
  307   HD12  LEU  43          HD12      LEU  43  -7.225  -5.396  -8.022
  308   HD13  LEU  43          HD13      LEU  43  -8.942  -5.172  -8.360
  309   HD21  LEU  43          HD21      LEU  43  -7.448  -9.158  -8.362
  310   HD22  LEU  43          HD22      LEU  43  -6.309  -7.864  -7.994
  311   HD23  LEU  43          HD23      LEU  43  -6.986  -8.009  -9.616
  312    H    ALA  44           HN       ALA  44  -8.801  -5.302  -4.421
  313    HA   ALA  44           HA       ALA  44  -7.616  -3.079  -5.625
  314    HB1  ALA  44           HB1      ALA  44  -8.916  -3.193  -2.903
  315    HB2  ALA  44           HB2      ALA  44  -9.758  -2.971  -4.440
  316    HB3  ALA  44           HB3      ALA  44  -8.627  -1.744  -3.869
  317    H    LEU  45           HN       LEU  45  -6.714  -4.799  -2.649
  318    HA   LEU  45           HA       LEU  45  -4.722  -2.937  -1.821
  319    HB2  LEU  45           HB2      LEU  45  -5.852  -4.778  -0.408
  320    HB3  LEU  45           HB1      LEU  45  -4.752  -5.898  -1.172
  321    HG   LEU  45           HG       LEU  45  -3.932  -3.595   0.645
  322   HD11  LEU  45          HD11      LEU  45  -3.352  -5.306   2.222
  323   HD12  LEU  45          HD12      LEU  45  -4.036  -6.549   1.163
  324   HD13  LEU  45          HD13      LEU  45  -5.081  -5.306   1.873
  325   HD21  LEU  45          HD21      LEU  45  -2.257  -5.857  -0.468
  326   HD22  LEU  45          HD22      LEU  45  -1.713  -4.639   0.689
  327   HD23  LEU  45          HD23      LEU  45  -2.144  -4.167  -0.956
  328    H    MET  46           HN       MET  46  -4.657  -5.855  -3.723
  329    HA   MET  46           HA       MET  46  -1.806  -5.888  -4.033
  330    HB2  MET  46           HB2      MET  46  -2.018  -7.618  -5.701
  331    HB3  MET  46           HB1      MET  46  -3.192  -7.931  -4.439
  332    HG2  MET  46           HG2      MET  46  -4.447  -8.359  -6.329
  333    HG3  MET  46           HG1      MET  46  -4.771  -6.650  -5.977
  334    HE1  MET  46           HE1      MET  46  -1.788  -7.932  -9.275
  335    HE2  MET  46           HE2      MET  46  -2.618  -9.094  -8.238
  336    HE3  MET  46           HE3      MET  46  -1.430  -7.988  -7.548
  337    H    GLU  47           HN       GLU  47  -4.347  -4.343  -5.808
  338    HA   GLU  47           HA       GLU  47  -2.852  -3.548  -8.053
  339    HB2  GLU  47           HB2      GLU  47  -5.353  -3.571  -7.812
  340    HB3  GLU  47           HB1      GLU  47  -5.219  -2.181  -6.754
  341    HG2  GLU  47           HG2      GLU  47  -5.874  -1.438  -8.909
  342    HG3  GLU  47           HG1      GLU  47  -4.214  -0.924  -8.628
  343    H    THR  48           HN       THR  48  -3.306  -2.224  -4.808
  344    HA   THR  48           HA       THR  48  -2.014   0.250  -5.046
  345    HB   THR  48           HB       THR  48  -1.964  -1.673  -2.710
  346    HG1  THR  48           HG1      THR  48  -3.999  -0.073  -3.756
  347   HG21  THR  48          HG21      THR  48  -1.787   0.372  -1.359
  348   HG22  THR  48          HG22      THR  48  -1.753   1.334  -2.838
  349   HG23  THR  48          HG23      THR  48  -0.441   0.209  -2.484
  350    H    ALA  49           HN       ALA  49  -0.855  -2.917  -3.958
  351    HA   ALA  49           HA       ALA  49   1.822  -2.308  -3.539
  352    HB1  ALA  49           HB1      ALA  49   0.761  -4.358  -2.711
  353    HB2  ALA  49           HB2      ALA  49   2.231  -4.701  -3.640
  354    HB3  ALA  49           HB3      ALA  49   0.650  -4.955  -4.372
  355    H    ALA  50           HN       ALA  50   0.279  -3.759  -6.382
  356    HA   ALA  50           HA       ALA  50   2.499  -4.129  -7.978
  357    HB1  ALA  50           HB1      ALA  50  -0.276  -3.375  -8.890
  358    HB2  ALA  50           HB2      ALA  50   0.272  -5.003  -8.492
  359    HB3  ALA  50           HB3      ALA  50   0.968  -4.150  -9.872
  360    H    ARG  51           HN       ARG  51   0.607  -1.212  -7.512
  361    HA   ARG  51           HA       ARG  51   1.805   0.394  -9.529
  362    HB2  ARG  51           HB2      ARG  51  -0.291   0.994  -8.305
  363    HB3  ARG  51           HB1      ARG  51   0.648   1.220  -6.847
  364    HG2  ARG  51           HG2      ARG  51   0.389   3.387  -7.526
  365    HG3  ARG  51           HG1      ARG  51   1.918   2.997  -8.305
  366    HD2  ARG  51           HD2      ARG  51  -0.796   2.890  -9.633
  367    HD3  ARG  51           HD1      ARG  51   0.336   4.226  -9.766
  368    HE   ARG  51           HE       ARG  51   1.846   2.319 -10.730
  369   HH11  ARG  51          HH11      ARG  51  -1.650   2.732 -11.292
  370   HH12  ARG  51          HH12      ARG  51  -1.580   2.191 -12.906
  371   HH21  ARG  51          HH21      ARG  51   1.878   1.489 -12.936
  372   HH22  ARG  51          HH22      ARG  51   0.436   1.440 -13.827
  373    H    LEU  52           HN       LEU  52   2.467   0.147  -6.038
  374    HA   LEU  52           HA       LEU  52   4.701   1.885  -6.227
  375    HB2  LEU  52           HB2      LEU  52   3.872   0.052  -4.007
  376    HB3  LEU  52           HB1      LEU  52   5.249   1.136  -3.909
  377    HG   LEU  52           HG       LEU  52   2.361   1.942  -4.245
  378   HD11  LEU  52          HD11      LEU  52   4.290   2.339  -1.976
  379   HD12  LEU  52          HD12      LEU  52   2.946   1.194  -2.005
  380   HD13  LEU  52          HD13      LEU  52   2.631   2.934  -2.045
  381   HD21  LEU  52          HD21      LEU  52   3.175   4.241  -4.065
  382   HD22  LEU  52          HD22      LEU  52   3.830   3.441  -5.492
  383   HD23  LEU  52          HD23      LEU  52   4.839   3.656  -4.061
  384    H    GLU  53           HN       GLU  53   4.444  -1.608  -6.271
  385    HA   GLU  53           HA       GLU  53   7.140  -2.178  -6.062
  386    HB2  GLU  53           HB2      GLU  53   4.980  -3.648  -7.559
  387    HB3  GLU  53           HB1      GLU  53   6.609  -4.274  -7.343
  388    HG2  GLU  53           HG2      GLU  53   6.249  -4.128  -4.872
  389    HG3  GLU  53           HG1      GLU  53   4.587  -3.679  -5.215
  390    H    SER  54           HN       SER  54   5.184  -1.665  -8.963
  391    HA   SER  54           HA       SER  54   7.308  -1.844 -10.803
  392    HB2  SER  54           HB2      SER  54   5.646  -0.719 -12.362
  393    HB3  SER  54           HB1      SER  54   5.002  -2.129 -11.513
  394    HG   SER  54           HG       SER  54   3.716  -0.960 -10.444
  395    H    ARG  55           HN       ARG  55   5.839   0.853  -9.138
  396    HA   ARG  55           HA       ARG  55   7.152   2.954 -10.449
  397    HB2  ARG  55           HB2      ARG  55   5.068   3.132  -9.151
  398    HB3  ARG  55           HB1      ARG  55   5.981   2.889  -7.678
  399    HG2  ARG  55           HG2      ARG  55   7.133   5.006  -8.040
  400    HG3  ARG  55           HG1      ARG  55   6.249   5.229  -9.555
  401    HD2  ARG  55           HD2      ARG  55   4.131   5.187  -8.343
  402    HD3  ARG  55           HD1      ARG  55   4.993   4.931  -6.830
  403    HE   ARG  55           HE       ARG  55   5.430   7.324  -8.450
  404   HH11  ARG  55          HH11      ARG  55   4.115   5.872  -5.513
  405   HH12  ARG  55          HH12      ARG  55   4.348   7.255  -4.526
  406   HH21  ARG  55          HH21      ARG  55   5.574   9.346  -7.080
  407   HH22  ARG  55          HH22      ARG  55   5.098   9.204  -5.438
  408    H    TYR  56           HN       TYR  56   7.960   1.358  -7.347
  409    HA   TYR  56           HA       TYR  56  10.399   2.971  -7.321
  410    HB2  TYR  56           HB2      TYR  56   9.030   1.518  -5.067
  411    HB3  TYR  56           HB1      TYR  56  10.618   2.253  -4.931
  412    HD1  TYR  56           HD2      TYR  56  10.890   4.688  -5.259
  413    HD2  TYR  56           HD1      TYR  56   7.058   2.878  -4.972
  414    HE1  TYR  56           HE2      TYR  56   9.901   6.883  -4.811
  415    HE2  TYR  56           HE1      TYR  56   6.050   5.071  -4.522
  416    HH   TYR  56           HH       TYR  56   6.617   7.314  -3.777
  417    H    GLY  57           HN       GLY  57   9.652   0.035  -8.441
  418    HA2  GLY  57           HA2      GLY  57  11.066  -1.617  -9.184
  419    HA3  GLY  57           HA1      GLY  57  12.411  -0.680  -8.553
  420    H    VAL  58           HN       VAL  58   9.722  -1.728  -6.608
  421    HA   VAL  58           HA       VAL  58  11.577  -3.485  -5.194
  422    HB   VAL  58           HB       VAL  58  10.155  -3.275  -3.176
  423   HG11  VAL  58          HG11      VAL  58  11.052  -0.630  -4.301
  424   HG12  VAL  58          HG12      VAL  58  12.047  -1.787  -3.417
  425   HG13  VAL  58          HG13      VAL  58  10.722  -0.963  -2.601
  426   HG21  VAL  58          HG21      VAL  58   8.599  -1.242  -4.787
  427   HG22  VAL  58          HG22      VAL  58   8.400  -1.555  -3.062
  428   HG23  VAL  58          HG23      VAL  58   8.003  -2.812  -4.233
  429    H    SER  59           HN       SER  59  10.297  -5.262  -3.935
  430    HA   SER  59           HA       SER  59   8.157  -6.344  -5.583
  431    HB2  SER  59           HB2      SER  59  10.724  -7.809  -4.935
  432    HB3  SER  59           HB1      SER  59   9.286  -8.568  -5.625
  433    HG   SER  59           HG       SER  59   9.471  -6.939  -7.307
  434    H    ILE  60           HN       ILE  60   6.586  -6.905  -4.378
  435    HA   ILE  60           HA       ILE  60   6.999  -7.464  -1.529
  436    HB   ILE  60           HB       ILE  60   4.517  -6.645  -3.060
  437   HG12  ILE  60          HG12      ILE  60   6.157  -5.164  -0.995
  438   HG13  ILE  60          HG11      ILE  60   6.134  -4.841  -2.726
  439   HG21  ILE  60          HG21      ILE  60   4.804  -7.185  -0.103
  440   HG22  ILE  60          HG22      ILE  60   3.893  -8.155  -1.256
  441   HG23  ILE  60          HG23      ILE  60   3.377  -6.506  -0.890
  442   HD11  ILE  60          HD11      ILE  60   3.786  -4.224  -2.578
  443   HD12  ILE  60          HD12      ILE  60   4.804  -3.247  -1.513
  444   HD13  ILE  60          HD13      ILE  60   3.817  -4.544  -0.839
  445    HA   PRO  61           HA       PRO  61   6.084 -11.780  -2.448
  446    HB2  PRO  61           HB2      PRO  61   5.595 -11.751   0.487
  447    HB3  PRO  61           HB1      PRO  61   6.649 -12.812  -0.467
  448    HG2  PRO  61           HG2      PRO  61   7.676 -10.915   1.070
  449    HG3  PRO  61           HG1      PRO  61   8.360 -11.245  -0.533
  450    HD2  PRO  61           HD2      PRO  61   6.541  -9.037   0.336
  451    HD3  PRO  61           HD1      PRO  61   7.948  -8.978  -0.751
  452    H    ASP  62           HN       ASP  62   4.140 -12.606  -2.956
  453    HA   ASP  62           HA       ASP  62   1.668 -11.324  -2.567
  454    HB2  ASP  62           HB2      ASP  62   2.128 -14.279  -3.080
  455    HB3  ASP  62           HB1      ASP  62   0.599 -13.435  -3.262
  456    H    ASP  63           HN       ASP  63   3.371 -13.652  -0.680
  457    HA   ASP  63           HA       ASP  63   1.231 -14.444   1.036
  458    HB2  ASP  63           HB2      ASP  63   4.179 -14.416   1.712
  459    HB3  ASP  63           HB1      ASP  63   2.925 -15.343   2.514
  460    H    VAL  64           HN       VAL  64   3.653 -11.918   1.082
  461    HA   VAL  64           HA       VAL  64   2.890 -11.154   3.720
  462    HB   VAL  64           HB       VAL  64   4.824  -9.716   1.861
  463   HG11  VAL  64          HG11      VAL  64   5.629  -8.592   3.886
  464   HG12  VAL  64          HG12      VAL  64   4.376  -9.395   4.833
  465   HG13  VAL  64          HG13      VAL  64   3.928  -8.226   3.591
  466   HG21  VAL  64          HG21      VAL  64   5.576 -11.964   2.419
  467   HG22  VAL  64          HG22      VAL  64   5.336 -11.632   4.135
  468   HG23  VAL  64          HG23      VAL  64   6.573 -10.756   3.231
  469    H    ALA  65           HN       ALA  65   2.124 -10.178   0.468
  470    HA   ALA  65           HA       ALA  65   0.794  -7.767   1.085
  471    HB1  ALA  65           HB1      ALA  65  -0.377  -8.035  -1.048
  472    HB2  ALA  65           HB2      ALA  65   0.149  -9.712  -1.149
  473    HB3  ALA  65           HB3      ALA  65   1.335  -8.402  -1.226
  474    H    GLY  66           HN       GLY  66  -0.127 -11.088   1.461
  475    HA2  GLY  66           HA2      GLY  66  -2.840 -10.355   2.249
  476    HA3  GLY  66           HA1      GLY  66  -2.195 -11.989   2.131
  477    H    ARG  67           HN       ARG  67   0.081 -10.278   3.644
  478    HA   ARG  67           HA       ARG  67  -0.738 -11.241   6.290
  479    HB2  ARG  67           HB2      ARG  67   1.359 -12.099   5.318
  480    HB3  ARG  67           HB1      ARG  67   1.984 -10.472   5.192
  481    HG2  ARG  67           HG2      ARG  67   1.909 -10.319   7.671
  482    HG3  ARG  67           HG1      ARG  67   1.390 -12.010   7.712
  483    HD2  ARG  67           HD2      ARG  67   3.430 -12.661   6.520
  484    HD3  ARG  67           HD1      ARG  67   3.950 -10.979   6.501
  485    HE   ARG  67           HE       ARG  67   3.407 -12.072   9.115
  486   HH11  ARG  67          HH11      ARG  67   5.898 -11.654   6.634
  487   HH12  ARG  67          HH12      ARG  67   7.221 -11.687   7.708
  488   HH21  ARG  67          HH21      ARG  67   5.203 -12.189  10.619
  489   HH22  ARG  67          HH22      ARG  67   6.795 -12.016  10.059
  490    H    VAL  68           HN       VAL  68  -0.143  -8.393   4.460
  491    HA   VAL  68           HA       VAL  68   0.442  -6.690   6.676
  492    HB   VAL  68           HB       VAL  68   0.187  -4.799   4.994
  493   HG11  VAL  68          HG11      VAL  68   2.343  -5.779   5.498
  494   HG12  VAL  68          HG12      VAL  68   2.238  -5.347   3.790
  495   HG13  VAL  68          HG13      VAL  68   2.078  -7.031   4.285
  496   HG21  VAL  68          HG21      VAL  68  -0.148  -7.083   3.048
  497   HG22  VAL  68          HG22      VAL  68   0.089  -5.388   2.621
  498   HG23  VAL  68          HG23      VAL  68  -1.379  -5.891   3.460
  499    H    ASP  69           HN       ASP  69  -0.842  -6.014   8.012
  500    HA   ASP  69           HA       ASP  69  -3.713  -6.293   7.668
  501    HB2  ASP  69           HB2      ASP  69  -2.524  -6.989   9.740
  502    HB3  ASP  69           HB1      ASP  69  -2.149  -5.304  10.039
  503    H    THR  70           HN       THR  70  -1.564  -3.643   8.699
  504    HA   THR  70           HA       THR  70  -3.702  -1.811   7.936
  505    HB   THR  70           HB       THR  70  -2.316  -0.159   9.262
  506    HG1  THR  70           HG1      THR  70  -1.104  -2.116  10.729
  507   HG21  THR  70          HG21      THR  70  -3.359  -2.606  10.691
  508   HG22  THR  70          HG22      THR  70  -4.322  -1.213  10.192
  509   HG23  THR  70          HG23      THR  70  -3.084  -1.033  11.441
  510    HA   PRO  71           HA       PRO  71  -1.263  -0.197   4.534
  511    HB2  PRO  71           HB2      PRO  71  -2.113   2.480   5.544
  512    HB3  PRO  71           HB1      PRO  71  -2.263   1.798   3.916
  513    HG2  PRO  71           HG2      PRO  71  -4.390   1.986   5.467
  514    HG3  PRO  71           HG1      PRO  71  -4.132   0.537   4.474
  515    HD2  PRO  71           HD2      PRO  71  -3.662   0.932   7.406
  516    HD3  PRO  71           HD1      PRO  71  -4.372  -0.457   6.557
  517    H    ARG  72           HN       ARG  72  -1.146   1.236   7.742
  518    HA   ARG  72           HA       ARG  72   1.333   2.435   7.806
  519    HB2  ARG  72           HB2      ARG  72  -0.091   2.518   9.731
  520    HB3  ARG  72           HB1      ARG  72  -0.131   0.772   9.860
  521    HG2  ARG  72           HG2      ARG  72   1.217   1.791  11.619
  522    HG3  ARG  72           HG1      ARG  72   2.188   0.750  10.583
  523    HD2  ARG  72           HD2      ARG  72   3.394   2.775  11.094
  524    HD3  ARG  72           HD1      ARG  72   2.989   2.723   9.383
  525    HE   ARG  72           HE       ARG  72   1.059   4.138  10.922
  526   HH11  ARG  72          HH11      ARG  72   4.131   4.380   9.170
  527   HH12  ARG  72          HH12      ARG  72   4.161   6.077   9.132
  528   HH21  ARG  72          HH21      ARG  72   1.069   6.513  10.856
  529   HH22  ARG  72          HH22      ARG  72   2.381   7.318  10.132
  530    H    GLU  73           HN       GLU  73   0.597  -0.966   8.441
  531    HA   GLU  73           HA       GLU  73   3.254  -1.860   8.647
  532    HB2  GLU  73           HB2      GLU  73   1.322  -2.999   9.621
  533    HB3  GLU  73           HB1      GLU  73   0.707  -3.350   8.018
  534    HG2  GLU  73           HG2      GLU  73   2.557  -4.817   7.591
  535    HG3  GLU  73           HG1      GLU  73   3.297  -4.377   9.132
  536    H    LEU  74           HN       LEU  74   0.995  -1.734   5.953
  537    HA   LEU  74           HA       LEU  74   2.615  -3.113   4.077
  538    HB2  LEU  74           HB2      LEU  74   0.149  -2.799   3.862
  539    HB3  LEU  74           HB1      LEU  74   0.393  -1.094   3.607
  540    HG   LEU  74           HG       LEU  74  -0.219  -2.515   1.596
  541   HD11  LEU  74          HD11      LEU  74   1.279  -1.324   0.045
  542   HD12  LEU  74          HD12      LEU  74   2.313  -0.874   1.402
  543   HD13  LEU  74          HD13      LEU  74   0.662  -0.259   1.310
  544   HD21  LEU  74          HD21      LEU  74   1.222  -4.411   2.018
  545   HD22  LEU  74          HD22      LEU  74   2.654  -3.397   1.843
  546   HD23  LEU  74          HD23      LEU  74   1.608  -3.696   0.454
  547    H    LEU  75           HN       LEU  75   2.193   0.340   4.763
  548    HA   LEU  75           HA       LEU  75   3.997   1.446   2.960
  549    HB2  LEU  75           HB2      LEU  75   2.488   2.780   4.360
  550    HB3  LEU  75           HB1      LEU  75   3.361   2.287   5.796
  551    HG   LEU  75           HG       LEU  75   5.357   3.502   4.956
  552   HD11  LEU  75          HD11      LEU  75   5.112   5.082   3.124
  553   HD12  LEU  75          HD12      LEU  75   3.485   4.484   2.817
  554   HD13  LEU  75          HD13      LEU  75   4.872   3.419   2.582
  555   HD21  LEU  75          HD21      LEU  75   2.848   5.159   5.200
  556   HD22  LEU  75          HD22      LEU  75   4.498   5.746   5.409
  557   HD23  LEU  75          HD23      LEU  75   3.833   4.564   6.536
  558    H    ASP  76           HN       ASP  76   4.454   0.325   6.255
  559    HA   ASP  76           HA       ASP  76   7.185   0.786   6.554
  560    HB2  ASP  76           HB2      ASP  76   5.803   0.273   8.448
  561    HB3  ASP  76           HB1      ASP  76   5.409  -1.310   7.790
  562    H    LEU  77           HN       LEU  77   5.509  -1.963   5.184
  563    HA   LEU  77           HA       LEU  77   7.709  -3.681   4.857
  564    HB2  LEU  77           HB2      LEU  77   5.424  -4.455   4.624
  565    HB3  LEU  77           HB1      LEU  77   5.169  -3.400   3.254
  566    HG   LEU  77           HG       LEU  77   6.863  -4.725   1.993
  567   HD11  LEU  77          HD11      LEU  77   6.685  -6.579   4.356
  568   HD12  LEU  77          HD12      LEU  77   8.100  -5.652   3.858
  569   HD13  LEU  77          HD13      LEU  77   7.478  -6.935   2.822
  570   HD21  LEU  77          HD21      LEU  77   4.483  -6.230   3.055
  571   HD22  LEU  77          HD22      LEU  77   5.371  -6.618   1.581
  572   HD23  LEU  77          HD23      LEU  77   4.482  -5.099   1.703
  573    H    ILE  78           HN       ILE  78   6.253  -1.297   2.674
  574    HA   ILE  78           HA       ILE  78   8.260  -1.743   0.699
  575    HB   ILE  78           HB       ILE  78   6.215   0.502   0.868
  576   HG12  ILE  78          HG12      ILE  78   6.308  -2.099  -0.669
  577   HG13  ILE  78          HG11      ILE  78   5.207  -1.675   0.630
  578   HG21  ILE  78          HG21      ILE  78   6.721   0.938  -1.504
  579   HG22  ILE  78          HG22      ILE  78   8.007  -0.271  -1.451
  580   HG23  ILE  78          HG23      ILE  78   8.144   1.203  -0.490
  581   HD11  ILE  78          HD11      ILE  78   5.299  -0.451  -2.117
  582   HD12  ILE  78          HD12      ILE  78   4.195   0.033  -0.825
  583   HD13  ILE  78          HD13      ILE  78   4.104  -1.591  -1.512
  584    H    ASN  79           HN       ASN  79   7.918   0.411   3.365
  585    HA   ASN  79           HA       ASN  79  10.052   2.163   2.733
  586    HB2  ASN  79           HB2      ASN  79   8.738   1.386   5.331
  587    HB3  ASN  79           HB1      ASN  79  10.197   2.361   5.350
  588   HD21  ASN  79          HD21      ASN  79   7.830   2.702   2.802
  589   HD22  ASN  79          HD22      ASN  79   7.240   4.249   3.337
  590    H    GLY  80           HN       GLY  80   9.932  -0.872   4.520
  591    HA2  GLY  80           HA2      GLY  80  12.696  -1.061   5.037
  592    HA3  GLY  80           HA1      GLY  80  11.555  -2.401   5.019
  593    H    ALA  81           HN       ALA  81  10.709  -1.964   2.312
  594    HA   ALA  81           HA       ALA  81  12.707  -3.461   0.933
  595    HB1  ALA  81           HB1      ALA  81  11.173  -3.368  -0.978
  596    HB2  ALA  81           HB2      ALA  81  10.208  -2.144  -0.158
  597    HB3  ALA  81           HB3      ALA  81  10.299  -3.773   0.499
  598    H    LEU  82           HN       LEU  82  11.724  -0.123   0.974
  599    HA   LEU  82           HA       LEU  82  13.278   0.732  -1.236
  600    HB2  LEU  82           HB2      LEU  82  12.038   2.233   1.039
  601    HB3  LEU  82           HB1      LEU  82  12.969   3.025  -0.212
  602    HG   LEU  82           HG       LEU  82  10.423   1.463  -0.632
  603   HD11  LEU  82          HD11      LEU  82  10.989   4.422  -0.731
  604   HD12  LEU  82          HD12      LEU  82  10.075   3.580   0.521
  605   HD13  LEU  82          HD13      LEU  82   9.454   3.647  -1.130
  606   HD21  LEU  82          HD21      LEU  82  10.536   2.324  -2.918
  607   HD22  LEU  82          HD22      LEU  82  11.936   1.317  -2.543
  608   HD23  LEU  82          HD23      LEU  82  12.093   3.074  -2.562
  609    H    ALA  83           HN       ALA  83  14.189  -0.205   1.845
  610    HA   ALA  83           HA       ALA  83  16.265   1.599   2.368
  611    HB1  ALA  83           HB1      ALA  83  17.120  -0.055   3.925
  612    HB2  ALA  83           HB2      ALA  83  16.095  -1.291   3.199
  613    HB3  ALA  83           HB3      ALA  83  15.366   0.067   4.057
  614    H    GLU  84           HN       GLU  84  16.228  -1.357   0.389
  615    HA   GLU  84           HA       GLU  84  18.968  -0.647  -0.390
  616    HB2  GLU  84           HB2      GLU  84  17.602  -3.334  -0.610
  617    HB3  GLU  84           HB1      GLU  84  19.256  -2.984  -1.092
  618    HG2  GLU  84           HG2      GLU  84  19.766  -2.375   1.243
  619    HG3  GLU  84           HG1      GLU  84  18.133  -2.856   1.692
  620    H    ALA  85           HN       ALA  85  16.170   0.151  -1.383
  621    HA   ALA  85           HA       ALA  85  16.661  -0.472  -4.215
  622    HB1  ALA  85           HB1      ALA  85  14.562  -1.447  -3.439
  623    HB2  ALA  85           HB2      ALA  85  14.262  -0.185  -4.633
  624    HB3  ALA  85           HB3      ALA  85  13.996   0.136  -2.919
  625    H    ALA  86           HN       ALA  86  14.565   1.958  -2.727
  626    HA   ALA  86           HA       ALA  86  14.320   4.150  -2.944
  627    HB1  ALA  86           HB1      ALA  86  17.339   4.194  -3.089
  628    HB2  ALA  86           HB2      ALA  86  16.391   4.152  -1.601
  629    HB3  ALA  86           HB3      ALA  86  16.294   5.554  -2.668
  630   H281  PSR  87          H28A      PSR  87  -7.958 -11.223  -5.943
  631   H282  PSR  87          H28B      PSR  87  -7.341 -10.086  -4.748
  632   H301  PSR  87          H30A      PSR  87  -5.240  -9.902  -5.800
  633   H302  PSR  87          H30B      PSR  87  -5.833 -10.943  -7.097
  634   H303  PSR  87          H30C      PSR  87  -4.302 -11.311  -6.292
  635   H311  PSR  87          H31A      PSR  87  -4.307 -12.084  -3.904
  636   H312  PSR  87          H31B      PSR  87  -5.842 -12.182  -3.043
  637   H313  PSR  87          H31C      PSR  87  -5.199 -10.610  -3.519
  638   H321  PSR  87          H32A      PSR  87  -5.100 -13.578  -5.975
  639   H331  PSR  87          H33A      PSR  87  -7.727 -13.806  -6.326
  640   H361  PSR  87          H36A      PSR  87  -4.865 -14.337  -3.696
  641   H371  PSR  87          H37A      PSR  87  -6.968 -15.336  -2.036
  642   H372  PSR  87          H37B      PSR  87  -6.468 -16.546  -3.164
  643   H381  PSR  87          H38A      PSR  87  -5.277 -17.047  -1.322
  644   H382  PSR  87          H38B      PSR  87  -4.064 -16.317  -2.427
  645   H411  PSR  87          H41A      PSR  87  -5.993 -14.040  -0.979
  646   H421  PSR  87          H42A      PSR  87  -4.957 -13.964   1.613
  647   H422  PSR  87          H42B      PSR  87  -4.240 -12.694   0.580
  648   H431  PSR  87          H43A      PSR  87  -6.394 -12.154   1.890
  649   H432  PSR  87          H43B      PSR  87  -7.173 -13.254   0.681
  650   HC21  PSR  87          H2A       PSR  87  -4.081  -8.479   0.390
  651   HC22  PSR  87          H2B       PSR  87  -5.370  -8.630  -0.812
  652   HC31  PSR  87          H3A       PSR  87  -4.087 -10.414  -1.910
  653   HC32  PSR  87          H3B       PSR  87  -2.814 -10.240  -0.687
  654   HC41  PSR  87          H4C       PSR  87  -2.273  -9.022  -2.731
  655   HC42  PSR  87          H4A       PSR  87  -2.501  -7.921  -1.374
  656   HC43  PSR  87          H4B       PSR  87  -3.772  -8.103  -2.583
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  19.889  10.346   1.525
    2    H2   MET   1           HT2      MET   1  19.127  11.570   2.445
    3    H3   MET   1           HT3      MET   1  18.621  11.225   0.867
    4    HA   MET   1           HA       MET   1  18.550   9.223   3.003
    5    HB2  MET   1           HB2      MET   1  16.184   9.637   3.263
    6    HB3  MET   1           HB1      MET   1  17.047  11.130   3.571
    7    HG2  MET   1           HG2      MET   1  16.429  11.982   1.395
    8    HG3  MET   1           HG1      MET   1  15.666  10.447   0.984
    9    HE1  MET   1           HE1      MET   1  14.314   9.720   3.827
   10    HE2  MET   1           HE2      MET   1  13.522   9.480   2.270
   11    HE3  MET   1           HE3      MET   1  12.685  10.344   3.559
   12    H    ALA   2           HN       ALA   2  17.087   7.488   2.394
   13    HA   ALA   2           HA       ALA   2  17.367   6.752  -0.373
   14    HB1  ALA   2           HB1      ALA   2  17.473   5.056   1.406
   15    HB2  ALA   2           HB2      ALA   2  16.138   4.721   0.306
   16    HB3  ALA   2           HB3      ALA   2  15.819   5.447   1.880
   17    H    THR   3           HN       THR   3  15.366   6.149  -1.708
   18    HA   THR   3           HA       THR   3  13.435   8.274  -1.463
   19    HB   THR   3           HB       THR   3  12.477   7.135  -3.537
   20    HG1  THR   3           HG1      THR   3  13.615   5.104  -2.864
   21   HG21  THR   3          HG21      THR   3  14.016   9.033  -3.713
   22   HG22  THR   3          HG22      THR   3  14.301   7.872  -5.011
   23   HG23  THR   3          HG23      THR   3  15.393   7.932  -3.627
   24    H    LEU   4           HN       LEU   4  11.949   8.006   0.066
   25    HA   LEU   4           HA       LEU   4  10.767   5.337   0.469
   26    HB2  LEU   4           HB2      LEU   4  11.139   7.531   2.515
   27    HB3  LEU   4           HB1      LEU   4  10.416   5.965   2.801
   28    HG   LEU   4           HG       LEU   4  13.316   6.493   2.145
   29   HD11  LEU   4          HD11      LEU   4  12.707   7.191   4.389
   30   HD12  LEU   4          HD12      LEU   4  13.716   5.747   4.440
   31   HD13  LEU   4          HD13      LEU   4  11.974   5.616   4.696
   32   HD21  LEU   4          HD21      LEU   4  13.652   4.109   2.608
   33   HD22  LEU   4          HD22      LEU   4  12.574   4.350   1.232
   34   HD23  LEU   4          HD23      LEU   4  11.911   3.903   2.803
   35    H    LEU   5           HN       LEU   5   8.546   5.430   1.259
   36    HA   LEU   5           HA       LEU   5   6.978   7.415  -0.186
   37    HB2  LEU   5           HB2      LEU   5   6.052   5.135   1.529
   38    HB3  LEU   5           HB1      LEU   5   5.114   6.012   0.344
   39    HG   LEU   5           HG       LEU   5   7.359   4.081  -0.227
   40   HD11  LEU   5          HD11      LEU   5   5.532   2.675  -1.078
   41   HD12  LEU   5          HD12      LEU   5   4.377   3.895  -0.519
   42   HD13  LEU   5          HD13      LEU   5   5.365   3.021   0.647
   43   HD21  LEU   5          HD21      LEU   5   5.455   5.487  -2.080
   44   HD22  LEU   5          HD22      LEU   5   6.661   4.281  -2.545
   45   HD23  LEU   5          HD23      LEU   5   7.171   5.848  -1.914
   46    H    THR   6           HN       THR   6   5.794   9.001   0.882
   47    HA   THR   6           HA       THR   6   5.909   9.018   3.793
   48    HB   THR   6           HB       THR   6   5.069  11.361   3.556
   49    HG1  THR   6           HG1      THR   6   5.156  12.241   1.413
   50   HG21  THR   6          HG21      THR   6   7.549  10.725   1.943
   51   HG22  THR   6          HG22      THR   6   7.480  10.932   3.694
   52   HG23  THR   6          HG23      THR   6   7.151  12.300   2.630
   53    H    THR   7           HN       THR   7   3.717  10.099   4.722
   54    HA   THR   7           HA       THR   7   1.576   8.377   4.444
   55    HB   THR   7           HB       THR   7   1.360  11.331   5.085
   56    HG1  THR   7           HG1      THR   7   2.461   9.177   6.599
   57   HG21  THR   7          HG21      THR   7  -0.446  10.585   6.582
   58   HG22  THR   7          HG22      THR   7  -0.151   8.912   6.114
   59   HG23  THR   7          HG23      THR   7  -0.771  10.054   4.930
   60    H    ASP   8           HN       ASP   8   2.234  11.480   2.933
   61    HA   ASP   8           HA       ASP   8  -0.026  11.869   1.366
   62    HB2  ASP   8           HB2      ASP   8   2.830  12.706   1.046
   63    HB3  ASP   8           HB1      ASP   8   1.624  13.107  -0.168
   64    H    ASP   9           HN       ASP   9   3.029  10.296   0.472
   65    HA   ASP   9           HA       ASP   9   2.128   9.792  -2.177
   66    HB2  ASP   9           HB2      ASP   9   4.514  10.070  -1.429
   67    HB3  ASP   9           HB1      ASP   9   4.415   8.424  -0.814
   68    H    LEU  10           HN       LEU  10   2.192   7.946   0.760
   69    HA   LEU  10           HA       LEU  10   1.328   5.490  -0.365
   70    HB2  LEU  10           HB2      LEU  10   2.225   5.730   1.931
   71    HB3  LEU  10           HB1      LEU  10   0.785   6.611   2.389
   72    HG   LEU  10           HG       LEU  10  -0.538   4.545   1.802
   73   HD11  LEU  10          HD11      LEU  10   2.189   3.276   1.752
   74   HD12  LEU  10          HD12      LEU  10   1.081   3.442   0.388
   75   HD13  LEU  10          HD13      LEU  10   0.648   2.415   1.755
   76   HD21  LEU  10          HD21      LEU  10  -0.064   5.158   4.102
   77   HD22  LEU  10          HD22      LEU  10   1.493   4.336   4.013
   78   HD23  LEU  10          HD23      LEU  10  -0.002   3.407   3.901
   79    H    ARG  11           HN       ARG  11  -0.331   8.308   0.942
   80    HA   ARG  11           HA       ARG  11  -2.958   7.489   0.891
   81    HB2  ARG  11           HB2      ARG  11  -2.125   9.604   1.876
   82    HB3  ARG  11           HB1      ARG  11  -1.908  10.253   0.260
   83    HG2  ARG  11           HG2      ARG  11  -4.360  10.002  -0.100
   84    HG3  ARG  11           HG1      ARG  11  -4.480   9.466   1.580
   85    HD2  ARG  11           HD2      ARG  11  -5.027  11.845   1.362
   86    HD3  ARG  11           HD1      ARG  11  -3.602  11.582   2.362
   87    HE   ARG  11           HE       ARG  11  -2.872  12.029  -0.336
   88   HH11  ARG  11          HH11      ARG  11  -4.123  13.808   2.462
   89   HH12  ARG  11          HH12      ARG  11  -3.362  15.275   2.028
   90   HH21  ARG  11          HH21      ARG  11  -1.771  14.051  -0.873
   91   HH22  ARG  11          HH22      ARG  11  -1.989  15.407   0.116
   92    H    ARG  12           HN       ARG  12  -1.230   9.260  -1.648
   93    HA   ARG  12           HA       ARG  12  -3.247   9.176  -3.569
   94    HB2  ARG  12           HB2      ARG  12  -1.465   9.587  -5.269
   95    HB3  ARG  12           HB1      ARG  12  -1.402  10.682  -3.896
   96    HG2  ARG  12           HG2      ARG  12   0.415   9.401  -2.943
   97    HG3  ARG  12           HG1      ARG  12   0.327   8.258  -4.274
   98    HD2  ARG  12           HD2      ARG  12   0.931  11.189  -4.587
   99    HD3  ARG  12           HD1      ARG  12   2.161   9.939  -4.430
  100    HE   ARG  12           HE       ARG  12   0.185   9.907  -6.608
  101   HH11  ARG  12          HH11      ARG  12   3.555   9.617  -5.480
  102   HH12  ARG  12          HH12      ARG  12   4.228   9.527  -7.036
  103   HH21  ARG  12          HH21      ARG  12   1.119   9.720  -8.789
  104   HH22  ARG  12          HH22      ARG  12   2.794   9.622  -8.981
  105    H    ALA  13           HN       ALA  13  -0.872   6.726  -2.770
  106    HA   ALA  13           HA       ALA  13  -1.326   5.090  -5.044
  107    HB1  ALA  13           HB1      ALA  13  -0.173   3.343  -3.779
  108    HB2  ALA  13           HB2      ALA  13  -0.302   4.312  -2.311
  109    HB3  ALA  13           HB3      ALA  13   0.689   4.877  -3.655
  110    H    LEU  14           HN       LEU  14  -2.576   5.002  -1.730
  111    HA   LEU  14           HA       LEU  14  -4.344   2.838  -2.192
  112    HB2  LEU  14           HB2      LEU  14  -4.192   4.932  -0.046
  113    HB3  LEU  14           HB1      LEU  14  -5.599   3.907  -0.143
  114    HG   LEU  14           HG       LEU  14  -4.070   3.107   1.546
  115   HD11  LEU  14          HD11      LEU  14  -4.128   1.273  -0.820
  116   HD12  LEU  14          HD12      LEU  14  -5.374   1.454   0.415
  117   HD13  LEU  14          HD13      LEU  14  -3.793   0.800   0.846
  118   HD21  LEU  14          HD21      LEU  14  -2.042   2.796  -0.657
  119   HD22  LEU  14          HD22      LEU  14  -1.859   2.218   1.000
  120   HD23  LEU  14          HD23      LEU  14  -1.970   3.947   0.677
  121    H    VAL  15           HN       VAL  15  -4.808   6.324  -2.330
  122    HA   VAL  15           HA       VAL  15  -7.510   6.097  -3.070
  123    HB   VAL  15           HB       VAL  15  -5.631   8.473  -3.402
  124   HG11  VAL  15          HG11      VAL  15  -7.496   8.640  -4.999
  125   HG12  VAL  15          HG12      VAL  15  -7.622   9.838  -3.712
  126   HG13  VAL  15          HG13      VAL  15  -8.636   8.396  -3.674
  127   HG21  VAL  15          HG21      VAL  15  -7.768   7.868  -1.375
  128   HG22  VAL  15          HG22      VAL  15  -6.819   9.354  -1.468
  129   HG23  VAL  15          HG23      VAL  15  -6.025   7.820  -1.109
  130    H    GLU  16           HN       GLU  16  -4.771   5.370  -4.868
  131    HA   GLU  16           HA       GLU  16  -5.823   6.079  -7.444
  132    HB2  GLU  16           HB2      GLU  16  -3.388   5.963  -6.898
  133    HB3  GLU  16           HB1      GLU  16  -3.546   4.223  -6.755
  134    HG2  GLU  16           HG2      GLU  16  -2.609   4.811  -8.889
  135    HG3  GLU  16           HG1      GLU  16  -4.213   4.110  -9.108
  136    H    SER  17           HN       SER  17  -5.223   2.968  -5.744
  137    HA   SER  17           HA       SER  17  -6.412   1.494  -7.833
  138    HB2  SER  17           HB2      SER  17  -6.012  -0.450  -6.056
  139    HB3  SER  17           HB1      SER  17  -4.684   0.404  -6.811
  140    HG   SER  17           HG       SER  17  -5.706   0.877  -4.192
  141    H    ALA  18           HN       ALA  18  -7.768   2.863  -4.924
  142    HA   ALA  18           HA       ALA  18 -10.250   1.370  -5.537
  143    HB1  ALA  18           HB1      ALA  18 -10.985   1.722  -3.275
  144    HB2  ALA  18           HB2      ALA  18  -9.544   2.679  -2.934
  145    HB3  ALA  18           HB3      ALA  18  -9.398   0.957  -3.291
  146    H    GLY  19           HN       GLY  19  -8.889   4.497  -5.562
  147    HA2  GLY  19           HA2      GLY  19 -11.509   5.755  -5.349
  148    HA3  GLY  19           HA1      GLY  19  -9.950   6.574  -5.313
  149    H    GLU  20           HN       GLU  20 -10.687   4.114  -7.620
  150    HA   GLU  20           HA       GLU  20 -10.211   5.916  -9.831
  151    HB2  GLU  20           HB2      GLU  20  -9.273   3.595  -9.702
  152    HB3  GLU  20           HB1      GLU  20 -10.904   2.957  -9.760
  153    HG2  GLU  20           HG2      GLU  20  -9.771   2.759 -11.909
  154    HG3  GLU  20           HG1      GLU  20 -11.177   3.814 -12.022
  155    H    THR  21           HN       THR  21 -12.434   6.645  -8.390
  156    HA   THR  21           HA       THR  21 -14.660   7.116  -8.402
  157    HB   THR  21           HB       THR  21 -14.441   6.710 -11.425
  158    HG1  THR  21           HG1      THR  21 -12.690   8.029 -10.724
  159   HG21  THR  21          HG21      THR  21 -16.060   8.676  -9.763
  160   HG22  THR  21          HG22      THR  21 -16.707   7.245 -10.565
  161   HG23  THR  21          HG23      THR  21 -16.055   8.571 -11.526
  162    H    ASP  22           HN       ASP  22 -14.022   4.448  -7.847
  163    HA   ASP  22           HA       ASP  22 -15.843   2.738  -9.315
  164    HB2  ASP  22           HB2      ASP  22 -13.614   1.911  -8.596
  165    HB3  ASP  22           HB1      ASP  22 -14.116   2.084  -6.920
  166    H    GLY  23           HN       GLY  23 -15.513   4.030  -6.040
  167    HA2  GLY  23           HA2      GLY  23 -18.041   4.718  -5.576
  168    HA3  GLY  23           HA1      GLY  23 -18.115   2.978  -5.356
  169    H    THR  24           HN       THR  24 -15.570   2.616  -4.154
  170    HA   THR  24           HA       THR  24 -16.233   3.684  -1.512
  171    HB   THR  24           HB       THR  24 -14.346   1.424  -2.217
  172    HG1  THR  24           HG1      THR  24 -16.425   0.884  -2.984
  173   HG21  THR  24          HG21      THR  24 -15.850   2.128   0.317
  174   HG22  THR  24          HG22      THR  24 -14.127   2.376   0.044
  175   HG23  THR  24          HG23      THR  24 -14.782   0.740   0.106
  176    H    ASP  25           HN       ASP  25 -15.169   5.758  -1.760
  177    HA   ASP  25           HA       ASP  25 -12.304   5.634  -2.337
  178    HB2  ASP  25           HB2      ASP  25 -13.909   7.491  -3.269
  179    HB3  ASP  25           HB1      ASP  25 -13.771   8.193  -1.661
  180    H    LEU  26           HN       LEU  26 -11.233   7.530  -0.758
  181    HA   LEU  26           HA       LEU  26 -11.759   6.883   1.995
  182    HB2  LEU  26           HB2      LEU  26  -9.469   5.955   2.432
  183    HB3  LEU  26           HB1      LEU  26 -10.498   4.904   1.502
  184    HG   LEU  26           HG       LEU  26  -8.241   6.569   0.306
  185   HD11  LEU  26          HD11      LEU  26  -7.025   4.456   0.183
  186   HD12  LEU  26          HD12      LEU  26  -8.338   3.651   1.043
  187   HD13  LEU  26          HD13      LEU  26  -7.388   4.899   1.849
  188   HD21  LEU  26          HD21      LEU  26  -8.459   5.070  -1.617
  189   HD22  LEU  26          HD22      LEU  26  -9.970   5.941  -1.339
  190   HD23  LEU  26          HD23      LEU  26  -9.818   4.255  -0.845
  191    H    SER  27           HN       SER  27  -9.450   8.233  -0.248
  192    HA   SER  27           HA       SER  27  -8.654  10.331  -0.601
  193    HB2  SER  27           HB2      SER  27 -10.585  11.270   1.425
  194    HB3  SER  27           HB1      SER  27  -9.879  12.217   0.119
  195    HG   SER  27           HG       SER  27 -11.106  10.077  -0.967
  196    H    GLY  28           HN       GLY  28  -8.056   8.867   2.150
  197    HA2  GLY  28           HA2      GLY  28  -5.775   9.887   3.070
  198    HA3  GLY  28           HA1      GLY  28  -6.875  11.198   3.490
  199    H    ASP  29           HN       ASP  29  -9.073   9.488   4.160
  200    HA   ASP  29           HA       ASP  29  -8.201   8.758   6.837
  201    HB2  ASP  29           HB2      ASP  29 -10.947   8.404   5.562
  202    HB3  ASP  29           HB1      ASP  29 -10.539   8.172   7.251
  203    H    PHE  30           HN       PHE  30  -6.872   6.966   6.579
  204    HA   PHE  30           HA       PHE  30  -8.133   4.509   5.739
  205    HB2  PHE  30           HB2      PHE  30  -7.053   4.159   3.613
  206    HB3  PHE  30           HB1      PHE  30  -7.517   5.816   3.644
  207    HD1  PHE  30           HD2      PHE  30  -5.898   7.632   3.957
  208    HD2  PHE  30           HD1      PHE  30  -4.651   3.593   3.538
  209    HE1  PHE  30           HE2      PHE  30  -3.632   8.389   3.398
  210    HE2  PHE  30           HE1      PHE  30  -2.373   4.358   2.974
  211    HZ   PHE  30           HZ       PHE  30  -1.823   6.693   3.048
  212    H    LEU  31           HN       LEU  31  -5.250   6.265   6.664
  213    HA   LEU  31           HA       LEU  31  -3.355   4.270   6.615
  214    HB2  LEU  31           HB2      LEU  31  -2.842   6.633   6.683
  215    HB3  LEU  31           HB1      LEU  31  -3.412   6.723   8.341
  216    HG   LEU  31           HG       LEU  31  -1.623   5.211   9.017
  217   HD11  LEU  31          HD11      LEU  31  -1.287   4.021   6.917
  218   HD12  LEU  31          HD12      LEU  31   0.229   4.750   7.454
  219   HD13  LEU  31          HD13      LEU  31  -0.699   5.500   6.155
  220   HD21  LEU  31          HD21      LEU  31  -0.710   7.645   7.511
  221   HD22  LEU  31          HD22      LEU  31   0.217   6.806   8.756
  222   HD23  LEU  31          HD23      LEU  31  -1.302   7.604   9.170
  223    H    ASP  32           HN       ASP  32  -5.453   5.095   9.305
  224    HA   ASP  32           HA       ASP  32  -4.100   3.101  10.985
  225    HB2  ASP  32           HB2      ASP  32  -6.218   5.156  11.658
  226    HB3  ASP  32           HB1      ASP  32  -5.568   3.997  12.807
  227    H    LEU  33           HN       LEU  33  -6.465   3.146   8.804
  228    HA   LEU  33           HA       LEU  33  -8.336   1.395  10.186
  229    HB2  LEU  33           HB2      LEU  33  -8.420   2.725   7.466
  230    HB3  LEU  33           HB1      LEU  33  -9.648   1.640   8.052
  231    HG   LEU  33           HG       LEU  33 -10.206   3.306   9.843
  232   HD11  LEU  33          HD11      LEU  33  -8.084   4.515   9.981
  233   HD12  LEU  33          HD12      LEU  33  -9.422   5.610   9.626
  234   HD13  LEU  33          HD13      LEU  33  -8.317   5.122   8.341
  235   HD21  LEU  33          HD21      LEU  33 -10.335   4.295   7.009
  236   HD22  LEU  33          HD22      LEU  33 -11.328   4.869   8.348
  237   HD23  LEU  33          HD23      LEU  33 -11.475   3.202   7.793
  238    H    ARG  34           HN       ARG  34  -8.741  -0.715   9.295
  239    HA   ARG  34           HA       ARG  34  -6.454  -1.825   7.902
  240    HB2  ARG  34           HB2      ARG  34  -9.010  -3.035   8.852
  241    HB3  ARG  34           HB1      ARG  34  -8.063  -3.869   7.641
  242    HG2  ARG  34           HG2      ARG  34  -6.139  -3.503   9.417
  243    HG3  ARG  34           HG1      ARG  34  -7.537  -3.454  10.517
  244    HD2  ARG  34           HD2      ARG  34  -8.369  -5.554   9.487
  245    HD3  ARG  34           HD1      ARG  34  -6.921  -5.502   8.465
  246    HE   ARG  34           HE       ARG  34  -5.873  -5.534  10.911
  247   HH11  ARG  34          HH11      ARG  34  -8.319  -7.590   9.352
  248   HH12  ARG  34          HH12      ARG  34  -7.834  -9.028  10.128
  249   HH21  ARG  34          HH21      ARG  34  -5.138  -7.593  11.937
  250   HH22  ARG  34          HH22      ARG  34  -5.956  -9.037  11.546
  251    H    PHE  35           HN       PHE  35  -6.425  -2.748   5.863
  252    HA   PHE  35           HA       PHE  35  -7.605  -1.396   3.754
  253    HB2  PHE  35           HB2      PHE  35  -6.752  -4.296   3.741
  254    HB3  PHE  35           HB1      PHE  35  -7.027  -3.303   2.313
  255    HD1  PHE  35           HD2      PHE  35  -5.554  -1.259   1.985
  256    HD2  PHE  35           HD1      PHE  35  -4.737  -4.325   4.802
  257    HE1  PHE  35           HE2      PHE  35  -3.205  -0.532   2.103
  258    HE2  PHE  35           HE1      PHE  35  -2.480  -3.645   4.959
  259    HZ   PHE  35           HZ       PHE  35  -1.635  -1.721   3.591
  260    H    GLU  36           HN       GLU  36  -8.625  -4.350   5.226
  261    HA   GLU  36           HA       GLU  36 -10.870  -5.109   3.815
  262    HB2  GLU  36           HB2      GLU  36 -10.708  -5.065   6.823
  263    HB3  GLU  36           HB1      GLU  36 -11.689  -6.132   5.834
  264    HG2  GLU  36           HG2      GLU  36  -9.671  -7.196   4.978
  265    HG3  GLU  36           HG1      GLU  36  -8.683  -6.114   5.960
  266    H    ASP  37           HN       ASP  37 -10.577  -2.552   6.196
  267    HA   ASP  37           HA       ASP  37 -13.429  -2.054   6.279
  268    HB2  ASP  37           HB2      ASP  37 -12.107  -2.138   8.334
  269    HB3  ASP  37           HB1      ASP  37 -11.123  -0.803   7.754
  270    H    ILE  38           HN       ILE  38 -10.708  -0.904   4.559
  271    HA   ILE  38           HA       ILE  38 -12.084   1.604   3.980
  272    HB   ILE  38           HB       ILE  38 -10.033   2.349   2.777
  273   HG12  ILE  38          HG12      ILE  38  -8.761  -0.128   3.959
  274   HG13  ILE  38          HG11      ILE  38  -9.088   0.063   2.251
  275   HG21  ILE  38          HG21      ILE  38  -8.693   2.765   4.782
  276   HG22  ILE  38          HG22      ILE  38  -9.643   1.561   5.648
  277   HG23  ILE  38          HG23      ILE  38 -10.415   3.028   5.049
  278   HD11  ILE  38          HD11      ILE  38  -7.173   1.693   3.921
  279   HD12  ILE  38          HD12      ILE  38  -7.514   1.971   2.213
  280   HD13  ILE  38          HD13      ILE  38  -6.762   0.460   2.727
  281    H    GLY  39           HN       GLY  39 -12.839  -1.045   2.985
  282    HA2  GLY  39           HA2      GLY  39 -14.017  -1.666   1.088
  283    HA3  GLY  39           HA1      GLY  39 -13.517  -0.159   0.334
  284    H    TYR  40           HN       TYR  40 -11.055  -2.070   1.663
  285    HA   TYR  40           HA       TYR  40 -10.177  -2.743  -1.004
  286    HB2  TYR  40           HB2      TYR  40  -8.831  -2.282   1.579
  287    HB3  TYR  40           HB1      TYR  40  -8.078  -3.473   0.538
  288    HD1  TYR  40           HD2      TYR  40  -9.610  -0.083   0.230
  289    HD2  TYR  40           HD1      TYR  40  -6.508  -2.739  -0.827
  290    HE1  TYR  40           HE2      TYR  40  -8.606   1.649  -1.184
  291    HE2  TYR  40           HE1      TYR  40  -5.509  -1.038  -2.239
  292    HH   TYR  40           HH       TYR  40  -6.552   2.199  -2.298
  293    H    ASP  41           HN       ASP  41 -10.535  -4.575  -1.790
  294    HA   ASP  41           HA       ASP  41 -11.575  -6.678  -0.135
  295    HB2  ASP  41           HB2      ASP  41 -12.177  -7.732  -2.285
  296    HB3  ASP  41           HB1      ASP  41 -12.766  -6.084  -2.193
  297    H    SER  42           HN       SER  42  -9.159  -6.391  -2.627
  298    HA   SER  42           HA       SER  42  -7.019  -7.740  -1.478
  299    HB2  SER  42           HB2      SER  42  -7.278  -9.944  -2.770
  300    HB3  SER  42           HB1      SER  42  -8.344  -9.760  -1.368
  301    H    LEU  43           HN       LEU  43  -8.983  -7.394  -4.414
  302    HA   LEU  43           HA       LEU  43  -6.786  -7.354  -6.223
  303    HB2  LEU  43           HB2      LEU  43  -9.137  -7.904  -6.879
  304    HB3  LEU  43           HB1      LEU  43  -9.578  -6.239  -6.604
  305    HG   LEU  43           HG       LEU  43  -7.591  -7.100  -8.739
  306   HD11  LEU  43          HD11      LEU  43  -9.744  -8.135  -9.159
  307   HD12  LEU  43          HD12      LEU  43  -9.424  -6.851 -10.324
  308   HD13  LEU  43          HD13      LEU  43 -10.539  -6.571  -8.988
  309   HD21  LEU  43          HD21      LEU  43  -8.108  -4.917  -9.748
  310   HD22  LEU  43          HD22      LEU  43  -7.453  -4.713  -8.131
  311   HD23  LEU  43          HD23      LEU  43  -9.187  -4.542  -8.404
  312    H    ALA  44           HN       ALA  44  -8.774  -4.848  -4.758
  313    HA   ALA  44           HA       ALA  44  -7.369  -2.707  -5.902
  314    HB1  ALA  44           HB1      ALA  44  -8.814  -2.789  -3.248
  315    HB2  ALA  44           HB2      ALA  44  -9.554  -2.446  -4.812
  316    HB3  ALA  44           HB3      ALA  44  -8.362  -1.334  -4.136
  317    H    LEU  45           HN       LEU  45  -6.800  -4.655  -3.086
  318    HA   LEU  45           HA       LEU  45  -4.892  -3.060  -1.724
  319    HB2  LEU  45           HB2      LEU  45  -6.236  -5.303  -1.133
  320    HB3  LEU  45           HB1      LEU  45  -4.725  -6.023  -1.617
  321    HG   LEU  45           HG       LEU  45  -5.401  -4.430   0.783
  322   HD11  LEU  45          HD11      LEU  45  -3.948  -6.076   1.843
  323   HD12  LEU  45          HD12      LEU  45  -3.733  -6.821   0.248
  324   HD13  LEU  45          HD13      LEU  45  -5.340  -6.781   0.983
  325   HD21  LEU  45          HD21      LEU  45  -2.589  -4.565  -0.293
  326   HD22  LEU  45          HD22      LEU  45  -3.102  -3.984   1.312
  327   HD23  LEU  45          HD23      LEU  45  -3.597  -3.115  -0.136
  328    H    MET  46           HN       MET  46  -4.549  -5.841  -3.880
  329    HA   MET  46           HA       MET  46  -1.732  -5.890  -3.849
  330    HB2  MET  46           HB2      MET  46  -1.903  -7.513  -5.648
  331    HB3  MET  46           HB1      MET  46  -3.095  -7.852  -4.407
  332    HG2  MET  46           HG2      MET  46  -4.380  -8.150  -6.294
  333    HG3  MET  46           HG1      MET  46  -4.610  -6.422  -5.935
  334    HE1  MET  46           HE1      MET  46  -5.572  -6.186  -8.452
  335    HE2  MET  46           HE2      MET  46  -5.205  -7.877  -8.774
  336    HE3  MET  46           HE3      MET  46  -4.640  -6.626  -9.882
  337    H    GLU  47           HN       GLU  47  -4.031  -4.135  -5.784
  338    HA   GLU  47           HA       GLU  47  -2.196  -3.529  -7.846
  339    HB2  GLU  47           HB2      GLU  47  -4.640  -3.603  -8.177
  340    HB3  GLU  47           HB1      GLU  47  -4.815  -2.201  -7.135
  341    HG2  GLU  47           HG2      GLU  47  -3.774  -0.800  -8.669
  342    HG3  GLU  47           HG1      GLU  47  -3.177  -2.149  -9.645
  343    H    THR  48           HN       THR  48  -3.090  -2.024  -4.809
  344    HA   THR  48           HA       THR  48  -1.790   0.444  -5.060
  345    HB   THR  48           HB       THR  48  -1.874  -1.342  -2.609
  346    HG1  THR  48           HG1      THR  48  -3.901   0.122  -3.894
  347   HG21  THR  48          HG21      THR  48  -1.873   1.661  -2.916
  348   HG22  THR  48          HG22      THR  48  -0.516   0.673  -2.378
  349   HG23  THR  48          HG23      THR  48  -1.975   0.786  -1.389
  350    H    ALA  49           HN       ALA  49  -0.710  -2.669  -3.727
  351    HA   ALA  49           HA       ALA  49   1.948  -2.045  -3.183
  352    HB1  ALA  49           HB1      ALA  49   0.796  -4.729  -3.935
  353    HB2  ALA  49           HB2      ALA  49   0.848  -4.054  -2.302
  354    HB3  ALA  49           HB3      ALA  49   2.346  -4.447  -3.154
  355    H    ALA  50           HN       ALA  50   0.580  -3.694  -6.016
  356    HA   ALA  50           HA       ALA  50   2.853  -4.172  -7.475
  357    HB1  ALA  50           HB1      ALA  50   0.156  -3.398  -8.564
  358    HB2  ALA  50           HB2      ALA  50   0.637  -5.014  -8.041
  359    HB3  ALA  50           HB3      ALA  50   1.429  -4.263  -9.426
  360    H    ARG  51           HN       ARG  51   0.865  -1.240  -7.519
  361    HA   ARG  51           HA       ARG  51   2.286   0.079  -9.561
  362    HB2  ARG  51           HB2      ARG  51   0.007   0.732  -8.763
  363    HB3  ARG  51           HB1      ARG  51   0.735   1.301  -7.277
  364    HG2  ARG  51           HG2      ARG  51   1.948   3.013  -8.435
  365    HG3  ARG  51           HG1      ARG  51   1.383   2.409  -9.994
  366    HD2  ARG  51           HD2      ARG  51  -0.927   2.911  -9.331
  367    HD3  ARG  51           HD1      ARG  51  -0.336   3.540  -7.792
  368    HE   ARG  51           HE       ARG  51   0.708   5.318  -8.957
  369   HH11  ARG  51          HH11      ARG  51  -1.472   3.376 -10.986
  370   HH12  ARG  51          HH12      ARG  51  -1.757   4.604 -12.122
  371   HH21  ARG  51          HH21      ARG  51   0.213   7.067 -10.477
  372   HH22  ARG  51          HH22      ARG  51  -0.836   6.774 -11.776
  373    H    LEU  52           HN       LEU  52   2.615   0.134  -6.053
  374    HA   LEU  52           HA       LEU  52   4.726   2.049  -6.019
  375    HB2  LEU  52           HB2      LEU  52   3.836   0.073  -3.923
  376    HB3  LEU  52           HB1      LEU  52   5.009   1.352  -3.657
  377    HG   LEU  52           HG       LEU  52   2.117   1.784  -4.431
  378   HD11  LEU  52          HD11      LEU  52   2.310   0.924  -2.165
  379   HD12  LEU  52          HD12      LEU  52   1.830   2.621  -2.164
  380   HD13  LEU  52          HD13      LEU  52   3.494   2.175  -1.788
  381   HD21  LEU  52          HD21      LEU  52   3.583   3.545  -5.256
  382   HD22  LEU  52          HD22      LEU  52   4.276   3.738  -3.645
  383   HD23  LEU  52          HD23      LEU  52   2.581   4.140  -3.930
  384    H    GLU  53           HN       GLU  53   4.705  -1.494  -5.848
  385    HA   GLU  53           HA       GLU  53   7.414  -1.968  -5.557
  386    HB2  GLU  53           HB2      GLU  53   5.415  -3.509  -7.202
  387    HB3  GLU  53           HB1      GLU  53   7.016  -4.083  -6.788
  388    HG2  GLU  53           HG2      GLU  53   6.392  -4.052  -4.415
  389    HG3  GLU  53           HG1      GLU  53   4.791  -3.477  -4.872
  390    H    SER  54           HN       SER  54   5.501  -1.511  -8.435
  391    HA   SER  54           HA       SER  54   7.455  -1.979 -10.367
  392    HB2  SER  54           HB2      SER  54   4.969  -1.923 -10.692
  393    HB3  SER  54           HB1      SER  54   5.046  -0.167 -10.595
  394    HG   SER  54           HG       SER  54   5.674  -1.874 -12.603
  395    H    ARG  55           HN       ARG  55   6.536   0.991  -8.680
  396    HA   ARG  55           HA       ARG  55   7.962   2.800 -10.320
  397    HB2  ARG  55           HB2      ARG  55   6.158   3.415  -8.672
  398    HB3  ARG  55           HB1      ARG  55   7.338   3.174  -7.391
  399    HG2  ARG  55           HG2      ARG  55   8.777   4.893  -8.592
  400    HG3  ARG  55           HG1      ARG  55   7.349   5.250  -9.559
  401    HD2  ARG  55           HD2      ARG  55   7.609   5.478  -6.567
  402    HD3  ARG  55           HD1      ARG  55   7.560   6.807  -7.717
  403    HE   ARG  55           HE       ARG  55   5.236   5.665  -8.212
  404   HH11  ARG  55          HH11      ARG  55   6.773   6.217  -5.049
  405   HH12  ARG  55          HH12      ARG  55   5.320   6.648  -4.273
  406   HH21  ARG  55          HH21      ARG  55   3.214   6.229  -7.053
  407   HH22  ARG  55          HH22      ARG  55   3.303   6.636  -5.387
  408    H    TYR  56           HN       TYR  56   8.989   0.735  -7.722
  409    HA   TYR  56           HA       TYR  56  11.557   2.182  -7.679
  410    HB2  TYR  56           HB2      TYR  56  10.286   0.589  -5.469
  411    HB3  TYR  56           HB1      TYR  56  11.872   1.350  -5.386
  412    HD1  TYR  56           HD2      TYR  56  12.059   3.808  -5.408
  413    HD2  TYR  56           HD1      TYR  56   8.274   1.870  -5.211
  414    HE1  TYR  56           HE2      TYR  56  11.017   5.903  -4.673
  415    HE2  TYR  56           HE1      TYR  56   7.240   3.931  -4.474
  416    HH   TYR  56           HH       TYR  56   8.945   6.948  -4.594
  417    H    GLY  57           HN       GLY  57  10.160  -0.785  -8.491
  418    HA2  GLY  57           HA2      GLY  57  11.189  -2.607  -9.447
  419    HA3  GLY  57           HA1      GLY  57  12.757  -1.883  -9.092
  420    H    VAL  58           HN       VAL  58  10.178  -2.415  -6.798
  421    HA   VAL  58           HA       VAL  58  11.981  -4.203  -5.351
  422    HB   VAL  58           HB       VAL  58  10.788  -3.715  -3.277
  423   HG11  VAL  58          HG11      VAL  58  11.455  -1.184  -4.738
  424   HG12  VAL  58          HG12      VAL  58  12.589  -2.209  -3.848
  425   HG13  VAL  58          HG13      VAL  58  11.300  -1.349  -2.992
  426   HG21  VAL  58          HG21      VAL  58   8.995  -2.039  -3.149
  427   HG22  VAL  58          HG22      VAL  58   8.529  -3.414  -4.151
  428   HG23  VAL  58          HG23      VAL  58   9.012  -1.895  -4.907
  429    H    SER  59           HN       SER  59  10.489  -5.781  -3.842
  430    HA   SER  59           HA       SER  59   8.333  -6.765  -5.487
  431    HB2  SER  59           HB2      SER  59  10.479  -7.839  -6.250
  432    HB3  SER  59           HB1      SER  59  10.658  -8.505  -4.629
  433    HG   SER  59           HG       SER  59   9.108  -9.281  -6.710
  434    H    ILE  60           HN       ILE  60   6.736  -7.103  -4.179
  435    HA   ILE  60           HA       ILE  60   7.219  -7.705  -1.349
  436    HB   ILE  60           HB       ILE  60   4.684  -6.831  -2.778
  437   HG12  ILE  60          HG12      ILE  60   6.397  -5.340  -0.789
  438   HG13  ILE  60          HG11      ILE  60   6.408  -5.064  -2.533
  439   HG21  ILE  60          HG21      ILE  60   4.136  -8.286  -0.898
  440   HG22  ILE  60          HG22      ILE  60   3.675  -6.620  -0.542
  441   HG23  ILE  60          HG23      ILE  60   5.136  -7.305   0.174
  442   HD11  ILE  60          HD11      ILE  60   4.054  -4.396  -2.404
  443   HD12  ILE  60          HD12      ILE  60   5.103  -3.396  -1.399
  444   HD13  ILE  60          HD13      ILE  60   4.098  -4.642  -0.655
  445    HA   PRO  61           HA       PRO  61   6.168 -11.989  -2.273
  446    HB2  PRO  61           HB2      PRO  61   5.554 -11.863   0.654
  447    HB3  PRO  61           HB1      PRO  61   6.524 -13.048  -0.239
  448    HG2  PRO  61           HG2      PRO  61   7.718 -11.224   1.254
  449    HG3  PRO  61           HG1      PRO  61   8.377 -11.645  -0.341
  450    HD2  PRO  61           HD2      PRO  61   6.793  -9.251   0.486
  451    HD3  PRO  61           HD1      PRO  61   8.175  -9.363  -0.624
  452    H    ASP  62           HN       ASP  62   4.223 -12.471  -3.079
  453    HA   ASP  62           HA       ASP  62   1.940 -10.926  -2.714
  454    HB2  ASP  62           HB2      ASP  62   0.734 -12.551  -4.023
  455    HB3  ASP  62           HB1      ASP  62   2.327 -12.319  -4.727
  456    H    ASP  63           HN       ASP  63   2.938 -13.854  -1.061
  457    HA   ASP  63           HA       ASP  63   0.403 -14.222   0.233
  458    HB2  ASP  63           HB2      ASP  63   2.028 -16.076  -0.138
  459    HB3  ASP  63           HB1      ASP  63   3.120 -15.289   0.999
  460    H    VAL  64           HN       VAL  64   3.226 -12.398   0.831
  461    HA   VAL  64           HA       VAL  64   2.550 -11.796   3.560
  462    HB   VAL  64           HB       VAL  64   4.779 -10.658   1.818
  463   HG11  VAL  64          HG11      VAL  64   4.161  -9.028   3.559
  464   HG12  VAL  64          HG12      VAL  64   5.744  -9.737   3.878
  465   HG13  VAL  64          HG13      VAL  64   4.335 -10.282   4.787
  466   HG21  VAL  64          HG21      VAL  64   4.819 -12.664   4.063
  467   HG22  VAL  64          HG22      VAL  64   6.235 -12.037   3.221
  468   HG23  VAL  64          HG23      VAL  64   5.047 -13.006   2.348
  469    H    ALA  65           HN       ALA  65   1.867 -10.502   0.456
  470    HA   ALA  65           HA       ALA  65   1.043  -7.913   1.232
  471    HB1  ALA  65           HB1      ALA  65  -0.276  -7.857  -0.848
  472    HB2  ALA  65           HB2      ALA  65  -0.096  -9.597  -1.026
  473    HB3  ALA  65           HB3      ALA  65   1.315  -8.545  -1.152
  474    H    GLY  66           HN       GLY  66  -0.349 -11.012   1.733
  475    HA2  GLY  66           HA2      GLY  66  -2.901  -9.887   2.597
  476    HA3  GLY  66           HA1      GLY  66  -2.465 -11.593   2.594
  477    H    ARG  67           HN       ARG  67   0.087 -10.061   3.887
  478    HA   ARG  67           HA       ARG  67  -0.834 -10.623   6.597
  479    HB2  ARG  67           HB2      ARG  67   1.926 -10.650   5.383
  480    HB3  ARG  67           HB1      ARG  67   1.666 -10.684   7.136
  481    HG2  ARG  67           HG2      ARG  67   0.310 -12.706   6.836
  482    HG3  ARG  67           HG1      ARG  67   0.660 -12.659   5.110
  483    HD2  ARG  67           HD2      ARG  67   3.028 -12.936   5.575
  484    HD3  ARG  67           HD1      ARG  67   2.697 -12.916   7.312
  485    HE   ARG  67           HE       ARG  67   1.117 -14.871   6.567
  486   HH11  ARG  67          HH11      ARG  67   4.557 -14.325   5.870
  487   HH12  ARG  67          HH12      ARG  67   4.837 -15.941   5.418
  488   HH21  ARG  67          HH21      ARG  67   1.565 -17.110   6.010
  489   HH22  ARG  67          HH22      ARG  67   3.126 -17.549   5.503
  490    H    VAL  68           HN       VAL  68   0.031  -8.086   4.589
  491    HA   VAL  68           HA       VAL  68   0.431  -6.248   6.782
  492    HB   VAL  68           HB       VAL  68   0.475  -4.489   4.931
  493   HG11  VAL  68          HG11      VAL  68   2.403  -6.791   4.674
  494   HG12  VAL  68          HG12      VAL  68   2.520  -5.448   5.816
  495   HG13  VAL  68          HG13      VAL  68   2.673  -5.149   4.083
  496   HG21  VAL  68          HG21      VAL  68  -0.844  -5.693   3.251
  497   HG22  VAL  68          HG22      VAL  68   0.415  -6.921   3.132
  498   HG23  VAL  68          HG23      VAL  68   0.744  -5.263   2.617
  499    H    ASP  69           HN       ASP  69  -1.368  -5.967   7.955
  500    HA   ASP  69           HA       ASP  69  -3.918  -5.880   6.541
  501    HB2  ASP  69           HB2      ASP  69  -5.019  -6.162   8.693
  502    HB3  ASP  69           HB1      ASP  69  -3.735  -7.338   8.454
  503    H    THR  70           HN       THR  70  -1.769  -3.809   8.120
  504    HA   THR  70           HA       THR  70  -3.738  -1.656   7.869
  505    HB   THR  70           HB       THR  70  -2.354  -0.386   9.497
  506    HG1  THR  70           HG1      THR  70  -0.954  -2.870   9.750
  507   HG21  THR  70          HG21      THR  70  -3.283  -3.115  10.377
  508   HG22  THR  70          HG22      THR  70  -4.266  -1.653  10.294
  509   HG23  THR  70          HG23      THR  70  -2.959  -1.774  11.480
  510    HA   PRO  71           HA       PRO  71  -1.465   0.054   4.500
  511    HB2  PRO  71           HB2      PRO  71  -2.114   2.681   5.752
  512    HB3  PRO  71           HB1      PRO  71  -2.408   2.122   4.099
  513    HG2  PRO  71           HG2      PRO  71  -4.412   2.260   5.803
  514    HG3  PRO  71           HG1      PRO  71  -4.264   0.860   4.719
  515    HD2  PRO  71           HD2      PRO  71  -3.562   1.091   7.620
  516    HD3  PRO  71           HD1      PRO  71  -4.384  -0.232   6.770
  517    H    ARG  72           HN       ARG  72  -0.942   1.507   7.687
  518    HA   ARG  72           HA       ARG  72   1.533   2.690   7.209
  519    HB2  ARG  72           HB2      ARG  72   0.222   3.054   9.260
  520    HB3  ARG  72           HB1      ARG  72   0.603   1.420   9.788
  521    HG2  ARG  72           HG2      ARG  72   2.981   2.009   9.870
  522    HG3  ARG  72           HG1      ARG  72   2.585   3.650   9.356
  523    HD2  ARG  72           HD2      ARG  72   1.619   2.291  11.861
  524    HD3  ARG  72           HD1      ARG  72   2.897   3.498  11.780
  525    HE   ARG  72           HE       ARG  72   1.143   5.044  10.922
  526   HH11  ARG  72          HH11      ARG  72   0.215   2.277  12.978
  527   HH12  ARG  72          HH12      ARG  72  -1.119   3.071  13.646
  528   HH21  ARG  72          HH21      ARG  72  -0.717   6.102  11.855
  529   HH22  ARG  72          HH22      ARG  72  -1.749   5.249  12.903
  530    H    GLU  73           HN       GLU  73   0.810  -0.644   8.166
  531    HA   GLU  73           HA       GLU  73   3.469  -1.534   8.439
  532    HB2  GLU  73           HB2      GLU  73   1.500  -2.737   9.322
  533    HB3  GLU  73           HB1      GLU  73   0.978  -3.072   7.682
  534    HG2  GLU  73           HG2      GLU  73   1.993  -5.031   8.606
  535    HG3  GLU  73           HG1      GLU  73   3.034  -4.390   7.335
  536    H    LEU  74           HN       LEU  74   1.180  -1.558   5.755
  537    HA   LEU  74           HA       LEU  74   2.860  -2.914   3.928
  538    HB2  LEU  74           HB2      LEU  74   0.385  -2.781   3.735
  539    HB3  LEU  74           HB1      LEU  74   0.490  -1.071   3.430
  540    HG   LEU  74           HG       LEU  74  -0.045  -2.649   1.479
  541   HD11  LEU  74          HD11      LEU  74   0.536  -0.297   1.124
  542   HD12  LEU  74          HD12      LEU  74   1.238  -1.309  -0.138
  543   HD13  LEU  74          HD13      LEU  74   2.252  -0.700   1.170
  544   HD21  LEU  74          HD21      LEU  74   1.888  -3.605   0.303
  545   HD22  LEU  74          HD22      LEU  74   1.657  -4.323   1.899
  546   HD23  LEU  74          HD23      LEU  74   2.929  -3.129   1.647
  547    H    LEU  75           HN       LEU  75   2.312   0.472   4.602
  548    HA   LEU  75           HA       LEU  75   3.930   1.775   2.753
  549    HB2  LEU  75           HB2      LEU  75   2.471   2.937   4.285
  550    HB3  LEU  75           HB1      LEU  75   3.360   2.332   5.661
  551    HG   LEU  75           HG       LEU  75   5.310   3.713   4.915
  552   HD11  LEU  75          HD11      LEU  75   4.739   3.912   2.584
  553   HD12  LEU  75          HD12      LEU  75   4.899   5.508   3.334
  554   HD13  LEU  75          HD13      LEU  75   3.300   4.840   3.001
  555   HD21  LEU  75          HD21      LEU  75   2.741   5.181   5.468
  556   HD22  LEU  75          HD22      LEU  75   4.366   5.829   5.689
  557   HD23  LEU  75          HD23      LEU  75   3.817   4.475   6.674
  558    H    ASP  76           HN       ASP  76   4.728   0.645   5.992
  559    HA   ASP  76           HA       ASP  76   7.455   1.377   5.892
  560    HB2  ASP  76           HB2      ASP  76   6.077   1.149   7.954
  561    HB3  ASP  76           HB1      ASP  76   6.134  -0.597   7.744
  562    H    LEU  77           HN       LEU  77   5.737  -1.572   5.175
  563    HA   LEU  77           HA       LEU  77   7.882  -3.379   4.973
  564    HB2  LEU  77           HB2      LEU  77   5.418  -3.946   4.954
  565    HB3  LEU  77           HB1      LEU  77   5.309  -3.280   3.351
  566    HG   LEU  77           HG       LEU  77   5.254  -5.750   3.389
  567   HD11  LEU  77          HD11      LEU  77   6.016  -4.735   1.361
  568   HD12  LEU  77          HD12      LEU  77   6.889  -6.240   1.663
  569   HD13  LEU  77          HD13      LEU  77   7.670  -4.690   1.972
  570   HD21  LEU  77          HD21      LEU  77   8.068  -5.554   4.432
  571   HD22  LEU  77          HD22      LEU  77   7.274  -7.036   3.899
  572   HD23  LEU  77          HD23      LEU  77   6.666  -6.167   5.307
  573    H    ILE  78           HN       ILE  78   6.361  -1.190   2.649
  574    HA   ILE  78           HA       ILE  78   8.089  -1.927   0.534
  575    HB   ILE  78           HB       ILE  78   6.267   0.490   0.818
  576   HG12  ILE  78          HG12      ILE  78   6.001  -2.149  -0.609
  577   HG13  ILE  78          HG11      ILE  78   5.090  -1.619   0.795
  578   HG21  ILE  78          HG21      ILE  78   8.089   0.961  -0.788
  579   HG22  ILE  78          HG22      ILE  78   6.544   0.803  -1.612
  580   HG23  ILE  78          HG23      ILE  78   7.702  -0.526  -1.656
  581   HD11  ILE  78          HD11      ILE  78   4.948  -0.470  -1.973
  582   HD12  ILE  78          HD12      ILE  78   4.036   0.126  -0.582
  583   HD13  ILE  78          HD13      ILE  78   3.748  -1.504  -1.204
  584    H    ASN  79           HN       ASN  79   8.006   0.716   2.843
  585    HA   ASN  79           HA       ASN  79  10.203   2.134   1.842
  586    HB2  ASN  79           HB2      ASN  79   9.076   1.959   4.615
  587    HB3  ASN  79           HB1      ASN  79  10.476   2.956   4.252
  588   HD21  ASN  79          HD21      ASN  79   7.965   3.850   5.217
  589   HD22  ASN  79          HD22      ASN  79   7.297   4.900   4.011
  590    H    GLY  80           HN       GLY  80  10.143  -0.559   4.095
  591    HA2  GLY  80           HA2      GLY  80  12.913  -0.579   4.661
  592    HA3  GLY  80           HA1      GLY  80  11.834  -1.970   4.785
  593    H    ALA  81           HN       ALA  81  10.980  -1.982   2.112
  594    HA   ALA  81           HA       ALA  81  13.110  -3.442   0.912
  595    HB1  ALA  81           HB1      ALA  81  11.545  -3.798  -0.944
  596    HB2  ALA  81           HB2      ALA  81  10.446  -2.602  -0.258
  597    HB3  ALA  81           HB3      ALA  81  10.762  -4.103   0.604
  598    H    LEU  82           HN       LEU  82  11.763  -0.261   0.545
  599    HA   LEU  82           HA       LEU  82  12.946   0.478  -1.887
  600    HB2  LEU  82           HB2      LEU  82  12.236   2.265   0.436
  601    HB3  LEU  82           HB1      LEU  82  12.572   2.800  -1.198
  602    HG   LEU  82           HG       LEU  82  10.230   1.189  -0.241
  603   HD11  LEU  82          HD11      LEU  82  10.390   3.918  -1.468
  604   HD12  LEU  82          HD12      LEU  82  10.027   3.534   0.215
  605   HD13  LEU  82          HD13      LEU  82   8.910   3.053  -1.062
  606   HD21  LEU  82          HD21      LEU  82  10.947   0.313  -2.366
  607   HD22  LEU  82          HD22      LEU  82  10.956   1.937  -3.055
  608   HD23  LEU  82          HD23      LEU  82   9.437   1.205  -2.538
  609    H    ALA  83           HN       ALA  83  14.119   0.698   1.391
  610    HA   ALA  83           HA       ALA  83  16.483   2.122   0.796
  611    HB1  ALA  83           HB1      ALA  83  15.986   0.176   3.050
  612    HB2  ALA  83           HB2      ALA  83  15.598   1.897   3.075
  613    HB3  ALA  83           HB3      ALA  83  17.281   1.373   2.977
  614    H    GLU  84           HN       GLU  84  15.616  -1.179   0.405
  615    HA   GLU  84           HA       GLU  84  18.394  -2.029   0.162
  616    HB2  GLU  84           HB2      GLU  84  16.945  -3.291   1.649
  617    HB3  GLU  84           HB1      GLU  84  15.846  -3.623   0.326
  618    HG2  GLU  84           HG2      GLU  84  17.499  -4.991  -0.757
  619    HG3  GLU  84           HG1      GLU  84  18.698  -4.572   0.469
  620    H    ALA  85           HN       ALA  85  15.370  -2.204  -1.744
  621    HA   ALA  85           HA       ALA  85  16.916  -3.293  -3.972
  622    HB1  ALA  85           HB1      ALA  85  13.930  -3.108  -3.659
  623    HB2  ALA  85           HB2      ALA  85  14.924  -4.510  -3.256
  624    HB3  ALA  85           HB3      ALA  85  14.804  -3.965  -4.929
  625    H    ALA  86           HN       ALA  86  15.694  -0.256  -3.053
  626    HA   ALA  86           HA       ALA  86  15.486   0.539  -5.852
  627    HB1  ALA  86           HB1      ALA  86  13.505   1.066  -4.499
  628    HB2  ALA  86           HB2      ALA  86  14.309   2.538  -5.054
  629    HB3  ALA  86           HB3      ALA  86  14.514   1.994  -3.389
  630   H281  PSR  87          H28A      PSR  87  -8.617 -10.737  -6.401
  631   H282  PSR  87          H28B      PSR  87  -7.878  -9.602  -5.278
  632   H301  PSR  87          H30A      PSR  87  -6.857  -9.966  -7.890
  633   H302  PSR  87          H30B      PSR  87  -5.164 -10.368  -7.552
  634   H303  PSR  87          H30C      PSR  87  -5.959  -9.106  -6.625
  635   H311  PSR  87          H31A      PSR  87  -5.827 -11.604  -4.125
  636   H312  PSR  87          H31B      PSR  87  -5.481  -9.933  -4.569
  637   H313  PSR  87          H31C      PSR  87  -4.538 -11.246  -5.274
  638   H321  PSR  87          H32A      PSR  87  -5.586 -12.684  -7.283
  639   H331  PSR  87          H33A      PSR  87  -8.147 -13.284  -7.190
  640   H361  PSR  87          H36A      PSR  87  -4.915 -13.382  -4.961
  641   H371  PSR  87          H37A      PSR  87  -6.729 -15.257  -3.594
  642   H372  PSR  87          H37B      PSR  87  -5.237 -15.854  -4.292
  643   H381  PSR  87          H38A      PSR  87  -4.783 -15.457  -2.025
  644   H382  PSR  87          H38B      PSR  87  -3.968 -14.154  -2.923
  645   H411  PSR  87          H41A      PSR  87  -3.919 -12.732  -1.301
  646   H421  PSR  87          H42A      PSR  87  -6.256 -11.207  -0.707
  647   H422  PSR  87          H42B      PSR  87  -5.635 -12.108   0.668
  648   H431  PSR  87          H43A      PSR  87  -3.437 -11.019   0.383
  649   H432  PSR  87          H43B      PSR  87  -4.730  -9.847   0.685
  650   HC21  PSR  87          H2A       PSR  87  -2.795  -9.508  -3.878
  651   HC22  PSR  87          H2B       PSR  87  -2.613 -11.213  -4.293
  652   HC31  PSR  87          H3A       PSR  87  -0.318 -11.164  -3.423
  653   HC32  PSR  87          H3B       PSR  87  -0.512  -9.436  -3.072
  654   HC41  PSR  87          H4C       PSR  87  -0.749 -10.745  -5.780
  655   HC42  PSR  87          H4A       PSR  87   0.625  -9.803  -5.208
  656   HC43  PSR  87          H4B       PSR  87  -0.940  -9.023  -5.447
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  19.547   8.093   0.250
    2    H2   MET   1           HT2      MET   1  18.571   9.058  -0.687
    3    H3   MET   1           HT3      MET   1  20.237   9.260  -0.788
    4    HA   MET   1           HA       MET   1  19.396   8.038  -2.694
    5    HB2  MET   1           HB2      MET   1  20.716   6.153  -0.718
    6    HB3  MET   1           HB1      MET   1  20.586   5.863  -2.446
    7    HG2  MET   1           HG2      MET   1  21.973   7.821  -2.880
    8    HG3  MET   1           HG1      MET   1  22.087   8.124  -1.147
    9    HE1  MET   1           HE1      MET   1  23.896   4.428  -3.249
   10    HE2  MET   1           HE2      MET   1  23.044   5.718  -4.100
   11    HE3  MET   1           HE3      MET   1  22.163   4.649  -3.008
   12    H    ALA   2           HN       ALA   2  18.709   6.210   0.300
   13    HA   ALA   2           HA       ALA   2  16.582   4.762  -0.908
   14    HB1  ALA   2           HB1      ALA   2  17.269   5.175   2.012
   15    HB2  ALA   2           HB2      ALA   2  17.843   3.852   1.000
   16    HB3  ALA   2           HB3      ALA   2  16.128   3.985   1.387
   17    H    THR   3           HN       THR   3  15.099   6.074  -1.711
   18    HA   THR   3           HA       THR   3  14.094   8.329  -0.250
   19    HB   THR   3           HB       THR   3  14.420   8.551  -2.635
   20    HG1  THR   3           HG1      THR   3  12.368   9.176  -3.351
   21   HG21  THR   3          HG21      THR   3  12.500   6.246  -3.043
   22   HG22  THR   3          HG22      THR   3  14.233   6.238  -3.370
   23   HG23  THR   3          HG23      THR   3  13.160   7.260  -4.328
   24    H    LEU   4           HN       LEU   4  12.818   7.873   1.419
   25    HA   LEU   4           HA       LEU   4  11.165   5.501   1.366
   26    HB2  LEU   4           HB2      LEU   4  11.644   7.492   3.577
   27    HB3  LEU   4           HB1      LEU   4  10.687   6.032   3.729
   28    HG   LEU   4           HG       LEU   4  13.657   6.175   3.209
   29   HD11  LEU   4          HD11      LEU   4  12.078   5.191   5.559
   30   HD12  LEU   4          HD12      LEU   4  13.041   6.675   5.501
   31   HD13  LEU   4          HD13      LEU   4  13.825   5.093   5.379
   32   HD21  LEU   4          HD21      LEU   4  11.859   3.771   3.481
   33   HD22  LEU   4          HD22      LEU   4  13.619   3.732   3.378
   34   HD23  LEU   4          HD23      LEU   4  12.666   4.298   2.005
   35    H    LEU   5           HN       LEU   5   8.956   5.572   2.030
   36    HA   LEU   5           HA       LEU   5   7.643   7.731   0.597
   37    HB2  LEU   5           HB2      LEU   5   6.664   5.053   1.486
   38    HB3  LEU   5           HB1      LEU   5   5.721   6.211   0.563
   39    HG   LEU   5           HG       LEU   5   8.200   4.765  -0.340
   40   HD11  LEU   5          HD11      LEU   5   6.707   3.783  -2.003
   41   HD12  LEU   5          HD12      LEU   5   5.343   4.634  -1.280
   42   HD13  LEU   5          HD13      LEU   5   6.197   3.395  -0.359
   43   HD21  LEU   5          HD21      LEU   5   7.871   5.906  -2.471
   44   HD22  LEU   5          HD22      LEU   5   8.196   7.046  -1.164
   45   HD23  LEU   5          HD23      LEU   5   6.551   6.839  -1.765
   46    H    THR   6           HN       THR   6   6.386   9.149   1.520
   47    HA   THR   6           HA       THR   6   5.712   8.802   4.317
   48    HB   THR   6           HB       THR   6   4.952  11.206   4.147
   49    HG1  THR   6           HG1      THR   6   5.307  12.336   2.317
   50   HG21  THR   6          HG21      THR   6   7.208  12.171   4.044
   51   HG22  THR   6          HG22      THR   6   7.814  10.678   3.328
   52   HG23  THR   6          HG23      THR   6   7.195  10.678   4.979
   53    H    THR   7           HN       THR   7   3.413   9.749   4.822
   54    HA   THR   7           HA       THR   7   1.482   8.086   3.877
   55    HB   THR   7           HB       THR   7   0.955  10.856   4.922
   56    HG1  THR   7           HG1      THR   7   1.589  10.140   6.900
   57   HG21  THR   7          HG21      THR   7  -0.856   9.677   6.093
   58   HG22  THR   7          HG22      THR   7  -0.320   8.148   5.394
   59   HG23  THR   7          HG23      THR   7  -0.972   9.413   4.354
   60    H    ASP   8           HN       ASP   8   2.331  11.343   2.748
   61    HA   ASP   8           HA       ASP   8   0.133  11.886   1.134
   62    HB2  ASP   8           HB2      ASP   8   2.971  12.853   0.953
   63    HB3  ASP   8           HB1      ASP   8   1.686  13.441  -0.093
   64    H    ASP   9           HN       ASP   9   3.233  10.442   0.175
   65    HA   ASP   9           HA       ASP   9   2.457  10.185  -2.552
   66    HB2  ASP   9           HB2      ASP   9   4.847  10.181  -1.806
   67    HB3  ASP   9           HB1      ASP   9   4.587   8.574  -1.122
   68    H    LEU  10           HN       LEU  10   2.408   8.074   0.214
   69    HA   LEU  10           HA       LEU  10   1.624   5.691  -1.056
   70    HB2  LEU  10           HB2      LEU  10   2.502   5.800   1.236
   71    HB3  LEU  10           HB1      LEU  10   1.059   6.649   1.748
   72    HG   LEU  10           HG       LEU  10  -0.247   4.617   1.030
   73   HD11  LEU  10          HD11      LEU  10   0.944   2.492   0.938
   74   HD12  LEU  10          HD12      LEU  10   2.479   3.360   0.966
   75   HD13  LEU  10          HD13      LEU  10   1.371   3.569  -0.391
   76   HD21  LEU  10          HD21      LEU  10   1.725   4.320   3.282
   77   HD22  LEU  10          HD22      LEU  10   0.234   3.397   3.091
   78   HD23  LEU  10          HD23      LEU  10   0.167   5.139   3.358
   79    H    ARG  11           HN       ARG  11  -0.204   8.383   0.316
   80    HA   ARG  11           HA       ARG  11  -2.769   7.368   0.305
   81    HB2  ARG  11           HB2      ARG  11  -1.957   9.682   1.124
   82    HB3  ARG  11           HB1      ARG  11  -2.217  10.212  -0.533
   83    HG2  ARG  11           HG2      ARG  11  -4.575   9.427  -0.349
   84    HG3  ARG  11           HG1      ARG  11  -4.272   9.094   1.356
   85    HD2  ARG  11           HD2      ARG  11  -5.307  11.206   1.311
   86    HD3  ARG  11           HD1      ARG  11  -3.590  11.533   1.551
   87    HE   ARG  11           HE       ARG  11  -3.821  11.665  -1.109
   88   HH11  ARG  11          HH11      ARG  11  -5.633  13.291   1.499
   89   HH12  ARG  11          HH12      ARG  11  -6.140  14.573   0.507
   90   HH21  ARG  11          HH21      ARG  11  -4.499  13.498  -2.434
   91   HH22  ARG  11          HH22      ARG  11  -5.473  14.702  -1.725
   92    H    ARG  12           HN       ARG  12  -0.967   8.866  -2.296
   93    HA   ARG  12           HA       ARG  12  -3.002   8.978  -4.212
   94    HB2  ARG  12           HB2      ARG  12  -0.048   8.621  -4.712
   95    HB3  ARG  12           HB1      ARG  12  -1.240   9.144  -5.899
   96    HG2  ARG  12           HG2      ARG  12  -1.717  11.095  -4.399
   97    HG3  ARG  12           HG1      ARG  12  -0.326  10.564  -3.445
   98    HD2  ARG  12           HD2      ARG  12  -0.257  11.291  -6.369
   99    HD3  ARG  12           HD1      ARG  12   0.240  12.349  -5.052
  100    HE   ARG  12           HE       ARG  12   1.804  10.268  -4.614
  101   HH11  ARG  12          HH11      ARG  12   0.987  11.688  -7.770
  102   HH12  ARG  12          HH12      ARG  12   2.562  11.520  -8.398
  103   HH21  ARG  12          HH21      ARG  12   3.970  10.046  -5.503
  104   HH22  ARG  12          HH22      ARG  12   4.301  10.633  -7.067
  105    H    ALA  13           HN       ALA  13  -0.744   6.445  -3.428
  106    HA   ALA  13           HA       ALA  13  -1.479   4.696  -5.537
  107    HB1  ALA  13           HB1      ALA  13  -0.326   2.955  -4.268
  108    HB2  ALA  13           HB2      ALA  13  -0.285   4.005  -2.851
  109    HB3  ALA  13           HB3      ALA  13   0.626   4.439  -4.298
  110    H    LEU  14           HN       LEU  14  -2.499   4.921  -2.160
  111    HA   LEU  14           HA       LEU  14  -4.372   2.799  -2.271
  112    HB2  LEU  14           HB2      LEU  14  -3.977   5.075  -0.368
  113    HB3  LEU  14           HB1      LEU  14  -5.421   4.099  -0.254
  114    HG   LEU  14           HG       LEU  14  -3.803   3.383   1.372
  115   HD11  LEU  14          HD11      LEU  14  -5.205   1.674   0.466
  116   HD12  LEU  14          HD12      LEU  14  -3.610   1.025   0.843
  117   HD13  LEU  14          HD13      LEU  14  -4.050   1.374  -0.830
  118   HD21  LEU  14          HD21      LEU  14  -1.757   4.110   0.304
  119   HD22  LEU  14          HD22      LEU  14  -1.937   2.859  -0.925
  120   HD23  LEU  14          HD23      LEU  14  -1.654   2.412   0.759
  121    H    VAL  15           HN       VAL  15  -4.723   6.230  -2.864
  122    HA   VAL  15           HA       VAL  15  -7.489   6.160  -3.348
  123    HB   VAL  15           HB       VAL  15  -5.293   8.016  -4.332
  124   HG11  VAL  15          HG11      VAL  15  -8.269   8.262  -4.793
  125   HG12  VAL  15          HG12      VAL  15  -7.012   8.051  -6.032
  126   HG13  VAL  15          HG13      VAL  15  -7.085   9.537  -5.089
  127   HG21  VAL  15          HG21      VAL  15  -7.545   8.379  -2.370
  128   HG22  VAL  15          HG22      VAL  15  -6.358   9.606  -2.811
  129   HG23  VAL  15          HG23      VAL  15  -5.843   8.141  -1.976
  130    H    GLU  16           HN       GLU  16  -4.761   5.855  -5.573
  131    HA   GLU  16           HA       GLU  16  -5.958   5.509  -8.027
  132    HB2  GLU  16           HB2      GLU  16  -3.575   5.749  -7.719
  133    HB3  GLU  16           HB1      GLU  16  -3.486   4.189  -6.918
  134    HG2  GLU  16           HG2      GLU  16  -2.652   3.916  -9.111
  135    HG3  GLU  16           HG1      GLU  16  -4.231   3.142  -9.055
  136    H    SER  17           HN       SER  17  -5.051   2.806  -5.784
  137    HA   SER  17           HA       SER  17  -6.143   0.917  -7.580
  138    HB2  SER  17           HB2      SER  17  -5.612  -0.680  -5.593
  139    HB3  SER  17           HB1      SER  17  -4.318   0.156  -6.428
  140    HG   SER  17           HG       SER  17  -5.481   0.936  -3.949
  141    H    ALA  18           HN       ALA  18  -7.600   2.814  -5.218
  142    HA   ALA  18           HA       ALA  18  -9.816   0.961  -4.813
  143    HB1  ALA  18           HB1      ALA  18  -9.472   3.801  -3.855
  144    HB2  ALA  18           HB2      ALA  18  -8.990   2.379  -2.950
  145    HB3  ALA  18           HB3      ALA  18 -10.700   2.657  -3.308
  146    H    GLY  19           HN       GLY  19  -8.982   3.918  -6.431
  147    HA2  GLY  19           HA2      GLY  19 -10.249   3.959  -8.679
  148    HA3  GLY  19           HA1      GLY  19 -11.627   4.219  -7.599
  149    H    GLU  20           HN       GLU  20  -8.792   5.594  -8.977
  150    HA   GLU  20           HA       GLU  20  -8.540   7.740  -7.170
  151    HB2  GLU  20           HB2      GLU  20  -6.640   6.971  -8.505
  152    HB3  GLU  20           HB1      GLU  20  -7.461   7.459  -9.978
  153    HG2  GLU  20           HG2      GLU  20  -7.307   9.780  -9.317
  154    HG3  GLU  20           HG1      GLU  20  -6.575   9.317  -7.783
  155    H    THR  21           HN       THR  21 -10.431   7.254  -9.771
  156    HA   THR  21           HA       THR  21 -11.820   9.735  -9.186
  157    HB   THR  21           HB       THR  21 -11.208   8.874 -12.046
  158    HG1  THR  21           HG1      THR  21  -9.807  10.199 -10.254
  159   HG21  THR  21          HG21      THR  21 -12.571  11.362 -10.959
  160   HG22  THR  21          HG22      THR  21 -13.388  10.043 -11.792
  161   HG23  THR  21          HG23      THR  21 -12.222  11.042 -12.658
  162    H    ASP  22           HN       ASP  22 -12.971   8.198  -8.018
  163    HA   ASP  22           HA       ASP  22 -14.979   6.767  -9.629
  164    HB2  ASP  22           HB2      ASP  22 -13.469   5.069  -8.808
  165    HB3  ASP  22           HB1      ASP  22 -13.561   5.712  -7.179
  166    H    GLY  23           HN       GLY  23 -14.143   8.102  -6.477
  167    HA2  GLY  23           HA2      GLY  23 -15.636   9.673  -5.422
  168    HA3  GLY  23           HA1      GLY  23 -16.981   8.807  -6.153
  169    H    THR  24           HN       THR  24 -16.127   6.158  -5.536
  170    HA   THR  24           HA       THR  24 -16.443   6.298  -2.661
  171    HB   THR  24           HB       THR  24 -17.308   3.841  -2.978
  172    HG1  THR  24           HG1      THR  24 -16.868   4.389  -5.469
  173   HG21  THR  24          HG21      THR  24 -18.954   6.251  -3.743
  174   HG22  THR  24          HG22      THR  24 -18.636   5.689  -2.102
  175   HG23  THR  24          HG23      THR  24 -19.598   4.701  -3.202
  176    H    ASP  25           HN       ASP  25 -14.175   6.694  -2.907
  177    HA   ASP  25           HA       ASP  25 -12.688   4.197  -2.585
  178    HB2  ASP  25           HB2      ASP  25 -10.682   5.384  -3.368
  179    HB3  ASP  25           HB1      ASP  25 -11.931   5.440  -4.603
  180    H    LEU  26           HN       LEU  26 -10.543   5.086  -1.330
  181    HA   LEU  26           HA       LEU  26 -11.645   5.798   1.198
  182    HB2  LEU  26           HB2      LEU  26  -9.258   5.552   2.032
  183    HB3  LEU  26           HB1      LEU  26 -10.020   4.134   1.353
  184    HG   LEU  26           HG       LEU  26  -8.737   4.852  -0.827
  185   HD11  LEU  26          HD11      LEU  26  -7.893   6.963  -0.036
  186   HD12  LEU  26          HD12      LEU  26  -6.580   5.839  -0.408
  187   HD13  LEU  26          HD13      LEU  26  -7.035   6.142   1.271
  188   HD21  LEU  26          HD21      LEU  26  -6.851   3.472  -0.145
  189   HD22  LEU  26          HD22      LEU  26  -8.396   2.773   0.324
  190   HD23  LEU  26          HD23      LEU  26  -7.384   3.574   1.531
  191    H    SER  27           HN       SER  27  -9.471   7.437  -1.005
  192    HA   SER  27           HA       SER  27  -8.985   9.642  -1.373
  193    HB2  SER  27           HB2      SER  27 -11.344  10.140   0.345
  194    HB3  SER  27           HB1      SER  27 -10.643  11.292  -0.797
  195    HG   SER  27           HG       SER  27 -11.150   9.043  -2.122
  196    H    GLY  28           HN       GLY  28  -7.976   8.298   1.089
  197    HA2  GLY  28           HA2      GLY  28  -6.289   9.381   2.510
  198    HA3  GLY  28           HA1      GLY  28  -7.436  10.713   2.707
  199    H    ASP  29           HN       ASP  29  -6.718   9.887   5.038
  200    HA   ASP  29           HA       ASP  29  -7.096   8.697   6.938
  201    HB2  ASP  29           HB2      ASP  29  -9.919   9.123   5.938
  202    HB3  ASP  29           HB1      ASP  29  -9.590   8.359   7.489
  203    H    PHE  30           HN       PHE  30  -6.010   6.920   6.370
  204    HA   PHE  30           HA       PHE  30  -7.600   4.557   5.727
  205    HB2  PHE  30           HB2      PHE  30  -6.679   4.242   3.432
  206    HB3  PHE  30           HB1      PHE  30  -7.210   5.868   3.619
  207    HD1  PHE  30           HD2      PHE  30  -5.705   7.759   3.821
  208    HD2  PHE  30           HD1      PHE  30  -4.244   3.816   3.201
  209    HE1  PHE  30           HE2      PHE  30  -3.509   8.668   3.220
  210    HE2  PHE  30           HE1      PHE  30  -2.042   4.729   2.605
  211    HZ   PHE  30           HZ       PHE  30  -1.673   7.153   2.617
  212    H    LEU  31           HN       LEU  31  -4.528   6.119   6.393
  213    HA   LEU  31           HA       LEU  31  -2.718   4.072   6.153
  214    HB2  LEU  31           HB2      LEU  31  -2.187   6.444   6.383
  215    HB3  LEU  31           HB1      LEU  31  -2.616   6.366   8.079
  216    HG   LEU  31           HG       LEU  31  -0.777   4.750   8.409
  217   HD11  LEU  31          HD11      LEU  31  -0.650   3.880   6.131
  218   HD12  LEU  31          HD12      LEU  31   0.907   4.532   6.642
  219   HD13  LEU  31          HD13      LEU  31  -0.122   5.457   5.549
  220   HD21  LEU  31          HD21      LEU  31  -0.037   7.389   7.177
  221   HD22  LEU  31          HD22      LEU  31   0.998   6.402   8.212
  222   HD23  LEU  31          HD23      LEU  31  -0.487   7.104   8.859
  223    H    ASP  32           HN       ASP  32  -4.589   4.946   9.038
  224    HA   ASP  32           HA       ASP  32  -3.222   2.795  10.506
  225    HB2  ASP  32           HB2      ASP  32  -5.078   4.934  11.592
  226    HB3  ASP  32           HB1      ASP  32  -4.103   3.818  12.530
  227    H    LEU  33           HN       LEU  33  -5.735   3.118   8.607
  228    HA   LEU  33           HA       LEU  33  -7.761   1.793  10.211
  229    HB2  LEU  33           HB2      LEU  33  -8.226   3.753   8.714
  230    HB3  LEU  33           HB1      LEU  33  -7.821   2.742   7.350
  231    HG   LEU  33           HG       LEU  33  -9.758   1.344   7.754
  232   HD11  LEU  33          HD11      LEU  33 -10.238   3.159  10.115
  233   HD12  LEU  33          HD12      LEU  33  -9.743   1.468  10.199
  234   HD13  LEU  33          HD13      LEU  33 -11.324   1.894   9.542
  235   HD21  LEU  33          HD21      LEU  33 -10.425   4.283   7.898
  236   HD22  LEU  33          HD22      LEU  33 -11.502   3.000   7.349
  237   HD23  LEU  33          HD23      LEU  33 -10.044   3.380   6.432
  238    H    ARG  34           HN       ARG  34  -8.615  -0.299   9.577
  239    HA   ARG  34           HA       ARG  34  -6.610  -2.045   8.454
  240    HB2  ARG  34           HB2      ARG  34  -8.594  -2.433  10.278
  241    HB3  ARG  34           HB1      ARG  34  -9.424  -2.982   8.836
  242    HG2  ARG  34           HG2      ARG  34  -6.795  -4.081   9.823
  243    HG3  ARG  34           HG1      ARG  34  -8.364  -4.791  10.165
  244    HD2  ARG  34           HD2      ARG  34  -8.690  -5.322   7.845
  245    HD3  ARG  34           HD1      ARG  34  -7.260  -4.395   7.382
  246    HE   ARG  34           HE       ARG  34  -6.489  -6.308   9.235
  247   HH11  ARG  34          HH11      ARG  34  -7.672  -6.312   5.799
  248   HH12  ARG  34          HH12      ARG  34  -6.759  -7.701   5.467
  249   HH21  ARG  34          HH21      ARG  34  -5.340  -8.279   8.562
  250   HH22  ARG  34          HH22      ARG  34  -5.500  -8.798   6.953
  251    H    PHE  35           HN       PHE  35  -6.647  -2.955   6.392
  252    HA   PHE  35           HA       PHE  35  -7.560  -1.551   4.247
  253    HB2  PHE  35           HB2      PHE  35  -6.913  -4.467   4.430
  254    HB3  PHE  35           HB1      PHE  35  -7.405  -3.741   2.911
  255    HD1  PHE  35           HD2      PHE  35  -6.005  -1.857   1.986
  256    HD2  PHE  35           HD1      PHE  35  -4.749  -4.288   5.229
  257    HE1  PHE  35           HE2      PHE  35  -3.689  -1.141   1.623
  258    HE2  PHE  35           HE1      PHE  35  -2.425  -3.577   4.880
  259    HZ   PHE  35           HZ       PHE  35  -1.894  -2.041   2.955
  260    H    GLU  36           HN       GLU  36  -9.448  -4.038   5.848
  261    HA   GLU  36           HA       GLU  36 -11.485  -4.359   3.995
  262    HB2  GLU  36           HB2      GLU  36 -11.683  -4.401   7.002
  263    HB3  GLU  36           HB1      GLU  36 -12.874  -5.068   5.894
  264    HG2  GLU  36           HG2      GLU  36 -11.172  -6.626   5.044
  265    HG3  GLU  36           HG1      GLU  36 -10.032  -5.987   6.226
  266    H    ASP  37           HN       ASP  37 -10.993  -1.787   6.346
  267    HA   ASP  37           HA       ASP  37 -13.642  -0.692   5.986
  268    HB2  ASP  37           HB2      ASP  37 -11.252   0.282   7.559
  269    HB3  ASP  37           HB1      ASP  37 -12.800   1.105   7.516
  270    H    ILE  38           HN       ILE  38 -10.714  -0.482   4.328
  271    HA   ILE  38           HA       ILE  38 -11.516   2.123   3.264
  272    HB   ILE  38           HB       ILE  38  -9.292   2.359   2.227
  273   HG12  ILE  38          HG12      ILE  38  -8.584  -0.163   3.742
  274   HG13  ILE  38          HG11      ILE  38  -8.735  -0.030   1.998
  275   HG21  ILE  38          HG21      ILE  38  -9.687   3.367   4.368
  276   HG22  ILE  38          HG22      ILE  38  -8.025   2.793   4.271
  277   HG23  ILE  38          HG23      ILE  38  -9.221   1.879   5.191
  278   HD11  ILE  38          HD11      ILE  38  -6.697   1.385   3.707
  279   HD12  ILE  38          HD12      ILE  38  -6.847   1.515   1.954
  280   HD13  ILE  38          HD13      ILE  38  -6.413  -0.029   2.689
  281    H    GLY  39           HN       GLY  39 -12.218  -0.846   2.669
  282    HA2  GLY  39           HA2      GLY  39 -13.516  -1.530   0.879
  283    HA3  GLY  39           HA1      GLY  39 -12.853  -0.212  -0.078
  284    H    TYR  40           HN       TYR  40 -10.633  -2.255   1.628
  285    HA   TYR  40           HA       TYR  40  -9.972  -3.373  -0.971
  286    HB2  TYR  40           HB2      TYR  40  -7.982  -3.061   1.363
  287    HB3  TYR  40           HB1      TYR  40  -7.776  -3.889  -0.109
  288    HD1  TYR  40           HD2      TYR  40  -9.710  -0.854  -0.483
  289    HD2  TYR  40           HD1      TYR  40  -5.824  -2.530  -0.459
  290    HE1  TYR  40           HE2      TYR  40  -8.902   1.034  -1.770
  291    HE2  TYR  40           HE1      TYR  40  -5.009  -0.646  -1.760
  292    HH   TYR  40           HH       TYR  40  -6.811   2.158  -2.331
  293    H    ASP  41           HN       ASP  41 -10.642  -5.206  -1.340
  294    HA   ASP  41           HA       ASP  41 -11.256  -7.128   0.744
  295    HB2  ASP  41           HB2      ASP  41 -11.263  -7.475  -2.276
  296    HB3  ASP  41           HB1      ASP  41 -11.965  -8.580  -1.113
  297    H    SER  42           HN       SER  42  -9.119  -6.739  -1.989
  298    HA   SER  42           HA       SER  42  -6.761  -7.768  -0.909
  299    HB2  SER  42           HB2      SER  42  -6.704  -9.984  -2.167
  300    HB3  SER  42           HB1      SER  42  -7.807  -9.947  -0.778
  301    H    LEU  43           HN       LEU  43  -8.758  -7.763  -3.876
  302    HA   LEU  43           HA       LEU  43  -6.759  -7.656  -5.808
  303    HB2  LEU  43           HB2      LEU  43  -9.308  -7.892  -6.100
  304    HB3  LEU  43           HB1      LEU  43  -9.372  -6.150  -6.005
  305    HG   LEU  43           HG       LEU  43  -9.553  -6.903  -8.305
  306   HD11  LEU  43          HD11      LEU  43  -7.771  -5.646  -9.413
  307   HD12  LEU  43          HD12      LEU  43  -6.896  -5.546  -7.892
  308   HD13  LEU  43          HD13      LEU  43  -8.462  -4.766  -8.053
  309   HD21  LEU  43          HD21      LEU  43  -8.423  -9.019  -8.130
  310   HD22  LEU  43          HD22      LEU  43  -6.876  -8.206  -7.904
  311   HD23  LEU  43          HD23      LEU  43  -7.730  -8.066  -9.440
  312    H    ALA  44           HN       ALA  44  -8.460  -4.944  -4.279
  313    HA   ALA  44           HA       ALA  44  -7.007  -2.971  -5.605
  314    HB1  ALA  44           HB1      ALA  44  -8.342  -2.764  -2.917
  315    HB2  ALA  44           HB2      ALA  44  -9.139  -2.564  -4.478
  316    HB3  ALA  44           HB3      ALA  44  -7.891  -1.425  -3.970
  317    H    LEU  45           HN       LEU  45  -6.318  -4.659  -2.586
  318    HA   LEU  45           HA       LEU  45  -4.230  -2.960  -1.671
  319    HB2  LEU  45           HB2      LEU  45  -5.433  -4.649  -0.257
  320    HB3  LEU  45           HB1      LEU  45  -4.631  -5.922  -1.136
  321    HG   LEU  45           HG       LEU  45  -3.165  -3.903   0.608
  322   HD11  LEU  45          HD11      LEU  45  -4.716  -5.223   1.923
  323   HD12  LEU  45          HD12      LEU  45  -3.027  -5.618   2.246
  324   HD13  LEU  45          HD13      LEU  45  -4.012  -6.710   1.255
  325   HD21  LEU  45          HD21      LEU  45  -2.294  -6.588  -0.475
  326   HD22  LEU  45          HD22      LEU  45  -1.347  -5.538   0.585
  327   HD23  LEU  45          HD23      LEU  45  -1.730  -5.022  -1.058
  328    H    MET  46           HN       MET  46  -4.310  -5.858  -3.477
  329    HA   MET  46           HA       MET  46  -1.489  -6.139  -3.803
  330    HB2  MET  46           HB2      MET  46  -1.862  -7.915  -5.328
  331    HB3  MET  46           HB1      MET  46  -3.204  -7.984  -4.209
  332    HG2  MET  46           HG2      MET  46  -4.234  -8.365  -6.234
  333    HG3  MET  46           HG1      MET  46  -4.437  -6.621  -6.004
  334    HE1  MET  46           HE1      MET  46  -5.005  -6.320  -8.564
  335    HE2  MET  46           HE2      MET  46  -4.808  -8.056  -8.817
  336    HE3  MET  46           HE3      MET  46  -3.984  -6.912  -9.874
  337    H    GLU  47           HN       GLU  47  -3.850  -4.352  -5.555
  338    HA   GLU  47           HA       GLU  47  -2.224  -3.683  -7.778
  339    HB2  GLU  47           HB2      GLU  47  -4.625  -3.704  -7.987
  340    HB3  GLU  47           HB1      GLU  47  -4.803  -2.573  -6.666
  341    HG2  GLU  47           HG2      GLU  47  -5.255  -1.590  -8.848
  342    HG3  GLU  47           HG1      GLU  47  -3.938  -0.798  -8.004
  343    H    THR  48           HN       THR  48  -2.935  -2.140  -4.635
  344    HA   THR  48           HA       THR  48  -1.559   0.316  -4.954
  345    HB   THR  48           HB       THR  48  -1.527  -1.424  -2.472
  346    HG1  THR  48           HG1      THR  48  -3.664   0.039  -3.613
  347   HG21  THR  48          HG21      THR  48  -0.231   0.636  -2.377
  348   HG22  THR  48          HG22      THR  48  -1.632   0.730  -1.310
  349   HG23  THR  48          HG23      THR  48  -1.649   1.562  -2.865
  350    H    ALA  49           HN       ALA  49  -0.524  -2.849  -3.768
  351    HA   ALA  49           HA       ALA  49   2.166  -2.308  -3.370
  352    HB1  ALA  49           HB1      ALA  49   2.514  -4.724  -3.564
  353    HB2  ALA  49           HB2      ALA  49   0.905  -4.900  -4.266
  354    HB3  ALA  49           HB3      ALA  49   1.083  -4.366  -2.591
  355    H    ALA  50           HN       ALA  50   0.601  -3.769  -6.217
  356    HA   ALA  50           HA       ALA  50   2.744  -3.985  -7.931
  357    HB1  ALA  50           HB1      ALA  50  -0.075  -3.236  -8.695
  358    HB2  ALA  50           HB2      ALA  50   0.506  -4.873  -8.392
  359    HB3  ALA  50           HB3      ALA  50   1.140  -3.949  -9.755
  360    H    ARG  51           HN       ARG  51   0.775  -1.157  -7.335
  361    HA   ARG  51           HA       ARG  51   1.829   0.543  -9.309
  362    HB2  ARG  51           HB2      ARG  51   0.477   1.006  -6.676
  363    HB3  ARG  51           HB1      ARG  51   0.947   2.389  -7.616
  364    HG2  ARG  51           HG2      ARG  51  -0.892   0.180  -8.514
  365    HG3  ARG  51           HG1      ARG  51  -1.399   1.758  -7.915
  366    HD2  ARG  51           HD2      ARG  51  -0.504   2.868  -9.784
  367    HD3  ARG  51           HD1      ARG  51   0.414   1.462 -10.306
  368    HE   ARG  51           HE       ARG  51  -1.990   0.489 -10.450
  369   HH11  ARG  51          HH11      ARG  51  -0.988   3.771 -11.423
  370   HH12  ARG  51          HH12      ARG  51  -1.980   3.795 -12.812
  371   HH21  ARG  51          HH21      ARG  51  -3.325   0.559 -12.410
  372   HH22  ARG  51          HH22      ARG  51  -3.326   1.947 -13.377
  373    H    LEU  52           HN       LEU  52   2.629   0.377  -5.869
  374    HA   LEU  52           HA       LEU  52   4.785   2.189  -6.145
  375    HB2  LEU  52           HB2      LEU  52   4.127   0.329  -3.873
  376    HB3  LEU  52           HB1      LEU  52   5.306   1.626  -3.809
  377    HG   LEU  52           HG       LEU  52   2.335   1.975  -4.229
  378   HD11  LEU  52          HD11      LEU  52   2.366   3.016  -2.031
  379   HD12  LEU  52          HD12      LEU  52   4.078   2.626  -1.872
  380   HD13  LEU  52          HD13      LEU  52   2.881   1.331  -1.963
  381   HD21  LEU  52          HD21      LEU  52   3.602   3.680  -5.419
  382   HD22  LEU  52          HD22      LEU  52   4.518   4.042  -3.954
  383   HD23  LEU  52          HD23      LEU  52   2.786   4.373  -4.016
  384    H    GLU  53           HN       GLU  53   4.624  -1.341  -6.057
  385    HA   GLU  53           HA       GLU  53   7.340  -1.927  -5.906
  386    HB2  GLU  53           HB2      GLU  53   5.155  -3.386  -7.403
  387    HB3  GLU  53           HB1      GLU  53   6.779  -4.011  -7.196
  388    HG2  GLU  53           HG2      GLU  53   6.411  -4.005  -4.726
  389    HG3  GLU  53           HG1      GLU  53   4.777  -3.441  -5.033
  390    H    SER  54           HN       SER  54   5.323  -1.283  -8.696
  391    HA   SER  54           HA       SER  54   7.256  -1.664 -10.670
  392    HB2  SER  54           HB2      SER  54   4.863  -1.646 -11.146
  393    HB3  SER  54           HB1      SER  54   4.758   0.045 -10.668
  394    HG   SER  54           HG       SER  54   5.770  -1.125 -12.980
  395    H    ARG  55           HN       ARG  55   6.147   1.363  -9.111
  396    HA   ARG  55           HA       ARG  55   7.811   3.056 -10.655
  397    HB2  ARG  55           HB2      ARG  55   5.801   3.850  -9.431
  398    HB3  ARG  55           HB1      ARG  55   6.674   3.650  -7.918
  399    HG2  ARG  55           HG2      ARG  55   8.398   5.260  -8.839
  400    HG3  ARG  55           HG1      ARG  55   7.262   5.593 -10.145
  401    HD2  ARG  55           HD2      ARG  55   6.823   6.036  -7.191
  402    HD3  ARG  55           HD1      ARG  55   7.063   7.274  -8.419
  403    HE   ARG  55           HE       ARG  55   4.915   6.078  -9.359
  404   HH11  ARG  55          HH11      ARG  55   5.654   7.202  -6.057
  405   HH12  ARG  55          HH12      ARG  55   4.075   7.401  -5.565
  406   HH21  ARG  55          HH21      ARG  55   2.684   6.304  -8.726
  407   HH22  ARG  55          HH22      ARG  55   2.240   6.872  -7.208
  408    H    TYR  56           HN       TYR  56   8.358   1.599  -7.382
  409    HA   TYR  56           HA       TYR  56  10.770   3.116  -7.190
  410    HB2  TYR  56           HB2      TYR  56   9.180   1.462  -5.283
  411    HB3  TYR  56           HB1      TYR  56  10.691   2.267  -4.886
  412    HD1  TYR  56           HD2      TYR  56  10.799   4.798  -5.224
  413    HD2  TYR  56           HD1      TYR  56   7.150   2.626  -5.206
  414    HE1  TYR  56           HE2      TYR  56   9.564   6.882  -4.880
  415    HE2  TYR  56           HE1      TYR  56   5.903   4.705  -4.872
  416    HH   TYR  56           HH       TYR  56   6.228   6.999  -4.053
  417    H    GLY  57           HN       GLY  57   9.903   0.044  -8.267
  418    HA2  GLY  57           HA2      GLY  57  11.285  -1.654  -8.971
  419    HA3  GLY  57           HA1      GLY  57  12.661  -0.725  -8.389
  420    H    VAL  58           HN       VAL  58   9.806  -2.000  -6.783
  421    HA   VAL  58           HA       VAL  58  11.577  -3.556  -5.063
  422    HB   VAL  58           HB       VAL  58  10.146  -3.140  -3.077
  423   HG11  VAL  58          HG11      VAL  58  10.856  -0.849  -2.615
  424   HG12  VAL  58          HG12      VAL  58  11.223  -0.627  -4.325
  425   HG13  VAL  58          HG13      VAL  58  12.137  -1.799  -3.372
  426   HG21  VAL  58          HG21      VAL  58   8.751  -1.097  -4.814
  427   HG22  VAL  58          HG22      VAL  58   8.508  -1.307  -3.079
  428   HG23  VAL  58          HG23      VAL  58   8.047  -2.592  -4.198
  429    H    SER  59           HN       SER  59  10.030  -5.143  -3.651
  430    HA   SER  59           HA       SER  59   7.919  -6.134  -5.356
  431    HB2  SER  59           HB2      SER  59  10.296  -7.813  -4.547
  432    HB3  SER  59           HB1      SER  59   8.839  -8.418  -5.335
  433    HG   SER  59           HG       SER  59   9.738  -6.336  -6.696
  434    H    ILE  60           HN       ILE  60   6.351  -7.167  -4.289
  435    HA   ILE  60           HA       ILE  60   6.711  -7.705  -1.416
  436    HB   ILE  60           HB       ILE  60   4.279  -6.499  -2.770
  437   HG12  ILE  60          HG12      ILE  60   6.135  -5.369  -0.667
  438   HG13  ILE  60          HG11      ILE  60   6.096  -4.905  -2.365
  439   HG21  ILE  60          HG21      ILE  60   3.254  -6.432  -0.531
  440   HG22  ILE  60          HG22      ILE  60   4.637  -7.309   0.123
  441   HG23  ILE  60          HG23      ILE  60   3.579  -8.085  -1.054
  442   HD11  ILE  60          HD11      ILE  60   3.839  -4.050  -2.075
  443   HD12  ILE  60          HD12      ILE  60   4.991  -3.292  -0.972
  444   HD13  ILE  60          HD13      ILE  60   3.885  -4.528  -0.374
  445    HA   PRO  61           HA       PRO  61   5.466 -11.835  -2.760
  446    HB2  PRO  61           HB2      PRO  61   5.215 -12.065   0.198
  447    HB3  PRO  61           HB1      PRO  61   6.089 -13.119  -0.937
  448    HG2  PRO  61           HG2      PRO  61   7.443 -11.475   0.619
  449    HG3  PRO  61           HG1      PRO  61   7.894 -11.629  -1.092
  450    HD2  PRO  61           HD2      PRO  61   6.311  -9.476   0.261
  451    HD3  PRO  61           HD1      PRO  61   7.611  -9.330  -0.942
  452    H    ASP  62           HN       ASP  62   3.526 -12.773  -3.017
  453    HA   ASP  62           HA       ASP  62   1.097 -11.444  -2.573
  454    HB2  ASP  62           HB2      ASP  62   1.555 -14.405  -3.045
  455    HB3  ASP  62           HB1      ASP  62  -0.023 -13.638  -3.039
  456    H    ASP  63           HN       ASP  63   2.648 -13.992  -0.735
  457    HA   ASP  63           HA       ASP  63   0.486 -14.272   1.100
  458    HB2  ASP  63           HB2      ASP  63   3.324 -15.258   1.165
  459    HB3  ASP  63           HB1      ASP  63   2.253 -15.464   2.545
  460    H    VAL  64           HN       VAL  64   3.163 -12.157   0.930
  461    HA   VAL  64           HA       VAL  64   2.883 -11.406   3.696
  462    HB   VAL  64           HB       VAL  64   4.648 -10.151   1.555
  463   HG11  VAL  64          HG11      VAL  64   4.633  -9.730   4.550
  464   HG12  VAL  64          HG12      VAL  64   4.108  -8.553   3.344
  465   HG13  VAL  64          HG13      VAL  64   5.800  -9.048   3.418
  466   HG21  VAL  64          HG21      VAL  64   5.291 -12.036   3.818
  467   HG22  VAL  64          HG22      VAL  64   6.463 -11.306   2.720
  468   HG23  VAL  64          HG23      VAL  64   5.265 -12.442   2.102
  469    H    ALA  65           HN       ALA  65   1.958 -10.140   0.548
  470    HA   ALA  65           HA       ALA  65   0.844  -7.736   1.508
  471    HB1  ALA  65           HB1      ALA  65  -0.039  -9.334  -0.902
  472    HB2  ALA  65           HB2      ALA  65   1.257  -8.129  -0.875
  473    HB3  ALA  65           HB3      ALA  65  -0.408  -7.641  -0.561
  474    H    GLY  66           HN       GLY  66  -0.475 -10.989   1.212
  475    HA2  GLY  66           HA2      GLY  66  -3.029 -10.205   2.336
  476    HA3  GLY  66           HA1      GLY  66  -2.507 -11.846   1.986
  477    H    ARG  67           HN       ARG  67  -0.381  -9.921   3.758
  478    HA   ARG  67           HA       ARG  67  -1.075 -11.237   6.287
  479    HB2  ARG  67           HB2      ARG  67   0.864 -12.269   5.484
  480    HB3  ARG  67           HB1      ARG  67   1.598 -10.789   4.934
  481    HG2  ARG  67           HG2      ARG  67   1.913 -10.156   7.321
  482    HG3  ARG  67           HG1      ARG  67   1.267 -11.741   7.774
  483    HD2  ARG  67           HD2      ARG  67   3.025 -12.866   6.637
  484    HD3  ARG  67           HD1      ARG  67   3.587 -11.367   5.902
  485    HE   ARG  67           HE       ARG  67   3.690 -11.069   8.659
  486   HH11  ARG  67          HH11      ARG  67   5.245 -13.148   6.227
  487   HH12  ARG  67          HH12      ARG  67   6.767 -13.133   6.989
  488   HH21  ARG  67          HH21      ARG  67   5.661 -11.075   9.697
  489   HH22  ARG  67          HH22      ARG  67   7.027 -11.946   9.086
  490    H    VAL  68           HN       VAL  68  -0.587  -8.264   4.654
  491    HA   VAL  68           HA       VAL  68   0.142  -6.807   7.023
  492    HB   VAL  68           HB       VAL  68  -0.007  -4.759   5.595
  493   HG11  VAL  68          HG11      VAL  68   2.085  -5.958   5.700
  494   HG12  VAL  68          HG12      VAL  68   1.840  -5.279   4.089
  495   HG13  VAL  68          HG13      VAL  68   1.576  -7.001   4.371
  496   HG21  VAL  68          HG21      VAL  68  -0.765  -6.679   3.402
  497   HG22  VAL  68          HG22      VAL  68  -0.394  -4.966   3.196
  498   HG23  VAL  68          HG23      VAL  68  -1.817  -5.457   4.114
  499    H    ASP  69           HN       ASP  69  -1.134  -5.408   8.187
  500    HA   ASP  69           HA       ASP  69  -4.002  -6.020   8.025
  501    HB2  ASP  69           HB2      ASP  69  -2.806  -6.402  10.176
  502    HB3  ASP  69           HB1      ASP  69  -2.456  -4.687  10.260
  503    H    THR  70           HN       THR  70  -1.949  -3.148   8.537
  504    HA   THR  70           HA       THR  70  -4.127  -1.492   7.464
  505    HB   THR  70           HB       THR  70  -2.981   0.382   8.629
  506    HG1  THR  70           HG1      THR  70  -1.464  -1.542  10.048
  507   HG21  THR  70          HG21      THR  70  -4.823  -0.785   9.753
  508   HG22  THR  70          HG22      THR  70  -3.609  -0.264  10.923
  509   HG23  THR  70          HG23      THR  70  -3.681  -1.955  10.415
  510    HA   PRO  71           HA       PRO  71  -1.494  -0.224   4.036
  511    HB2  PRO  71           HB2      PRO  71  -2.142   2.567   4.874
  512    HB3  PRO  71           HB1      PRO  71  -2.264   1.817   3.275
  513    HG2  PRO  71           HG2      PRO  71  -4.446   2.229   4.686
  514    HG3  PRO  71           HG1      PRO  71  -4.231   0.699   3.810
  515    HD2  PRO  71           HD2      PRO  71  -3.892   1.276   6.727
  516    HD3  PRO  71           HD1      PRO  71  -4.644  -0.129   5.939
  517    H    ARG  72           HN       ARG  72  -1.183   1.337   7.194
  518    HA   ARG  72           HA       ARG  72   1.333   2.497   7.022
  519    HB2  ARG  72           HB2      ARG  72  -0.080   2.628   9.031
  520    HB3  ARG  72           HB1      ARG  72   0.221   0.921   9.349
  521    HG2  ARG  72           HG2      ARG  72   2.695   1.541   9.385
  522    HG3  ARG  72           HG1      ARG  72   2.146   3.213   9.494
  523    HD2  ARG  72           HD2      ARG  72   1.497   0.976  11.393
  524    HD3  ARG  72           HD1      ARG  72   2.618   2.302  11.684
  525    HE   ARG  72           HE       ARG  72   0.195   3.467  11.102
  526   HH11  ARG  72          HH11      ARG  72   1.397   1.177  13.547
  527   HH12  ARG  72          HH12      ARG  72   0.339   1.723  14.756
  528   HH21  ARG  72          HH21      ARG  72  -1.210   4.173  12.724
  529   HH22  ARG  72          HH22      ARG  72  -1.200   3.522  14.302
  530    H    GLU  73           HN       GLU  73   0.449  -0.825   7.786
  531    HA   GLU  73           HA       GLU  73   3.039  -1.839   8.248
  532    HB2  GLU  73           HB2      GLU  73   0.862  -2.889   8.941
  533    HB3  GLU  73           HB1      GLU  73   0.588  -3.317   7.263
  534    HG2  GLU  73           HG2      GLU  73   1.402  -5.221   8.466
  535    HG3  GLU  73           HG1      GLU  73   2.633  -4.689   7.317
  536    H    LEU  74           HN       LEU  74   0.976  -1.695   5.428
  537    HA   LEU  74           HA       LEU  74   2.662  -3.140   3.668
  538    HB2  LEU  74           HB2      LEU  74   0.158  -2.706   3.459
  539    HB3  LEU  74           HB1      LEU  74   0.542  -1.077   2.985
  540    HG   LEU  74           HG       LEU  74  -0.143  -2.659   1.157
  541   HD11  LEU  74          HD11      LEU  74   2.584  -1.397   0.855
  542   HD12  LEU  74          HD12      LEU  74   1.031  -0.595   0.613
  543   HD13  LEU  74          HD13      LEU  74   1.530  -1.893  -0.471
  544   HD21  LEU  74          HD21      LEU  74   2.574  -3.859   1.663
  545   HD22  LEU  74          HD22      LEU  74   1.548  -4.206   0.273
  546   HD23  LEU  74          HD23      LEU  74   1.013  -4.645   1.895
  547    H    LEU  75           HN       LEU  75   2.231   0.305   4.342
  548    HA   LEU  75           HA       LEU  75   4.047   1.450   2.562
  549    HB2  LEU  75           HB2      LEU  75   2.478   2.764   3.877
  550    HB3  LEU  75           HB1      LEU  75   3.278   2.286   5.358
  551    HG   LEU  75           HG       LEU  75   5.296   3.533   4.643
  552   HD11  LEU  75          HD11      LEU  75   3.545   4.445   2.381
  553   HD12  LEU  75          HD12      LEU  75   4.981   3.426   2.250
  554   HD13  LEU  75          HD13      LEU  75   5.130   5.101   2.789
  555   HD21  LEU  75          HD21      LEU  75   3.658   4.590   6.108
  556   HD22  LEU  75          HD22      LEU  75   2.747   5.147   4.706
  557   HD23  LEU  75          HD23      LEU  75   4.367   5.772   5.008
  558    H    ASP  76           HN       ASP  76   4.525   0.388   5.906
  559    HA   ASP  76           HA       ASP  76   7.253   1.076   6.082
  560    HB2  ASP  76           HB2      ASP  76   5.725   0.604   8.023
  561    HB3  ASP  76           HB1      ASP  76   5.871  -1.109   7.642
  562    H    LEU  77           HN       LEU  77   5.607  -1.830   5.093
  563    HA   LEU  77           HA       LEU  77   7.785  -3.572   4.872
  564    HB2  LEU  77           HB2      LEU  77   5.434  -4.257   4.752
  565    HB3  LEU  77           HB1      LEU  77   5.257  -3.403   3.238
  566    HG   LEU  77           HG       LEU  77   6.887  -4.977   2.216
  567   HD11  LEU  77          HD11      LEU  77   7.399  -7.059   3.385
  568   HD12  LEU  77          HD12      LEU  77   6.611  -6.438   4.837
  569   HD13  LEU  77          HD13      LEU  77   8.071  -5.661   4.225
  570   HD21  LEU  77          HD21      LEU  77   5.307  -6.840   2.085
  571   HD22  LEU  77          HD22      LEU  77   4.492  -5.281   1.967
  572   HD23  LEU  77          HD23      LEU  77   4.437  -6.194   3.475
  573    H    ILE  78           HN       ILE  78   6.425  -1.203   2.627
  574    HA   ILE  78           HA       ILE  78   8.251  -1.879   0.548
  575    HB   ILE  78           HB       ILE  78   6.425   0.533   0.827
  576   HG12  ILE  78          HG12      ILE  78   6.243  -2.039  -0.740
  577   HG13  ILE  78          HG11      ILE  78   5.239  -1.548   0.614
  578   HG21  ILE  78          HG21      ILE  78   6.863   0.959  -1.560
  579   HG22  ILE  78          HG22      ILE  78   8.051  -0.348  -1.577
  580   HG23  ILE  78          HG23      ILE  78   8.345   1.096  -0.610
  581   HD11  ILE  78          HD11      ILE  78   5.315  -0.266  -2.097
  582   HD12  ILE  78          HD12      ILE  78   4.273   0.228  -0.756
  583   HD13  ILE  78          HD13      ILE  78   4.078  -1.362  -1.500
  584    H    ASN  79           HN       ASN  79   8.089   0.578   3.036
  585    HA   ASN  79           HA       ASN  79  10.398   1.969   2.236
  586    HB2  ASN  79           HB2      ASN  79   9.100   1.703   4.949
  587    HB3  ASN  79           HB1      ASN  79  10.552   2.661   4.707
  588   HD21  ASN  79          HD21      ASN  79   7.971   3.548   5.566
  589   HD22  ASN  79          HD22      ASN  79   7.427   4.725   4.411
  590    H    GLY  80           HN       GLY  80  10.004  -0.883   4.239
  591    HA2  GLY  80           HA2      GLY  80  12.718  -1.197   4.950
  592    HA3  GLY  80           HA1      GLY  80  11.514  -2.482   4.877
  593    H    ALA  81           HN       ALA  81  10.873  -2.146   2.120
  594    HA   ALA  81           HA       ALA  81  12.985  -3.620   0.890
  595    HB1  ALA  81           HB1      ALA  81  11.558  -3.566  -1.118
  596    HB2  ALA  81           HB2      ALA  81  10.510  -2.377  -0.344
  597    HB3  ALA  81           HB3      ALA  81  10.617  -4.007   0.307
  598    H    LEU  82           HN       LEU  82  11.936  -0.289   0.900
  599    HA   LEU  82           HA       LEU  82  13.540   0.628  -1.234
  600    HB2  LEU  82           HB2      LEU  82  12.252   2.082   1.066
  601    HB3  LEU  82           HB1      LEU  82  13.104   2.891  -0.233
  602    HG   LEU  82           HG       LEU  82  10.673   1.146  -0.642
  603   HD11  LEU  82          HD11      LEU  82  10.888   4.148  -0.530
  604   HD12  LEU  82          HD12      LEU  82  10.103   3.120   0.668
  605   HD13  LEU  82          HD13      LEU  82   9.450   3.226  -0.965
  606   HD21  LEU  82          HD21      LEU  82  12.140   1.308  -2.582
  607   HD22  LEU  82          HD22      LEU  82  12.112   3.068  -2.467
  608   HD23  LEU  82          HD23      LEU  82  10.633   2.186  -2.849
  609    H    ALA  83           HN       ALA  83  14.319  -0.265   1.935
  610    HA   ALA  83           HA       ALA  83  16.545   1.421   2.385
  611    HB1  ALA  83           HB1      ALA  83  17.271  -0.235   4.029
  612    HB2  ALA  83           HB2      ALA  83  16.116  -1.398   3.381
  613    HB3  ALA  83           HB3      ALA  83  15.539   0.069   4.173
  614    H    GLU  84           HN       GLU  84  16.086  -1.339   0.358
  615    HA   GLU  84           HA       GLU  84  18.952  -1.346  -0.259
  616    HB2  GLU  84           HB2      GLU  84  18.616  -3.625  -1.119
  617    HB3  GLU  84           HB1      GLU  84  18.180  -3.506   0.576
  618    HG2  GLU  84           HG2      GLU  84  15.821  -3.417  -0.039
  619    HG3  GLU  84           HG1      GLU  84  16.266  -3.515  -1.741
  620    H    ALA  85           HN       ALA  85  16.752   0.433  -1.200
  621    HA   ALA  85           HA       ALA  85  17.171   0.038  -4.055
  622    HB1  ALA  85           HB1      ALA  85  14.563   0.816  -2.729
  623    HB2  ALA  85           HB2      ALA  85  14.894  -0.723  -3.526
  624    HB3  ALA  85           HB3      ALA  85  14.861   0.769  -4.468
  625    H    ALA  86           HN       ALA  86  16.672   2.161  -5.188
  626    HA   ALA  86           HA       ALA  86  16.793   4.521  -3.576
  627    HB1  ALA  86           HB1      ALA  86  19.164   3.878  -3.632
  628    HB2  ALA  86           HB2      ALA  86  18.891   5.339  -4.583
  629    HB3  ALA  86           HB3      ALA  86  19.103   3.786  -5.394
  630   H281  PSR  87          H28A      PSR  87  -8.483 -11.045  -5.646
  631   H282  PSR  87          H28B      PSR  87  -7.341 -10.089  -4.706
  632   H301  PSR  87          H30A      PSR  87  -6.661 -10.410  -7.373
  633   H302  PSR  87          H30B      PSR  87  -5.055 -11.131  -7.217
  634   H303  PSR  87          H30C      PSR  87  -5.562  -9.855  -6.107
  635   H311  PSR  87          H31A      PSR  87  -5.733 -12.805  -4.005
  636   H312  PSR  87          H31B      PSR  87  -4.986 -11.225  -4.239
  637   H313  PSR  87          H31C      PSR  87  -4.517 -12.581  -5.263
  638   H321  PSR  87          H32A      PSR  87  -6.027 -13.546  -6.955
  639   H331  PSR  87          H33A      PSR  87  -8.516 -13.198  -7.446
  640   H361  PSR  87          H36A      PSR  87  -6.265 -14.270  -4.468
  641   H371  PSR  87          H37A      PSR  87  -8.870 -15.504  -4.024
  642   H372  PSR  87          H37B      PSR  87  -7.436 -16.545  -4.088
  643   H381  PSR  87          H38A      PSR  87  -7.835 -14.219  -2.225
  644   H382  PSR  87          H38B      PSR  87  -8.182 -15.883  -1.794
  645   H411  PSR  87          H41A      PSR  87  -6.366 -13.986  -0.642
  646   H421  PSR  87          H42A      PSR  87  -4.446 -15.075   0.578
  647   H422  PSR  87          H42B      PSR  87  -3.699 -15.159  -1.027
  648   H431  PSR  87          H43A      PSR  87  -2.967 -13.178   0.256
  649   H432  PSR  87          H43B      PSR  87  -4.655 -12.619   0.304
  650   HC21  PSR  87          H2A       PSR  87  -2.565  -9.045  -1.967
  651   HC22  PSR  87          H2B       PSR  87  -3.365  -9.942  -3.258
  652   HC31  PSR  87          H3A       PSR  87  -1.602 -11.606  -3.243
  653   HC32  PSR  87          H3B       PSR  87  -0.820 -10.794  -1.877
  654   HC41  PSR  87          H4C       PSR  87  -1.270  -9.631  -4.618
  655   HC42  PSR  87          H4A       PSR  87   0.261 -10.242  -3.991
  656   HC43  PSR  87          H4B       PSR  87  -0.485  -8.819  -3.263
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  18.263  10.500   1.702
    2    H2   MET   1           HT2      MET   1  19.878  10.234   2.199
    3    H3   MET   1           HT3      MET   1  18.735   8.984   2.258
    4    HA   MET   1           HA       MET   1  19.521  10.342  -0.220
    5    HB2  MET   1           HB2      MET   1  21.433   9.108   0.691
    6    HB3  MET   1           HB1      MET   1  20.433   7.681   0.891
    7    HG2  MET   1           HG2      MET   1  20.177   7.491  -1.514
    8    HG3  MET   1           HG1      MET   1  21.120   8.964  -1.743
    9    HE1  MET   1           HE1      MET   1  23.503   6.110  -3.033
   10    HE2  MET   1           HE2      MET   1  22.673   7.609  -3.451
   11    HE3  MET   1           HE3      MET   1  21.744   6.139  -3.161
   12    H    ALA   2           HN       ALA   2  18.180   7.326   1.187
   13    HA   ALA   2           HA       ALA   2  16.694   6.743  -1.139
   14    HB1  ALA   2           HB1      ALA   2  16.388   5.692   1.672
   15    HB2  ALA   2           HB2      ALA   2  17.428   5.005   0.424
   16    HB3  ALA   2           HB3      ALA   2  15.678   4.991   0.219
   17    H    THR   3           HN       THR   3  15.021   7.803  -1.765
   18    HA   THR   3           HA       THR   3  13.488   9.507  -0.059
   19    HB   THR   3           HB       THR   3  12.951   8.559  -2.814
   20    HG1  THR   3           HG1      THR   3  14.639  10.627  -1.783
   21   HG21  THR   3          HG21      THR   3  11.104   9.762  -1.778
   22   HG22  THR   3          HG22      THR   3  11.818  10.748  -3.052
   23   HG23  THR   3          HG23      THR   3  12.182  11.091  -1.361
   24    H    LEU   4           HN       LEU   4  12.185   8.531   1.344
   25    HA   LEU   4           HA       LEU   4  11.047   5.931   0.771
   26    HB2  LEU   4           HB2      LEU   4  11.057   7.601   3.269
   27    HB3  LEU   4           HB1      LEU   4  10.419   5.975   3.135
   28    HG   LEU   4           HG       LEU   4  13.312   6.730   2.729
   29   HD11  LEU   4          HD11      LEU   4  12.604   7.008   5.038
   30   HD12  LEU   4          HD12      LEU   4  13.667   5.608   4.857
   31   HD13  LEU   4          HD13      LEU   4  11.931   5.378   5.033
   32   HD21  LEU   4          HD21      LEU   4  13.688   4.304   2.790
   33   HD22  LEU   4          HD22      LEU   4  12.654   4.778   1.440
   34   HD23  LEU   4          HD23      LEU   4  11.941   4.048   2.874
   35    H    LEU   5           HN       LEU   5   8.848   5.524   1.088
   36    HA   LEU   5           HA       LEU   5   7.163   7.642   0.110
   37    HB2  LEU   5           HB2      LEU   5   6.480   4.816   0.890
   38    HB3  LEU   5           HB1      LEU   5   5.415   5.944   0.079
   39    HG   LEU   5           HG       LEU   5   7.923   4.718  -1.041
   40   HD11  LEU   5          HD11      LEU   5   6.363   3.664  -2.600
   41   HD12  LEU   5          HD12      LEU   5   5.009   4.401  -1.740
   42   HD13  LEU   5          HD13      LEU   5   6.022   3.206  -0.932
   43   HD21  LEU   5          HD21      LEU   5   7.656   7.023  -1.788
   44   HD22  LEU   5          HD22      LEU   5   5.991   6.670  -2.260
   45   HD23  LEU   5          HD23      LEU   5   7.328   5.886  -3.101
   46    H    THR   6           HN       THR   6   5.937   8.857   1.307
   47    HA   THR   6           HA       THR   6   5.669   8.215   4.131
   48    HB   THR   6           HB       THR   6   4.878  10.580   4.333
   49    HG1  THR   6           HG1      THR   6   5.536  10.641   1.539
   50   HG21  THR   6          HG21      THR   6   7.259  10.052   4.666
   51   HG22  THR   6          HG22      THR   6   7.068  11.639   3.926
   52   HG23  THR   6          HG23      THR   6   7.546  10.257   2.939
   53    H    THR   7           HN       THR   7   3.366   9.480   4.781
   54    HA   THR   7           HA       THR   7   1.331   7.731   4.215
   55    HB   THR   7           HB       THR   7   1.038  10.653   4.958
   56    HG1  THR   7           HG1      THR   7   1.123   9.540   7.173
   57   HG21  THR   7          HG21      THR   7  -1.073   9.461   4.472
   58   HG22  THR   7          HG22      THR   7  -0.939   9.847   6.188
   59   HG23  THR   7          HG23      THR   7  -0.625   8.204   5.628
   60    H    ASP   8           HN       ASP   8   1.844  10.993   2.862
   61    HA   ASP   8           HA       ASP   8  -0.283  11.028   1.046
   62    HB2  ASP   8           HB2      ASP   8   0.881  13.059   1.599
   63    HB3  ASP   8           HB1      ASP   8   2.378  12.448   0.901
   64    H    ASP   9           HN       ASP   9   3.001   9.860   0.596
   65    HA   ASP   9           HA       ASP   9   2.871   9.512  -2.227
   66    HB2  ASP   9           HB2      ASP   9   4.616   8.012  -0.255
   67    HB3  ASP   9           HB1      ASP   9   4.808   8.025  -2.000
   68    H    LEU  10           HN       LEU  10   2.286   7.426   0.482
   69    HA   LEU  10           HA       LEU  10   1.609   5.103  -0.981
   70    HB2  LEU  10           HB2      LEU  10   2.294   5.115   1.360
   71    HB3  LEU  10           HB1      LEU  10   0.870   6.023   1.793
   72    HG   LEU  10           HG       LEU  10  -0.501   4.062   1.052
   73   HD11  LEU  10          HD11      LEU  10   2.184   2.690   0.946
   74   HD12  LEU  10          HD12      LEU  10   1.121   3.005  -0.426
   75   HD13  LEU  10          HD13      LEU  10   0.615   1.892   0.845
   76   HD21  LEU  10          HD21      LEU  10  -0.047   4.463   3.381
   77   HD22  LEU  10          HD22      LEU  10   1.497   3.627   3.251
   78   HD23  LEU  10          HD23      LEU  10  -0.012   2.730   3.054
   79    H    ARG  11           HN       ARG  11  -0.277   7.658   0.572
   80    HA   ARG  11           HA       ARG  11  -2.874   6.810   0.286
   81    HB2  ARG  11           HB2      ARG  11  -2.037   8.822   1.530
   82    HB3  ARG  11           HB1      ARG  11  -1.958   9.663  -0.004
   83    HG2  ARG  11           HG2      ARG  11  -4.384   9.393  -0.291
   84    HG3  ARG  11           HG1      ARG  11  -4.422   8.520   1.252
   85    HD2  ARG  11           HD2      ARG  11  -5.120  10.877   1.489
   86    HD3  ARG  11           HD1      ARG  11  -3.705  10.464   2.451
   87    HE   ARG  11           HE       ARG  11  -2.692  11.438   0.131
   88   HH11  ARG  11          HH11      ARG  11  -5.123  12.758   2.324
   89   HH12  ARG  11          HH12      ARG  11  -4.564  14.366   2.253
   90   HH21  ARG  11          HH21      ARG  11  -1.806  13.677   0.119
   91   HH22  ARG  11          HH22      ARG  11  -2.620  14.879   1.016
   92    H    ARG  12           HN       ARG  12  -1.035   8.705  -2.097
   93    HA   ARG  12           HA       ARG  12  -3.116   9.097  -3.906
   94    HB2  ARG  12           HB2      ARG  12  -1.418   9.540  -5.622
   95    HB3  ARG  12           HB1      ARG  12  -1.013  10.317  -4.103
   96    HG2  ARG  12           HG2      ARG  12   0.610   8.568  -3.630
   97    HG3  ARG  12           HG1      ARG  12   0.183   7.759  -5.138
   98    HD2  ARG  12           HD2      ARG  12   0.900   9.764  -6.375
   99    HD3  ARG  12           HD1      ARG  12   1.382  10.506  -4.850
  100    HE   ARG  12           HE       ARG  12   2.710   8.178  -4.846
  101   HH11  ARG  12          HH11      ARG  12   2.465  10.823  -7.182
  102   HH12  ARG  12          HH12      ARG  12   4.008  10.637  -7.845
  103   HH21  ARG  12          HH21      ARG  12   4.978   7.871  -5.809
  104   HH22  ARG  12          HH22      ARG  12   5.446   8.958  -7.013
  105    H    ALA  13           HN       ALA  13  -1.031   6.305  -3.549
  106    HA   ALA  13           HA       ALA  13  -1.917   4.993  -5.915
  107    HB1  ALA  13           HB1      ALA  13  -0.738   3.043  -5.027
  108    HB2  ALA  13           HB2      ALA  13  -0.543   3.868  -3.478
  109    HB3  ALA  13           HB3      ALA  13   0.256   4.496  -4.918
  110    H    LEU  14           HN       LEU  14  -2.803   4.867  -2.511
  111    HA   LEU  14           HA       LEU  14  -4.689   2.753  -2.695
  112    HB2  LEU  14           HB2      LEU  14  -4.422   5.027  -0.731
  113    HB3  LEU  14           HB1      LEU  14  -5.774   3.929  -0.656
  114    HG   LEU  14           HG       LEU  14  -4.161   3.334   0.999
  115   HD11  LEU  14          HD11      LEU  14  -3.687   1.016   0.449
  116   HD12  LEU  14          HD12      LEU  14  -4.092   1.342  -1.236
  117   HD13  LEU  14          HD13      LEU  14  -5.328   1.492   0.013
  118   HD21  LEU  14          HD21      LEU  14  -2.177   4.300   0.039
  119   HD22  LEU  14          HD22      LEU  14  -2.173   3.070  -1.225
  120   HD23  LEU  14          HD23      LEU  14  -1.905   2.608   0.455
  121    H    VAL  15           HN       VAL  15  -5.110   6.268  -2.765
  122    HA   VAL  15           HA       VAL  15  -7.871   6.255  -3.160
  123    HB   VAL  15           HB       VAL  15  -5.842   8.405  -3.913
  124   HG11  VAL  15          HG11      VAL  15  -7.698   9.984  -3.985
  125   HG12  VAL  15          HG12      VAL  15  -8.841   8.662  -3.747
  126   HG13  VAL  15          HG13      VAL  15  -7.880   8.741  -5.224
  127   HG21  VAL  15          HG21      VAL  15  -7.686   8.118  -1.549
  128   HG22  VAL  15          HG22      VAL  15  -6.628   9.490  -1.866
  129   HG23  VAL  15          HG23      VAL  15  -5.938   7.898  -1.543
  130    H    GLU  16           HN       GLU  16  -5.391   5.529  -5.373
  131    HA   GLU  16           HA       GLU  16  -6.894   5.912  -7.782
  132    HB2  GLU  16           HB2      GLU  16  -4.431   5.784  -7.764
  133    HB3  GLU  16           HB1      GLU  16  -4.530   4.121  -7.203
  134    HG2  GLU  16           HG2      GLU  16  -4.106   3.998  -9.504
  135    HG3  GLU  16           HG1      GLU  16  -5.817   3.615  -9.311
  136    H    SER  17           HN       SER  17  -5.972   3.093  -5.804
  137    HA   SER  17           HA       SER  17  -7.449   1.256  -7.354
  138    HB2  SER  17           HB2      SER  17  -6.185   0.929  -4.626
  139    HB3  SER  17           HB1      SER  17  -6.610  -0.401  -5.714
  140    HG   SER  17           HG       SER  17  -5.309   0.732  -7.277
  141    H    ALA  18           HN       ALA  18  -8.311   3.273  -4.718
  142    HA   ALA  18           HA       ALA  18 -10.618   1.875  -3.846
  143    HB1  ALA  18           HB1      ALA  18  -9.629   3.723  -2.563
  144    HB2  ALA  18           HB2      ALA  18 -11.332   4.026  -2.906
  145    HB3  ALA  18           HB3      ALA  18 -10.082   4.850  -3.842
  146    H    GLY  19           HN       GLY  19  -9.928   3.882  -6.589
  147    HA2  GLY  19           HA2      GLY  19 -11.216   3.856  -8.561
  148    HA3  GLY  19           HA1      GLY  19 -12.627   3.401  -7.608
  149    H    GLU  20           HN       GLU  20 -13.303   5.043  -6.016
  150    HA   GLU  20           HA       GLU  20 -13.954   7.100  -5.327
  151    HB2  GLU  20           HB2      GLU  20 -11.517   7.647  -5.422
  152    HB3  GLU  20           HB1      GLU  20 -11.735   8.221  -7.063
  153    HG2  GLU  20           HG2      GLU  20 -13.195   9.990  -6.257
  154    HG3  GLU  20           HG1      GLU  20 -13.021   9.388  -4.608
  155    H    THR  21           HN       THR  21 -14.656   5.861  -8.049
  156    HA   THR  21           HA       THR  21 -16.561   7.956  -8.658
  157    HB   THR  21           HB       THR  21 -14.777   8.256 -10.363
  158    HG1  THR  21           HG1      THR  21 -16.968   8.514 -11.096
  159   HG21  THR  21          HG21      THR  21 -15.259   5.366 -11.088
  160   HG22  THR  21          HG22      THR  21 -13.804   6.025 -10.341
  161   HG23  THR  21          HG23      THR  21 -14.237   6.487 -11.986
  162    H    ASP  22           HN       ASP  22 -16.635   5.699  -7.100
  163    HA   ASP  22           HA       ASP  22 -18.246   3.741  -8.631
  164    HB2  ASP  22           HB2      ASP  22 -16.606   3.323  -6.119
  165    HB3  ASP  22           HB1      ASP  22 -17.611   2.101  -6.886
  166    H    GLY  23           HN       GLY  23 -17.854   5.428  -5.572
  167    HA2  GLY  23           HA2      GLY  23 -20.012   6.354  -4.678
  168    HA3  GLY  23           HA1      GLY  23 -20.608   4.697  -4.817
  169    H    THR  24           HN       THR  24 -17.632   4.094  -4.197
  170    HA   THR  24           HA       THR  24 -17.621   4.598  -1.348
  171    HB   THR  24           HB       THR  24 -18.617   2.418  -1.478
  172    HG1  THR  24           HG1      THR  24 -17.304   2.178   0.134
  173   HG21  THR  24          HG21      THR  24 -18.068   1.793  -3.778
  174   HG22  THR  24          HG22      THR  24 -17.610   0.496  -2.675
  175   HG23  THR  24          HG23      THR  24 -16.375   1.571  -3.333
  176    H    ASP  25           HN       ASP  25 -15.918   5.959  -1.411
  177    HA   ASP  25           HA       ASP  25 -13.462   4.981  -2.708
  178    HB2  ASP  25           HB2      ASP  25 -12.824   7.175  -3.290
  179    HB3  ASP  25           HB1      ASP  25 -14.530   7.099  -3.693
  180    H    LEU  26           HN       LEU  26 -11.504   6.375  -1.624
  181    HA   LEU  26           HA       LEU  26 -11.745   5.727   1.187
  182    HB2  LEU  26           HB2      LEU  26 -10.061   4.492   0.065
  183    HB3  LEU  26           HB1      LEU  26  -9.376   5.901  -0.692
  184    HG   LEU  26           HG       LEU  26  -8.895   6.704   1.627
  185   HD11  LEU  26          HD11      LEU  26 -10.300   5.207   2.883
  186   HD12  LEU  26          HD12      LEU  26  -8.606   4.951   3.326
  187   HD13  LEU  26          HD13      LEU  26  -9.414   3.808   2.255
  188   HD21  LEU  26          HD21      LEU  26  -7.155   5.962   0.141
  189   HD22  LEU  26          HD22      LEU  26  -7.466   4.281   0.568
  190   HD23  LEU  26          HD23      LEU  26  -6.809   5.389   1.773
  191    H    SER  27           HN       SER  27  -9.349   7.799  -0.242
  192    HA   SER  27           HA       SER  27  -8.634   9.835  -0.034
  193    HB2  SER  27           HB2      SER  27 -10.259  11.758  -0.053
  194    HB3  SER  27           HB1      SER  27 -10.465  10.580  -1.340
  195    HG   SER  27           HG       SER  27 -12.233   9.785  -0.368
  196    H    GLY  28           HN       GLY  28  -7.518  10.847   1.334
  197    HA2  GLY  28           HA2      GLY  28  -7.106  12.085   3.275
  198    HA3  GLY  28           HA1      GLY  28  -8.652  11.550   3.917
  199    H    ASP  29           HN       ASP  29  -8.337  10.481   5.689
  200    HA   ASP  29           HA       ASP  29  -5.843   9.117   6.116
  201    HB2  ASP  29           HB2      ASP  29  -6.770  10.490   7.920
  202    HB3  ASP  29           HB1      ASP  29  -8.188   9.444   7.992
  203    H    PHE  30           HN       PHE  30  -5.617   7.039   6.683
  204    HA   PHE  30           HA       PHE  30  -7.617   5.000   6.190
  205    HB2  PHE  30           HB2      PHE  30  -6.789   4.185   3.979
  206    HB3  PHE  30           HB1      PHE  30  -7.158   5.882   3.894
  207    HD1  PHE  30           HD2      PHE  30  -5.245   7.565   4.213
  208    HD2  PHE  30           HD1      PHE  30  -4.632   3.469   3.291
  209    HE1  PHE  30           HE2      PHE  30  -3.029   8.092   3.302
  210    HE2  PHE  30           HE1      PHE  30  -2.433   3.988   2.377
  211    HZ   PHE  30           HZ       PHE  30  -1.530   6.292   2.605
  212    H    LEU  31           HN       LEU  31  -4.372   6.049   6.525
  213    HA   LEU  31           HA       LEU  31  -2.747   3.911   6.400
  214    HB2  LEU  31           HB2      LEU  31  -2.171   6.245   6.441
  215    HB3  LEU  31           HB1      LEU  31  -2.480   6.319   8.173
  216    HG   LEU  31           HG       LEU  31  -0.613   4.606   8.402
  217   HD11  LEU  31          HD11      LEU  31   0.960   4.477   6.536
  218   HD12  LEU  31          HD12      LEU  31  -0.143   5.429   5.544
  219   HD13  LEU  31          HD13      LEU  31  -0.619   3.824   6.102
  220   HD21  LEU  31          HD21      LEU  31   1.129   6.299   8.183
  221   HD22  LEU  31          HD22      LEU  31  -0.326   6.965   8.928
  222   HD23  LEU  31          HD23      LEU  31   0.036   7.304   7.235
  223    H    ASP  32           HN       ASP  32  -4.740   4.734   9.203
  224    HA   ASP  32           HA       ASP  32  -3.253   2.809  10.842
  225    HB2  ASP  32           HB2      ASP  32  -3.559   4.980  11.850
  226    HB3  ASP  32           HB1      ASP  32  -5.290   4.921  11.558
  227    H    LEU  33           HN       LEU  33  -6.117   3.112   9.058
  228    HA   LEU  33           HA       LEU  33  -7.626   1.236  10.656
  229    HB2  LEU  33           HB2      LEU  33  -8.236   2.544   8.008
  230    HB3  LEU  33           HB1      LEU  33  -9.327   1.469   8.854
  231    HG   LEU  33           HG       LEU  33  -8.372   4.144   9.882
  232   HD11  LEU  33          HD11      LEU  33 -11.036   3.303   8.754
  233   HD12  LEU  33          HD12      LEU  33  -9.869   4.372   7.977
  234   HD13  LEU  33          HD13      LEU  33 -10.668   4.875   9.466
  235   HD21  LEU  33          HD21      LEU  33  -8.848   2.559  11.680
  236   HD22  LEU  33          HD22      LEU  33 -10.429   2.222  10.971
  237   HD23  LEU  33          HD23      LEU  33 -10.073   3.827  11.613
  238    H    ARG  34           HN       ARG  34  -8.252  -0.776   9.957
  239    HA   ARG  34           HA       ARG  34  -6.311  -2.241   8.446
  240    HB2  ARG  34           HB2      ARG  34  -8.119  -2.854  10.396
  241    HB3  ARG  34           HB1      ARG  34  -8.983  -3.414   8.975
  242    HG2  ARG  34           HG2      ARG  34  -6.221  -4.306   9.786
  243    HG3  ARG  34           HG1      ARG  34  -7.704  -5.168  10.145
  244    HD2  ARG  34           HD2      ARG  34  -8.084  -5.514   7.758
  245    HD3  ARG  34           HD1      ARG  34  -6.620  -4.594   7.383
  246    HE   ARG  34           HE       ARG  34  -5.924  -6.555   9.181
  247   HH11  ARG  34          HH11      ARG  34  -7.192  -6.700   5.757
  248   HH12  ARG  34          HH12      ARG  34  -6.214  -8.019   5.417
  249   HH21  ARG  34          HH21      ARG  34  -4.757  -8.361   8.613
  250   HH22  ARG  34          HH22      ARG  34  -4.856  -9.056   7.053
  251    H    PHE  35           HN       PHE  35  -6.504  -2.929   6.328
  252    HA   PHE  35           HA       PHE  35  -7.846  -1.488   4.439
  253    HB2  PHE  35           HB2      PHE  35  -6.941  -4.355   4.265
  254    HB3  PHE  35           HB1      PHE  35  -7.545  -3.452   2.883
  255    HD1  PHE  35           HD2      PHE  35  -6.283  -1.543   2.010
  256    HD2  PHE  35           HD1      PHE  35  -4.752  -3.999   5.128
  257    HE1  PHE  35           HE2      PHE  35  -4.024  -0.675   1.579
  258    HE2  PHE  35           HE1      PHE  35  -2.497  -3.138   4.701
  259    HZ   PHE  35           HZ       PHE  35  -2.127  -1.476   2.922
  260    H    GLU  36           HN       GLU  36  -9.070  -4.344   6.066
  261    HA   GLU  36           HA       GLU  36 -11.327  -4.956   4.596
  262    HB2  GLU  36           HB2      GLU  36 -11.347  -5.005   7.602
  263    HB3  GLU  36           HB1      GLU  36 -12.132  -6.106   6.487
  264    HG2  GLU  36           HG2      GLU  36  -9.221  -5.933   7.183
  265    HG3  GLU  36           HG1      GLU  36 -10.335  -7.255   7.501
  266    H    ASP  37           HN       ASP  37 -10.833  -2.472   7.019
  267    HA   ASP  37           HA       ASP  37 -13.644  -1.779   7.181
  268    HB2  ASP  37           HB2      ASP  37 -12.221  -1.836   9.197
  269    HB3  ASP  37           HB1      ASP  37 -11.213  -0.571   8.521
  270    H    ILE  38           HN       ILE  38 -10.932  -0.897   5.360
  271    HA   ILE  38           HA       ILE  38 -12.236   1.601   4.644
  272    HB   ILE  38           HB       ILE  38 -10.185   2.212   3.345
  273   HG12  ILE  38          HG12      ILE  38  -8.956  -0.223   4.683
  274   HG13  ILE  38          HG11      ILE  38  -9.268  -0.103   2.964
  275   HG21  ILE  38          HG21      ILE  38 -10.519   3.081   5.565
  276   HG22  ILE  38          HG22      ILE  38  -8.804   2.755   5.300
  277   HG23  ILE  38          HG23      ILE  38  -9.772   1.647   6.272
  278   HD11  ILE  38          HD11      ILE  38  -7.648   1.757   2.835
  279   HD12  ILE  38          HD12      ILE  38  -6.942   0.250   3.403
  280   HD13  ILE  38          HD13      ILE  38  -7.302   1.543   4.555
  281    H    GLY  39           HN       GLY  39 -12.712  -1.332   3.838
  282    HA2  GLY  39           HA2      GLY  39 -13.882  -2.269   2.106
  283    HA3  GLY  39           HA1      GLY  39 -13.931  -0.683   1.361
  284    H    TYR  40           HN       TYR  40 -10.903  -2.323   2.136
  285    HA   TYR  40           HA       TYR  40 -10.384  -2.391  -0.722
  286    HB2  TYR  40           HB2      TYR  40  -8.594  -2.187   1.667
  287    HB3  TYR  40           HB1      TYR  40  -7.972  -2.803   0.179
  288    HD1  TYR  40           HD2      TYR  40 -10.105   0.035   1.261
  289    HD2  TYR  40           HD1      TYR  40  -6.931  -1.322  -1.185
  290    HE1  TYR  40           HE2      TYR  40  -9.796   2.302   0.444
  291    HE2  TYR  40           HE1      TYR  40  -6.598   0.931  -2.024
  292    HH   TYR  40           HH       TYR  40  -8.043   3.625  -0.520
  293    H    ASP  41           HN       ASP  41 -10.620  -4.211  -1.735
  294    HA   ASP  41           HA       ASP  41 -10.358  -6.738  -0.317
  295    HB2  ASP  41           HB2      ASP  41 -11.306  -7.781  -2.228
  296    HB3  ASP  41           HB1      ASP  41 -12.158  -6.249  -2.142
  297    H    SER  42           HN       SER  42  -9.079  -8.433  -1.741
  298    HA   SER  42           HA       SER  42  -6.424  -7.905  -1.626
  299    HB2  SER  42           HB2      SER  42  -6.280  -9.909  -3.181
  300    HB3  SER  42           HB1      SER  42  -7.182 -10.126  -1.673
  301    H    LEU  43           HN       LEU  43  -8.548  -7.554  -4.479
  302    HA   LEU  43           HA       LEU  43  -6.472  -7.023  -6.339
  303    HB2  LEU  43           HB2      LEU  43  -8.763  -7.768  -6.987
  304    HB3  LEU  43           HB1      LEU  43  -9.400  -6.232  -6.469
  305    HG   LEU  43           HG       LEU  43  -9.264  -6.529  -8.944
  306   HD11  LEU  43          HD11      LEU  43  -9.349  -4.266  -8.081
  307   HD12  LEU  43          HD12      LEU  43  -8.333  -4.350  -9.519
  308   HD13  LEU  43          HD13      LEU  43  -7.591  -4.240  -7.928
  309   HD21  LEU  43          HD21      LEU  43  -6.289  -6.435  -8.503
  310   HD22  LEU  43          HD22      LEU  43  -7.096  -6.356 -10.068
  311   HD23  LEU  43          HD23      LEU  43  -7.221  -7.814  -9.083
  312    H    ALA  44           HN       ALA  44  -8.634  -4.880  -4.525
  313    HA   ALA  44           HA       ALA  44  -7.628  -2.477  -5.575
  314    HB1  ALA  44           HB1      ALA  44  -8.825  -2.949  -2.842
  315    HB2  ALA  44           HB2      ALA  44  -9.732  -2.608  -4.316
  316    HB3  ALA  44           HB3      ALA  44  -8.648  -1.387  -3.643
  317    H    LEU  45           HN       LEU  45  -6.700  -4.315  -2.731
  318    HA   LEU  45           HA       LEU  45  -4.797  -2.489  -1.754
  319    HB2  LEU  45           HB2      LEU  45  -5.913  -4.397  -0.537
  320    HB3  LEU  45           HB1      LEU  45  -4.850  -5.485  -1.389
  321    HG   LEU  45           HG       LEU  45  -3.898  -3.352   0.542
  322   HD11  LEU  45          HD11      LEU  45  -3.571  -5.178   2.072
  323   HD12  LEU  45          HD12      LEU  45  -4.371  -6.285   0.931
  324   HD13  LEU  45          HD13      LEU  45  -5.274  -4.941   1.664
  325   HD21  LEU  45          HD21      LEU  45  -2.523  -5.769  -0.619
  326   HD22  LEU  45          HD22      LEU  45  -1.834  -4.651   0.576
  327   HD23  LEU  45          HD23      LEU  45  -2.206  -4.093  -1.065
  328    H    MET  46           HN       MET  46  -4.428  -5.366  -3.830
  329    HA   MET  46           HA       MET  46  -1.603  -5.110  -3.998
  330    HB2  MET  46           HB2      MET  46  -1.654  -6.837  -5.693
  331    HB3  MET  46           HB1      MET  46  -2.693  -7.267  -4.345
  332    HG2  MET  46           HG2      MET  46  -4.017  -7.858  -6.110
  333    HG3  MET  46           HG1      MET  46  -4.492  -6.175  -5.754
  334    HE1  MET  46           HE1      MET  46  -1.673  -7.200  -9.270
  335    HE2  MET  46           HE2      MET  46  -2.275  -8.417  -8.142
  336    HE3  MET  46           HE3      MET  46  -1.171  -7.162  -7.580
  337    H    GLU  47           HN       GLU  47  -4.220  -3.784  -5.904
  338    HA   GLU  47           HA       GLU  47  -2.699  -3.103  -8.155
  339    HB2  GLU  47           HB2      GLU  47  -5.188  -3.003  -8.046
  340    HB3  GLU  47           HB1      GLU  47  -5.054  -1.600  -6.993
  341    HG2  GLU  47           HG2      GLU  47  -3.854  -0.426  -8.792
  342    HG3  GLU  47           HG1      GLU  47  -4.159  -1.798  -9.857
  343    H    THR  48           HN       THR  48  -3.348  -1.481  -5.135
  344    HA   THR  48           HA       THR  48  -1.862   0.855  -5.517
  345    HB   THR  48           HB       THR  48  -2.475  -0.782  -3.050
  346    HG1  THR  48           HG1      THR  48  -4.064   0.620  -4.599
  347   HG21  THR  48          HG21      THR  48  -2.027   1.267  -1.775
  348   HG22  THR  48          HG22      THR  48  -1.519   2.073  -3.259
  349   HG23  THR  48          HG23      THR  48  -0.586   0.713  -2.631
  350    H    ALA  49           HN       ALA  49  -0.987  -2.174  -3.814
  351    HA   ALA  49           HA       ALA  49   1.637  -1.526  -3.194
  352    HB1  ALA  49           HB1      ALA  49   0.436  -3.392  -2.164
  353    HB2  ALA  49           HB2      ALA  49   2.018  -3.861  -2.821
  354    HB3  ALA  49           HB3      ALA  49   0.552  -4.272  -3.699
  355    H    ALA  50           HN       ALA  50   0.528  -3.567  -5.903
  356    HA   ALA  50           HA       ALA  50   3.039  -4.147  -6.941
  357    HB1  ALA  50           HB1      ALA  50   1.892  -4.787  -8.983
  358    HB2  ALA  50           HB2      ALA  50   0.446  -3.921  -8.463
  359    HB3  ALA  50           HB3      ALA  50   0.994  -5.340  -7.570
  360    H    ARG  51           HN       ARG  51   0.913  -1.424  -7.574
  361    HA   ARG  51           HA       ARG  51   2.345  -0.376  -9.773
  362    HB2  ARG  51           HB2      ARG  51  -0.003   0.263  -9.137
  363    HB3  ARG  51           HB1      ARG  51   0.661   1.128  -7.763
  364    HG2  ARG  51           HG2      ARG  51   1.900   2.591  -9.271
  365    HG3  ARG  51           HG1      ARG  51   1.211   1.734 -10.651
  366    HD2  ARG  51           HD2      ARG  51  -1.012   2.409  -9.978
  367    HD3  ARG  51           HD1      ARG  51  -0.359   3.209  -8.551
  368    HE   ARG  51           HE       ARG  51   0.948   4.304 -10.730
  369   HH11  ARG  51          HH11      ARG  51  -2.347   4.110  -9.588
  370   HH12  ARG  51          HH12      ARG  51  -2.870   5.559 -10.311
  371   HH21  ARG  51          HH21      ARG  51   0.325   6.333 -11.668
  372   HH22  ARG  51          HH22      ARG  51  -1.256   6.919 -11.477
  373    H    LEU  52           HN       LEU  52   2.475   0.201  -6.299
  374    HA   LEU  52           HA       LEU  52   4.554   2.120  -6.427
  375    HB2  LEU  52           HB2      LEU  52   3.646   0.371  -4.145
  376    HB3  LEU  52           HB1      LEU  52   4.815   1.670  -3.992
  377    HG   LEU  52           HG       LEU  52   1.924   1.994  -4.802
  378   HD11  LEU  52          HD11      LEU  52   1.673   3.104  -2.649
  379   HD12  LEU  52          HD12      LEU  52   3.350   2.724  -2.256
  380   HD13  LEU  52          HD13      LEU  52   2.174   1.425  -2.457
  381   HD21  LEU  52          HD21      LEU  52   2.360   4.398  -4.619
  382   HD22  LEU  52          HD22      LEU  52   3.352   3.654  -5.873
  383   HD23  LEU  52          HD23      LEU  52   4.065   4.066  -4.316
  384    H    GLU  53           HN       GLU  53   4.529  -1.371  -5.861
  385    HA   GLU  53           HA       GLU  53   7.213  -1.794  -5.326
  386    HB2  GLU  53           HB2      GLU  53   5.319  -3.568  -6.860
  387    HB3  GLU  53           HB1      GLU  53   6.900  -4.070  -6.299
  388    HG2  GLU  53           HG2      GLU  53   6.146  -3.720  -3.976
  389    HG3  GLU  53           HG1      GLU  53   4.561  -3.271  -4.601
  390    H    SER  54           HN       SER  54   5.572  -2.035  -8.436
  391    HA   SER  54           HA       SER  54   7.847  -2.580  -9.976
  392    HB2  SER  54           HB2      SER  54   5.272  -1.275 -10.856
  393    HB3  SER  54           HB1      SER  54   6.432  -2.106 -11.896
  394    HG   SER  54           HG       SER  54   4.389  -3.163 -10.741
  395    H    ARG  55           HN       ARG  55   6.386   0.478  -9.051
  396    HA   ARG  55           HA       ARG  55   7.701   2.131 -10.929
  397    HB2  ARG  55           HB2      ARG  55   5.662   2.719  -9.627
  398    HB3  ARG  55           HB1      ARG  55   6.695   2.947  -8.222
  399    HG2  ARG  55           HG2      ARG  55   7.923   4.697  -9.427
  400    HG3  ARG  55           HG1      ARG  55   6.835   4.484 -10.804
  401    HD2  ARG  55           HD2      ARG  55   4.956   4.916  -9.144
  402    HD3  ARG  55           HD1      ARG  55   6.216   5.499  -8.058
  403    HE   ARG  55           HE       ARG  55   6.780   6.982 -10.048
  404   HH11  ARG  55          HH11      ARG  55   3.501   5.954  -9.102
  405   HH12  ARG  55          HH12      ARG  55   2.706   7.344  -9.647
  406   HH21  ARG  55          HH21      ARG  55   5.702   8.865 -10.953
  407   HH22  ARG  55          HH22      ARG  55   3.998   9.023 -10.825
  408    H    TYR  56           HN       TYR  56   8.532   1.221  -7.611
  409    HA   TYR  56           HA       TYR  56  10.909   2.926  -7.835
  410    HB2  TYR  56           HB2      TYR  56   9.854   1.575  -5.352
  411    HB3  TYR  56           HB1      TYR  56  11.092   2.821  -5.438
  412    HD1  TYR  56           HD2      TYR  56  10.287   5.090  -6.616
  413    HD2  TYR  56           HD1      TYR  56   7.712   2.226  -4.831
  414    HE1  TYR  56           HE2      TYR  56   8.529   6.802  -6.400
  415    HE2  TYR  56           HE1      TYR  56   5.960   3.916  -4.618
  416    HH   TYR  56           HH       TYR  56   5.837   6.343  -4.445
  417    H    GLY  57           HN       GLY  57  10.121  -0.141  -8.468
  418    HA2  GLY  57           HA2      GLY  57  11.442  -1.939  -9.000
  419    HA3  GLY  57           HA1      GLY  57  12.844  -0.963  -8.577
  420    H    VAL  58           HN       VAL  58  10.064  -2.033  -6.676
  421    HA   VAL  58           HA       VAL  58  11.953  -3.471  -4.981
  422    HB   VAL  58           HB       VAL  58  10.762  -2.791  -2.938
  423   HG11  VAL  58          HG11      VAL  58  11.691  -0.441  -4.577
  424   HG12  VAL  58          HG12      VAL  58  12.699  -1.500  -3.591
  425   HG13  VAL  58          HG13      VAL  58  11.502  -0.458  -2.823
  426   HG21  VAL  58          HG21      VAL  58   9.137  -0.944  -2.976
  427   HG22  VAL  58          HG22      VAL  58   8.554  -2.363  -3.844
  428   HG23  VAL  58          HG23      VAL  58   9.168  -0.968  -4.742
  429    H    SER  59           HN       SER  59  10.646  -4.992  -3.409
  430    HA   SER  59           HA       SER  59   8.200  -5.921  -4.679
  431    HB2  SER  59           HB2      SER  59  10.604  -7.693  -4.219
  432    HB3  SER  59           HB1      SER  59   9.017  -8.234  -4.762
  433    HG   SER  59           HG       SER  59  10.216  -6.168  -6.166
  434    H    ILE  60           HN       ILE  60   6.760  -6.552  -3.290
  435    HA   ILE  60           HA       ILE  60   7.451  -7.016  -0.453
  436    HB   ILE  60           HB       ILE  60   4.746  -6.545  -1.769
  437   HG12  ILE  60          HG12      ILE  60   6.329  -4.622  -0.066
  438   HG13  ILE  60          HG11      ILE  60   6.225  -4.534  -1.826
  439   HG21  ILE  60          HG21      ILE  60   3.888  -6.229   0.511
  440   HG22  ILE  60          HG22      ILE  60   5.477  -6.635   1.161
  441   HG23  ILE  60          HG23      ILE  60   4.551  -7.848   0.277
  442   HD11  ILE  60          HD11      ILE  60   3.807  -4.206  -1.644
  443   HD12  ILE  60          HD12      ILE  60   4.707  -2.963  -0.773
  444   HD13  ILE  60          HD13      ILE  60   3.934  -4.276   0.114
  445    HA   PRO  61           HA       PRO  61   6.690 -11.439  -1.253
  446    HB2  PRO  61           HB2      PRO  61   5.652 -11.269   1.557
  447    HB3  PRO  61           HB1      PRO  61   6.770 -12.440   0.838
  448    HG2  PRO  61           HG2      PRO  61   7.702 -10.523   2.411
  449    HG3  PRO  61           HG1      PRO  61   8.578 -10.980   0.938
  450    HD2  PRO  61           HD2      PRO  61   6.868  -8.586   1.459
  451    HD3  PRO  61           HD1      PRO  61   8.359  -8.723   0.501
  452    H    ASP  62           HN       ASP  62   4.924 -12.241  -2.213
  453    HA   ASP  62           HA       ASP  62   2.384 -11.063  -2.416
  454    HB2  ASP  62           HB2      ASP  62   2.990 -14.024  -2.653
  455    HB3  ASP  62           HB1      ASP  62   1.529 -13.240  -3.214
  456    H    ASP  63           HN       ASP  63   3.640 -13.441  -0.240
  457    HA   ASP  63           HA       ASP  63   1.224 -14.253   0.998
  458    HB2  ASP  63           HB2      ASP  63   3.295 -15.578   0.995
  459    HB3  ASP  63           HB1      ASP  63   4.088 -14.344   1.963
  460    H    VAL  64           HN       VAL  64   3.572 -11.757   1.609
  461    HA   VAL  64           HA       VAL  64   2.409 -11.014   4.133
  462    HB   VAL  64           HB       VAL  64   4.601  -9.651   2.521
  463   HG11  VAL  64          HG11      VAL  64   5.079  -8.356   4.550
  464   HG12  VAL  64          HG12      VAL  64   3.676  -9.076   5.345
  465   HG13  VAL  64          HG13      VAL  64   3.456  -8.019   3.950
  466   HG21  VAL  64          HG21      VAL  64   5.229 -11.835   3.378
  467   HG22  VAL  64          HG22      VAL  64   4.715 -11.368   4.998
  468   HG23  VAL  64          HG23      VAL  64   6.088 -10.562   4.239
  469    H    ALA  65           HN       ALA  65   2.254  -9.855   0.799
  470    HA   ALA  65           HA       ALA  65   0.901  -7.432   1.339
  471    HB1  ALA  65           HB1      ALA  65   0.653  -9.134  -1.154
  472    HB2  ALA  65           HB2      ALA  65   1.864  -7.874  -0.882
  473    HB3  ALA  65           HB3      ALA  65   0.155  -7.456  -0.996
  474    H    GLY  66           HN       GLY  66  -0.241 -10.707   1.157
  475    HA2  GLY  66           HA2      GLY  66  -3.010  -9.820   1.439
  476    HA3  GLY  66           HA1      GLY  66  -2.463 -11.481   1.231
  477    H    ARG  67           HN       ARG  67  -0.595  -9.818   3.464
  478    HA   ARG  67           HA       ARG  67  -2.099 -10.989   5.712
  479    HB2  ARG  67           HB2      ARG  67  -0.062 -12.249   5.036
  480    HB3  ARG  67           HB1      ARG  67   0.943 -10.872   5.412
  481    HG2  ARG  67           HG2      ARG  67  -0.147 -11.071   7.774
  482    HG3  ARG  67           HG1      ARG  67  -0.620 -12.683   7.233
  483    HD2  ARG  67           HD2      ARG  67   1.435 -12.916   8.386
  484    HD3  ARG  67           HD1      ARG  67   1.792 -13.081   6.667
  485    HE   ARG  67           HE       ARG  67   2.066 -10.399   7.678
  486   HH11  ARG  67          HH11      ARG  67   3.775 -13.448   7.078
  487   HH12  ARG  67          HH12      ARG  67   5.324 -12.769   7.210
  488   HH21  ARG  67          HH21      ARG  67   4.118  -9.475   7.862
  489   HH22  ARG  67          HH22      ARG  67   5.548 -10.415   7.653
  490    H    VAL  68           HN       VAL  68  -1.332  -8.159   4.347
  491    HA   VAL  68           HA       VAL  68  -0.163  -6.845   6.615
  492    HB   VAL  68           HB       VAL  68  -0.439  -4.706   5.267
  493   HG11  VAL  68          HG11      VAL  68   1.082  -6.959   3.997
  494   HG12  VAL  68          HG12      VAL  68   1.648  -5.919   5.304
  495   HG13  VAL  68          HG13      VAL  68   1.345  -5.240   3.704
  496   HG21  VAL  68          HG21      VAL  68  -0.932  -4.933   2.882
  497   HG22  VAL  68          HG22      VAL  68  -2.312  -5.409   3.869
  498   HG23  VAL  68          HG23      VAL  68  -1.296  -6.643   3.120
  499    H    ASP  69           HN       ASP  69  -0.994  -5.600   8.004
  500    HA   ASP  69           HA       ASP  69  -3.857  -5.802   8.492
  501    HB2  ASP  69           HB2      ASP  69  -2.311  -6.241  10.326
  502    HB3  ASP  69           HB1      ASP  69  -1.582  -4.661  10.128
  503    H    THR  70           HN       THR  70  -1.561  -3.098   8.714
  504    HA   THR  70           HA       THR  70  -3.744  -1.317   7.933
  505    HB   THR  70           HB       THR  70  -2.223   0.447   8.849
  506    HG1  THR  70           HG1      THR  70  -0.826  -1.462  10.308
  507   HG21  THR  70          HG21      THR  70  -3.022  -1.755  10.740
  508   HG22  THR  70          HG22      THR  70  -4.068  -0.450  10.181
  509   HG23  THR  70          HG23      THR  70  -2.674  -0.091  11.209
  510    HA   PRO  71           HA       PRO  71  -1.502  -0.171   4.215
  511    HB2  PRO  71           HB2      PRO  71  -2.040   2.617   5.137
  512    HB3  PRO  71           HB1      PRO  71  -2.351   1.882   3.556
  513    HG2  PRO  71           HG2      PRO  71  -4.359   2.323   5.216
  514    HG3  PRO  71           HG1      PRO  71  -4.280   0.809   4.293
  515    HD2  PRO  71           HD2      PRO  71  -3.609   1.317   7.161
  516    HD3  PRO  71           HD1      PRO  71  -4.452  -0.066   6.427
  517    H    ARG  72           HN       ARG  72  -1.020   1.435   7.319
  518    HA   ARG  72           HA       ARG  72   1.523   2.514   7.038
  519    HB2  ARG  72           HB2      ARG  72   0.120   2.782   9.050
  520    HB3  ARG  72           HB1      ARG  72   0.390   1.099   9.463
  521    HG2  ARG  72           HG2      ARG  72   2.852   1.643   9.573
  522    HG3  ARG  72           HG1      ARG  72   2.391   3.344   9.444
  523    HD2  ARG  72           HD2      ARG  72   1.550   1.398  11.580
  524    HD3  ARG  72           HD1      ARG  72   2.707   2.709  11.764
  525    HE   ARG  72           HE       ARG  72   0.806   4.239  11.277
  526   HH11  ARG  72          HH11      ARG  72   0.163   1.012  12.652
  527   HH12  ARG  72          HH12      ARG  72  -1.246   1.493  13.462
  528   HH21  ARG  72          HH21      ARG  72  -1.187   4.864  12.377
  529   HH22  ARG  72          HH22      ARG  72  -2.067   3.677  13.224
  530    H    GLU  73           HN       GLU  73   0.601  -0.772   8.028
  531    HA   GLU  73           HA       GLU  73   3.217  -1.768   8.273
  532    HB2  GLU  73           HB2      GLU  73   1.338  -2.867   9.330
  533    HB3  GLU  73           HB1      GLU  73   0.599  -3.186   7.772
  534    HG2  GLU  73           HG2      GLU  73   2.303  -4.746   7.204
  535    HG3  GLU  73           HG1      GLU  73   3.248  -4.304   8.627
  536    H    LEU  74           HN       LEU  74   0.972  -1.725   5.594
  537    HA   LEU  74           HA       LEU  74   2.534  -3.251   3.786
  538    HB2  LEU  74           HB2      LEU  74   0.058  -2.732   3.614
  539    HB3  LEU  74           HB1      LEU  74   0.470  -1.093   3.197
  540    HG   LEU  74           HG       LEU  74  -0.305  -2.583   1.320
  541   HD11  LEU  74          HD11      LEU  74   0.887  -0.523   0.824
  542   HD12  LEU  74          HD12      LEU  74   1.336  -1.787  -0.322
  543   HD13  LEU  74          HD13      LEU  74   2.434  -1.355   0.990
  544   HD21  LEU  74          HD21      LEU  74   2.403  -3.850   1.689
  545   HD22  LEU  74          HD22      LEU  74   1.322  -4.123   0.322
  546   HD23  LEU  74          HD23      LEU  74   0.837  -4.619   1.945
  547    H    LEU  75           HN       LEU  75   2.263   0.211   4.400
  548    HA   LEU  75           HA       LEU  75   4.103   1.213   2.568
  549    HB2  LEU  75           HB2      LEU  75   2.545   2.571   3.906
  550    HB3  LEU  75           HB1      LEU  75   3.470   2.209   5.345
  551    HG   LEU  75           HG       LEU  75   5.403   3.416   4.380
  552   HD11  LEU  75          HD11      LEU  75   4.902   3.106   2.029
  553   HD12  LEU  75          HD12      LEU  75   5.062   4.820   2.409
  554   HD13  LEU  75          HD13      LEU  75   3.462   4.110   2.190
  555   HD21  LEU  75          HD21      LEU  75   4.468   5.666   4.640
  556   HD22  LEU  75          HD22      LEU  75   3.862   4.567   5.877
  557   HD23  LEU  75          HD23      LEU  75   2.838   5.005   4.508
  558    H    ASP  76           HN       ASP  76   4.558   0.079   5.880
  559    HA   ASP  76           HA       ASP  76   7.281   0.641   6.174
  560    HB2  ASP  76           HB2      ASP  76   5.869   0.056   8.079
  561    HB3  ASP  76           HB1      ASP  76   5.651  -1.568   7.445
  562    H    LEU  77           HN       LEU  77   5.689  -2.243   4.834
  563    HA   LEU  77           HA       LEU  77   8.006  -3.740   4.448
  564    HB2  LEU  77           HB2      LEU  77   5.230  -3.776   3.500
  565    HB3  LEU  77           HB1      LEU  77   6.375  -4.535   2.428
  566    HG   LEU  77           HG       LEU  77   5.330  -6.188   3.845
  567   HD11  LEU  77          HD11      LEU  77   7.296  -7.238   4.851
  568   HD12  LEU  77          HD12      LEU  77   8.186  -5.727   4.653
  569   HD13  LEU  77          HD13      LEU  77   7.620  -6.608   3.235
  570   HD21  LEU  77          HD21      LEU  77   5.622  -6.201   6.284
  571   HD22  LEU  77          HD22      LEU  77   4.716  -4.786   5.745
  572   HD23  LEU  77          HD23      LEU  77   6.416  -4.630   6.190
  573    H    ILE  78           HN       ILE  78   6.418  -1.283   2.511
  574    HA   ILE  78           HA       ILE  78   8.155  -1.633   0.267
  575    HB   ILE  78           HB       ILE  78   6.399   0.764   0.936
  576   HG12  ILE  78          HG12      ILE  78   5.924  -1.626  -0.855
  577   HG13  ILE  78          HG11      ILE  78   5.103  -1.276   0.657
  578   HG21  ILE  78          HG21      ILE  78   7.745  -0.011  -1.667
  579   HG22  ILE  78          HG22      ILE  78   8.205   1.338  -0.626
  580   HG23  ILE  78          HG23      ILE  78   6.644   1.350  -1.445
  581   HD11  ILE  78          HD11      ILE  78   4.096   0.713  -0.374
  582   HD12  ILE  78          HD12      ILE  78   3.702  -0.773  -1.236
  583   HD13  ILE  78          HD13      ILE  78   4.913   0.319  -1.892
  584    H    ASN  79           HN       ASN  79   8.071   0.481   3.073
  585    HA   ASN  79           HA       ASN  79  10.241   2.127   2.299
  586    HB2  ASN  79           HB2      ASN  79   9.046   1.509   4.985
  587    HB3  ASN  79           HB1      ASN  79  10.549   2.408   4.891
  588   HD21  ASN  79          HD21      ASN  79   7.863   2.692   2.613
  589   HD22  ASN  79          HD22      ASN  79   7.459   4.318   3.067
  590    H    GLY  80           HN       GLY  80  10.127  -0.867   4.152
  591    HA2  GLY  80           HA2      GLY  80  12.904  -1.064   4.584
  592    HA3  GLY  80           HA1      GLY  80  11.760  -2.403   4.600
  593    H    ALA  81           HN       ALA  81  10.857  -1.979   1.905
  594    HA   ALA  81           HA       ALA  81  12.859  -3.448   0.510
  595    HB1  ALA  81           HB1      ALA  81  10.307  -2.231  -0.552
  596    HB2  ALA  81           HB2      ALA  81  10.442  -3.822   0.194
  597    HB3  ALA  81           HB3      ALA  81  11.278  -3.490  -1.323
  598    H    LEU  82           HN       LEU  82  11.911  -0.129   0.681
  599    HA   LEU  82           HA       LEU  82  13.188   0.784  -1.662
  600    HB2  LEU  82           HB2      LEU  82  12.393   2.240   0.848
  601    HB3  LEU  82           HB1      LEU  82  13.087   3.044  -0.546
  602    HG   LEU  82           HG       LEU  82  10.484   1.512  -0.544
  603   HD11  LEU  82          HD11      LEU  82  10.338   3.550   0.778
  604   HD12  LEU  82          HD12      LEU  82   9.433   3.703  -0.728
  605   HD13  LEU  82          HD13      LEU  82  11.010   4.478  -0.563
  606   HD21  LEU  82          HD21      LEU  82  11.762   3.255  -2.648
  607   HD22  LEU  82          HD22      LEU  82  10.165   2.515  -2.750
  608   HD23  LEU  82          HD23      LEU  82  11.606   1.500  -2.713
  609    H    ALA  83           HN       ALA  83  14.483  -0.332   1.230
  610    HA   ALA  83           HA       ALA  83  16.841   1.193   1.378
  611    HB1  ALA  83           HB1      ALA  83  16.415  -1.680   2.207
  612    HB2  ALA  83           HB2      ALA  83  16.096  -0.263   3.209
  613    HB3  ALA  83           HB3      ALA  83  17.747  -0.641   2.711
  614    H    GLU  84           HN       GLU  84  15.929  -1.597  -0.541
  615    HA   GLU  84           HA       GLU  84  18.590  -1.701  -1.704
  616    HB2  GLU  84           HB2      GLU  84  17.768  -3.717  -2.938
  617    HB3  GLU  84           HB1      GLU  84  17.605  -3.875  -1.198
  618    HG2  GLU  84           HG2      GLU  84  15.180  -3.134  -1.541
  619    HG3  GLU  84           HG1      GLU  84  15.467  -3.427  -3.248
  620    H    ALA  85           HN       ALA  85  15.267  -1.354  -2.841
  621    HA   ALA  85           HA       ALA  85  14.319  -0.478  -4.690
  622    HB1  ALA  85           HB1      ALA  85  16.100   1.848  -4.031
  623    HB2  ALA  85           HB2      ALA  85  14.617   1.426  -3.177
  624    HB3  ALA  85           HB3      ALA  85  14.554   1.897  -4.876
  625    H    ALA  86           HN       ALA  86  14.825  -1.651  -6.415
  626    HA   ALA  86           HA       ALA  86  15.655  -2.253  -8.398
  627    HB1  ALA  86           HB1      ALA  86  14.601  -0.101  -8.953
  628    HB2  ALA  86           HB2      ALA  86  15.957  -0.475 -10.015
  629    HB3  ALA  86           HB3      ALA  86  16.153   0.705  -8.721
  630   H281  PSR  87          H28A      PSR  87  -7.916 -10.700  -6.656
  631   H282  PSR  87          H28B      PSR  87  -7.083  -9.610  -5.549
  632   H301  PSR  87          H30A      PSR  87  -4.520  -9.655  -7.970
  633   H302  PSR  87          H30B      PSR  87  -5.439  -8.758  -6.753
  634   H303  PSR  87          H30C      PSR  87  -6.249  -9.384  -8.187
  635   H311  PSR  87          H31A      PSR  87  -4.839 -11.984  -5.152
  636   H312  PSR  87          H31B      PSR  87  -4.512 -10.254  -5.081
  637   H313  PSR  87          H31C      PSR  87  -3.695 -11.255  -6.282
  638   H321  PSR  87          H32A      PSR  87  -4.893 -12.298  -8.138
  639   H331  PSR  87          H33A      PSR  87  -7.588 -11.796  -8.672
  640   H361  PSR  87          H36A      PSR  87  -5.112 -13.474  -5.833
  641   H371  PSR  87          H37A      PSR  87  -7.262 -15.446  -6.099
  642   H372  PSR  87          H37B      PSR  87  -5.636 -15.847  -5.504
  643   H381  PSR  87          H38A      PSR  87  -7.538 -13.911  -4.140
  644   H382  PSR  87          H38B      PSR  87  -7.558 -15.618  -3.850
  645   H411  PSR  87          H41A      PSR  87  -6.926 -13.293  -2.191
  646   H421  PSR  87          H42A      PSR  87  -5.736 -13.791  -0.080
  647   H422  PSR  87          H42B      PSR  87  -4.313 -14.115  -1.073
  648   H431  PSR  87          H43A      PSR  87  -4.236 -11.890  -0.020
  649   H432  PSR  87          H43B      PSR  87  -5.731 -11.451  -0.878
  650   HC21  PSR  87          H2A       PSR  87  -2.346  -8.338  -2.473
  651   HC22  PSR  87          H2B       PSR  87  -3.057  -9.237  -3.810
  652   HC31  PSR  87          H3A       PSR  87  -1.518 -11.107  -3.382
  653   HC32  PSR  87          H3B       PSR  87  -0.791 -10.191  -2.052
  654   HC41  PSR  87          H4C       PSR  87  -0.885  -9.354  -4.951
  655   HC42  PSR  87          H4A       PSR  87   0.527  -9.998  -4.110
  656   HC43  PSR  87          H4B       PSR  87  -0.150  -8.439  -3.636
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  19.549   7.508   3.447
    2    H2   MET   1           HT2      MET   1  20.024   5.923   3.174
    3    H3   MET   1           HT3      MET   1  20.373   6.649   4.645
    4    HA   MET   1           HA       MET   1  18.579   5.067   4.734
    5    HB2  MET   1           HB2      MET   1  16.838   6.600   5.826
    6    HB3  MET   1           HB1      MET   1  18.456   6.605   6.491
    7    HG2  MET   1           HG2      MET   1  17.644   8.836   6.477
    8    HG3  MET   1           HG1      MET   1  18.897   8.708   5.257
    9    HE1  MET   1           HE1      MET   1  15.045   9.003   5.951
   10    HE2  MET   1           HE2      MET   1  15.138   7.507   5.023
   11    HE3  MET   1           HE3      MET   1  14.378   8.933   4.320
   12    H    ALA   2           HN       ALA   2  18.573   6.702   1.917
   13    HA   ALA   2           HA       ALA   2  17.529   6.332   0.019
   14    HB1  ALA   2           HB1      ALA   2  17.197   3.996   0.737
   15    HB2  ALA   2           HB2      ALA   2  15.870   4.579  -0.266
   16    HB3  ALA   2           HB3      ALA   2  15.664   4.454   1.480
   17    H    THR   3           HN       THR   3  15.397   6.676  -1.129
   18    HA   THR   3           HA       THR   3  14.103   8.985   0.046
   19    HB   THR   3           HB       THR   3  13.501   7.526  -2.470
   20    HG1  THR   3           HG1      THR   3  15.656   9.151  -1.772
   21   HG21  THR   3          HG21      THR   3  13.118  10.423  -1.672
   22   HG22  THR   3          HG22      THR   3  11.852   9.208  -1.825
   23   HG23  THR   3          HG23      THR   3  12.722   9.757  -3.257
   24    H    LEU   4           HN       LEU   4  12.634   8.405   1.565
   25    HA   LEU   4           HA       LEU   4  11.158   5.927   1.205
   26    HB2  LEU   4           HB2      LEU   4  11.271   7.776   3.580
   27    HB3  LEU   4           HB1      LEU   4  10.372   6.275   3.520
   28    HG   LEU   4           HG       LEU   4  13.370   6.588   3.415
   29   HD11  LEU   4          HD11      LEU   4  11.548   5.327   5.444
   30   HD12  LEU   4          HD12      LEU   4  12.421   6.851   5.633
   31   HD13  LEU   4          HD13      LEU   4  13.309   5.326   5.499
   32   HD21  LEU   4          HD21      LEU   4  11.703   4.085   3.228
   33   HD22  LEU   4          HD22      LEU   4  13.460   4.139   3.378
   34   HD23  LEU   4          HD23      LEU   4  12.675   4.786   1.935
   35    H    LEU   5           HN       LEU   5   8.897   5.841   1.617
   36    HA   LEU   5           HA       LEU   5   7.552   7.907   0.123
   37    HB2  LEU   5           HB2      LEU   5   6.472   5.371   1.335
   38    HB3  LEU   5           HB1      LEU   5   5.626   6.419   0.215
   39    HG   LEU   5           HG       LEU   5   8.034   4.713  -0.357
   40   HD11  LEU   5          HD11      LEU   5   5.203   4.610  -1.375
   41   HD12  LEU   5          HD12      LEU   5   5.946   3.491  -0.228
   42   HD13  LEU   5          HD13      LEU   5   6.527   3.565  -1.890
   43   HD21  LEU   5          HD21      LEU   5   8.213   6.821  -1.540
   44   HD22  LEU   5          HD22      LEU   5   6.564   6.637  -2.132
   45   HD23  LEU   5          HD23      LEU   5   7.821   5.513  -2.662
   46    H    THR   6           HN       THR   6   5.933   9.179   0.896
   47    HA   THR   6           HA       THR   6   5.825   9.451   3.775
   48    HB   THR   6           HB       THR   6   4.756  11.647   3.131
   49    HG1  THR   6           HG1      THR   6   5.394  12.094   0.740
   50   HG21  THR   6          HG21      THR   6   7.514  11.097   1.995
   51   HG22  THR   6          HG22      THR   6   7.157  11.484   3.678
   52   HG23  THR   6          HG23      THR   6   6.873  12.685   2.420
   53    H    THR   7           HN       THR   7   3.489  10.303   4.426
   54    HA   THR   7           HA       THR   7   1.562   8.367   3.997
   55    HB   THR   7           HB       THR   7   0.983  11.277   4.575
   56    HG1  THR   7           HG1      THR   7   1.205   9.978   6.848
   57   HG21  THR   7          HG21      THR   7  -0.328   8.703   5.478
   58   HG22  THR   7          HG22      THR   7  -0.962   9.810   4.260
   59   HG23  THR   7          HG23      THR   7  -0.833  10.328   5.942
   60    H    ASP   8           HN       ASP   8   2.017  11.544   2.479
   61    HA   ASP   8           HA       ASP   8  -0.211  11.610   0.791
   62    HB2  ASP   8           HB2      ASP   8   1.233  13.548   1.333
   63    HB3  ASP   8           HB1      ASP   8   2.501  12.861   0.333
   64    H    ASP   9           HN       ASP   9   3.095  10.465   0.121
   65    HA   ASP   9           HA       ASP   9   2.651   9.963  -2.648
   66    HB2  ASP   9           HB2      ASP   9   4.914  10.230  -1.428
   67    HB3  ASP   9           HB1      ASP   9   4.728   8.533  -0.995
   68    H    LEU  10           HN       LEU  10   2.480   7.991   0.221
   69    HA   LEU  10           HA       LEU  10   1.858   5.527  -1.039
   70    HB2  LEU  10           HB2      LEU  10   2.639   5.663   1.259
   71    HB3  LEU  10           HB1      LEU  10   1.221   6.582   1.717
   72    HG   LEU  10           HG       LEU  10  -0.135   4.548   1.052
   73   HD11  LEU  10          HD11      LEU  10   1.503   3.404  -0.290
   74   HD12  LEU  10          HD12      LEU  10   1.019   2.392   1.069
   75   HD13  LEU  10          HD13      LEU  10   2.568   3.233   1.105
   76   HD21  LEU  10          HD21      LEU  10   0.285   3.399   3.174
   77   HD22  LEU  10          HD22      LEU  10   0.234   5.149   3.365
   78   HD23  LEU  10          HD23      LEU  10   1.784   4.308   3.359
   79    H    ARG  11           HN       ARG  11  -0.123   8.024   0.478
   80    HA   ARG  11           HA       ARG  11  -2.650   6.959   0.459
   81    HB2  ARG  11           HB2      ARG  11  -1.999   9.105   1.480
   82    HB3  ARG  11           HB1      ARG  11  -1.955   9.833  -0.115
   83    HG2  ARG  11           HG2      ARG  11  -4.405   9.182  -0.322
   84    HG3  ARG  11           HG1      ARG  11  -4.329   8.814   1.407
   85    HD2  ARG  11           HD2      ARG  11  -5.152  11.064   1.102
   86    HD3  ARG  11           HD1      ARG  11  -3.542  11.115   1.834
   87    HE   ARG  11           HE       ARG  11  -3.951  11.437  -1.051
   88   HH11  ARG  11          HH11      ARG  11  -2.624  12.715   2.017
   89   HH12  ARG  11          HH12      ARG  11  -1.778  13.972   1.250
   90   HH21  ARG  11          HH21      ARG  11  -2.740  13.170  -2.049
   91   HH22  ARG  11          HH22      ARG  11  -1.761  14.174  -1.082
   92    H    ARG  12           HN       ARG  12  -1.134   8.821  -2.108
   93    HA   ARG  12           HA       ARG  12  -3.338   9.014  -3.793
   94    HB2  ARG  12           HB2      ARG  12  -1.812   9.592  -5.561
   95    HB3  ARG  12           HB1      ARG  12  -1.282  10.339  -4.063
   96    HG2  ARG  12           HG2      ARG  12   0.383   8.557  -3.801
   97    HG3  ARG  12           HG1      ARG  12  -0.125   7.889  -5.352
   98    HD2  ARG  12           HD2      ARG  12   1.822   9.194  -5.705
   99    HD3  ARG  12           HD1      ARG  12   0.451  10.062  -6.389
  100    HE   ARG  12           HE       ARG  12   0.565  11.152  -3.998
  101   HH11  ARG  12          HH11      ARG  12   3.053  10.625  -6.460
  102   HH12  ARG  12          HH12      ARG  12   4.161  11.719  -5.794
  103   HH21  ARG  12          HH21      ARG  12   2.086  12.700  -3.072
  104   HH22  ARG  12          HH22      ARG  12   3.562  12.962  -3.878
  105    H    ALA  13           HN       ALA  13  -0.972   6.416  -3.497
  106    HA   ALA  13           HA       ALA  13  -1.801   5.018  -5.825
  107    HB1  ALA  13           HB1      ALA  13  -0.326   4.003  -3.389
  108    HB2  ALA  13           HB2      ALA  13   0.421   4.679  -4.835
  109    HB3  ALA  13           HB3      ALA  13  -0.471   3.160  -4.931
  110    H    LEU  14           HN       LEU  14  -2.599   4.813  -2.409
  111    HA   LEU  14           HA       LEU  14  -4.294   2.554  -2.504
  112    HB2  LEU  14           HB2      LEU  14  -4.174   4.929  -0.645
  113    HB3  LEU  14           HB1      LEU  14  -5.414   3.724  -0.476
  114    HG   LEU  14           HG       LEU  14  -3.702   3.396   1.158
  115   HD11  LEU  14          HD11      LEU  14  -3.562   1.249  -0.913
  116   HD12  LEU  14          HD12      LEU  14  -4.757   1.416   0.373
  117   HD13  LEU  14          HD13      LEU  14  -3.067   1.095   0.774
  118   HD21  LEU  14          HD21      LEU  14  -1.769   3.120  -1.116
  119   HD22  LEU  14          HD22      LEU  14  -1.418   2.789   0.581
  120   HD23  LEU  14          HD23      LEU  14  -1.829   4.427   0.066
  121    H    VAL  15           HN       VAL  15  -5.059   6.009  -2.523
  122    HA   VAL  15           HA       VAL  15  -7.818   5.806  -2.710
  123    HB   VAL  15           HB       VAL  15  -6.006   8.049  -3.679
  124   HG11  VAL  15          HG11      VAL  15  -7.961   9.485  -3.557
  125   HG12  VAL  15          HG12      VAL  15  -8.970   8.090  -3.174
  126   HG13  VAL  15          HG13      VAL  15  -8.191   8.206  -4.751
  127   HG21  VAL  15          HG21      VAL  15  -7.558   7.682  -1.123
  128   HG22  VAL  15          HG22      VAL  15  -6.619   9.107  -1.571
  129   HG23  VAL  15          HG23      VAL  15  -5.809   7.566  -1.307
  130    H    GLU  16           HN       GLU  16  -5.445   5.886  -5.286
  131    HA   GLU  16           HA       GLU  16  -7.404   6.055  -7.331
  132    HB2  GLU  16           HB2      GLU  16  -4.465   5.553  -7.387
  133    HB3  GLU  16           HB1      GLU  16  -5.410   5.611  -8.860
  134    HG2  GLU  16           HG2      GLU  16  -6.158   7.885  -8.237
  135    HG3  GLU  16           HG1      GLU  16  -5.125   7.797  -6.814
  136    H    SER  17           HN       SER  17  -5.712   3.308  -5.851
  137    HA   SER  17           HA       SER  17  -6.745   1.530  -7.842
  138    HB2  SER  17           HB2      SER  17  -5.771  -0.263  -6.256
  139    HB3  SER  17           HB1      SER  17  -4.664   0.931  -6.902
  140    HG   SER  17           HG       SER  17  -5.900   1.249  -4.363
  141    H    ALA  18           HN       ALA  18  -7.763   2.741  -4.767
  142    HA   ALA  18           HA       ALA  18  -9.831   0.829  -4.355
  143    HB1  ALA  18           HB1      ALA  18  -9.460   3.591  -3.191
  144    HB2  ALA  18           HB2      ALA  18  -8.853   2.089  -2.495
  145    HB3  ALA  18           HB3      ALA  18 -10.590   2.374  -2.604
  146    H    GLY  19           HN       GLY  19  -9.850   4.269  -5.372
  147    HA2  GLY  19           HA2      GLY  19 -11.162   4.394  -7.582
  148    HA3  GLY  19           HA1      GLY  19 -12.470   3.765  -6.595
  149    H    GLU  20           HN       GLU  20 -11.915   5.247  -4.222
  150    HA   GLU  20           HA       GLU  20 -12.510   7.150  -3.208
  151    HB2  GLU  20           HB2      GLU  20 -10.486   8.068  -4.431
  152    HB3  GLU  20           HB1      GLU  20 -11.531   8.516  -5.761
  153    HG2  GLU  20           HG2      GLU  20 -12.713  10.083  -4.231
  154    HG3  GLU  20           HG1      GLU  20 -11.546   9.671  -2.975
  155    H    THR  21           HN       THR  21 -14.413   5.612  -4.494
  156    HA   THR  21           HA       THR  21 -16.119   7.363  -6.053
  157    HB   THR  21           HB       THR  21 -16.413   4.394  -5.475
  158    HG1  THR  21           HG1      THR  21 -15.122   4.011  -7.145
  159   HG21  THR  21          HG21      THR  21 -18.439   5.480  -6.307
  160   HG22  THR  21          HG22      THR  21 -17.776   4.377  -7.520
  161   HG23  THR  21          HG23      THR  21 -17.550   6.128  -7.689
  162    H    ASP  22           HN       ASP  22 -15.677   7.098  -2.978
  163    HA   ASP  22           HA       ASP  22 -16.804   7.535  -1.052
  164    HB2  ASP  22           HB2      ASP  22 -19.131   8.252  -2.870
  165    HB3  ASP  22           HB1      ASP  22 -19.139   8.486  -1.130
  166    H    GLY  23           HN       GLY  23 -17.073   5.929   0.185
  167    HA2  GLY  23           HA2      GLY  23 -19.131   4.684   1.112
  168    HA3  GLY  23           HA1      GLY  23 -19.101   3.895  -0.458
  169    H    THR  24           HN       THR  24 -17.477   2.453  -0.941
  170    HA   THR  24           HA       THR  24 -16.258   1.210   1.409
  171    HB   THR  24           HB       THR  24 -16.452   0.175  -1.443
  172    HG1  THR  24           HG1      THR  24 -18.213  -1.082   0.110
  173   HG21  THR  24          HG21      THR  24 -14.843  -0.990  -0.007
  174   HG22  THR  24          HG22      THR  24 -16.216  -2.030  -0.376
  175   HG23  THR  24          HG23      THR  24 -16.100  -1.250   1.203
  176    H    ASP  25           HN       ASP  25 -14.656   3.027   1.426
  177    HA   ASP  25           HA       ASP  25 -12.540   2.620  -0.521
  178    HB2  ASP  25           HB2      ASP  25 -14.245   4.340  -1.368
  179    HB3  ASP  25           HB1      ASP  25 -13.642   5.392  -0.092
  180    H    LEU  26           HN       LEU  26 -10.929   4.656   0.058
  181    HA   LEU  26           HA       LEU  26 -10.522   4.622   2.944
  182    HB2  LEU  26           HB2      LEU  26  -8.074   4.182   2.437
  183    HB3  LEU  26           HB1      LEU  26  -9.207   2.854   2.360
  184    HG   LEU  26           HG       LEU  26  -9.148   2.985  -0.106
  185   HD11  LEU  26          HD11      LEU  26  -8.581   5.347  -0.367
  186   HD12  LEU  26          HD12      LEU  26  -7.428   4.307  -1.205
  187   HD13  LEU  26          HD13      LEU  26  -6.996   5.042   0.339
  188   HD21  LEU  26          HD21      LEU  26  -6.880   2.122  -0.319
  189   HD22  LEU  26          HD22      LEU  26  -7.723   1.491   1.098
  190   HD23  LEU  26          HD23      LEU  26  -6.519   2.766   1.286
  191    H    SER  27           HN       SER  27 -10.664   6.416   0.174
  192    HA   SER  27           HA       SER  27  -8.653   8.288   0.396
  193    HB2  SER  27           HB2      SER  27 -10.361   9.853  -0.730
  194    HB3  SER  27           HB1      SER  27  -9.931   8.366  -1.577
  195    HG   SER  27           HG       SER  27 -11.793   7.455  -0.983
  196    H    GLY  28           HN       GLY  28  -8.251   9.978   1.591
  197    HA2  GLY  28           HA2      GLY  28  -8.900  11.683   3.157
  198    HA3  GLY  28           HA1      GLY  28 -10.172  10.603   3.733
  199    H    ASP  29           HN       ASP  29  -9.659   8.914   5.135
  200    HA   ASP  29           HA       ASP  29  -6.879   8.802   6.005
  201    HB2  ASP  29           HB2      ASP  29  -9.282   9.028   7.849
  202    HB3  ASP  29           HB1      ASP  29  -7.695   8.502   8.394
  203    H    PHE  30           HN       PHE  30  -6.117   6.830   6.495
  204    HA   PHE  30           HA       PHE  30  -7.856   4.479   6.313
  205    HB2  PHE  30           HB2      PHE  30  -6.958   3.677   4.140
  206    HB3  PHE  30           HB1      PHE  30  -7.633   5.279   3.992
  207    HD1  PHE  30           HD2      PHE  30  -6.210   7.275   3.788
  208    HD2  PHE  30           HD1      PHE  30  -4.580   3.348   3.744
  209    HE1  PHE  30           HE2      PHE  30  -4.105   8.159   2.898
  210    HE2  PHE  30           HE1      PHE  30  -2.465   4.234   2.856
  211    HZ   PHE  30           HZ       PHE  30  -2.229   6.651   2.438
  212    H    LEU  31           HN       LEU  31  -4.714   5.947   6.690
  213    HA   LEU  31           HA       LEU  31  -2.922   3.936   6.413
  214    HB2  LEU  31           HB2      LEU  31  -2.465   6.294   6.598
  215    HB3  LEU  31           HB1      LEU  31  -2.794   6.252   8.323
  216    HG   LEU  31           HG       LEU  31  -0.876   4.635   8.512
  217   HD11  LEU  31          HD11      LEU  31  -0.778   3.921   6.188
  218   HD12  LEU  31          HD12      LEU  31   0.758   4.634   6.677
  219   HD13  LEU  31          HD13      LEU  31  -0.368   5.561   5.686
  220   HD21  LEU  31          HD21      LEU  31  -0.675   6.970   9.137
  221   HD22  LEU  31          HD22      LEU  31  -0.306   7.397   7.465
  222   HD23  LEU  31          HD23      LEU  31   0.819   6.402   8.392
  223    H    ASP  32           HN       ASP  32  -4.757   4.602   9.383
  224    HA   ASP  32           HA       ASP  32  -3.275   2.472  10.762
  225    HB2  ASP  32           HB2      ASP  32  -4.144   3.366  12.808
  226    HB3  ASP  32           HB1      ASP  32  -3.501   4.697  11.853
  227    H    LEU  33           HN       LEU  33  -5.944   2.654   8.912
  228    HA   LEU  33           HA       LEU  33  -7.680   1.040  10.603
  229    HB2  LEU  33           HB2      LEU  33  -8.033   2.132   7.793
  230    HB3  LEU  33           HB1      LEU  33  -9.191   1.083   8.566
  231    HG   LEU  33           HG       LEU  33  -9.561   2.876  10.297
  232   HD11  LEU  33          HD11      LEU  33  -7.906   4.575   8.444
  233   HD12  LEU  33          HD12      LEU  33  -7.475   4.100  10.085
  234   HD13  LEU  33          HD13      LEU  33  -8.862   5.155   9.808
  235   HD21  LEU  33          HD21      LEU  33 -11.073   2.586   8.438
  236   HD22  LEU  33          HD22      LEU  33 -10.068   3.633   7.432
  237   HD23  LEU  33          HD23      LEU  33 -10.904   4.295   8.838
  238    H    ARG  34           HN       ARG  34  -8.360  -1.112   9.868
  239    HA   ARG  34           HA       ARG  34  -6.151  -2.475   8.596
  240    HB2  ARG  34           HB2      ARG  34  -7.797  -3.361  10.519
  241    HB3  ARG  34           HB1      ARG  34  -8.834  -3.769   9.169
  242    HG2  ARG  34           HG2      ARG  34  -6.006  -4.810   9.506
  243    HG3  ARG  34           HG1      ARG  34  -7.434  -5.663  10.060
  244    HD2  ARG  34           HD2      ARG  34  -8.192  -5.982   7.798
  245    HD3  ARG  34           HD1      ARG  34  -6.954  -4.892   7.175
  246    HE   ARG  34           HE       ARG  34  -5.736  -7.000   8.581
  247   HH11  ARG  34          HH11      ARG  34  -7.711  -6.838   5.605
  248   HH12  ARG  34          HH12      ARG  34  -6.688  -7.822   4.693
  249   HH21  ARG  34          HH21      ARG  34  -4.401  -8.469   7.339
  250   HH22  ARG  34          HH22      ARG  34  -4.726  -8.790   5.712
  251    H    PHE  35           HN       PHE  35  -6.357  -3.433   6.531
  252    HA   PHE  35           HA       PHE  35  -7.561  -1.986   4.569
  253    HB2  PHE  35           HB2      PHE  35  -6.869  -4.924   4.510
  254    HB3  PHE  35           HB1      PHE  35  -7.306  -3.996   3.076
  255    HD1  PHE  35           HD2      PHE  35  -5.854  -2.055   2.416
  256    HD2  PHE  35           HD1      PHE  35  -4.697  -4.853   5.384
  257    HE1  PHE  35           HE2      PHE  35  -3.521  -1.344   2.175
  258    HE2  PHE  35           HE1      PHE  35  -2.359  -4.142   5.156
  259    HZ   PHE  35           HZ       PHE  35  -1.775  -2.356   3.533
  260    H    GLU  36           HN       GLU  36  -9.161  -4.381   6.513
  261    HA   GLU  36           HA       GLU  36 -11.491  -4.981   5.121
  262    HB2  GLU  36           HB2      GLU  36 -11.423  -4.326   8.060
  263    HB3  GLU  36           HB1      GLU  36 -12.512  -5.416   7.225
  264    HG2  GLU  36           HG2      GLU  36  -9.596  -5.817   7.782
  265    HG3  GLU  36           HG1      GLU  36 -10.958  -6.672   8.497
  266    H    ASP  37           HN       ASP  37 -10.597  -2.127   7.008
  267    HA   ASP  37           HA       ASP  37 -13.258  -0.989   7.096
  268    HB2  ASP  37           HB2      ASP  37 -10.584   0.217   7.835
  269    HB3  ASP  37           HB1      ASP  37 -12.155   0.900   8.188
  270    H    ILE  38           HN       ILE  38 -10.528  -0.919   5.082
  271    HA   ILE  38           HA       ILE  38 -11.415   1.598   3.911
  272    HB   ILE  38           HB       ILE  38  -9.205   1.838   2.925
  273   HG12  ILE  38          HG12      ILE  38  -8.525  -0.725   4.391
  274   HG13  ILE  38          HG11      ILE  38  -8.616  -0.555   2.644
  275   HG21  ILE  38          HG21      ILE  38  -7.952   2.168   5.045
  276   HG22  ILE  38          HG22      ILE  38  -9.217   1.269   5.884
  277   HG23  ILE  38          HG23      ILE  38  -9.599   2.797   5.095
  278   HD11  ILE  38          HD11      ILE  38  -6.746   1.011   2.705
  279   HD12  ILE  38          HD12      ILE  38  -6.324  -0.551   3.410
  280   HD13  ILE  38          HD13      ILE  38  -6.656   0.830   4.455
  281    H    GLY  39           HN       GLY  39 -12.462  -1.113   3.495
  282    HA2  GLY  39           HA2      GLY  39 -13.483  -2.255   1.826
  283    HA3  GLY  39           HA1      GLY  39 -13.261  -0.814   0.852
  284    H    TYR  40           HN       TYR  40 -10.659  -2.770   2.188
  285    HA   TYR  40           HA       TYR  40  -9.885  -3.397  -0.548
  286    HB2  TYR  40           HB2      TYR  40  -8.322  -2.815   1.900
  287    HB3  TYR  40           HB1      TYR  40  -7.681  -4.019   0.813
  288    HD1  TYR  40           HD2      TYR  40  -9.638  -1.489  -0.833
  289    HD2  TYR  40           HD1      TYR  40  -5.790  -2.435   0.658
  290    HE1  TYR  40           HE2      TYR  40  -8.653   0.225  -2.292
  291    HE2  TYR  40           HE1      TYR  40  -4.799  -0.744  -0.792
  292    HH   TYR  40           HH       TYR  40  -5.228   0.424  -2.691
  293    H    ASP  41           HN       ASP  41 -10.430  -5.277  -1.206
  294    HA   ASP  41           HA       ASP  41 -10.526  -7.494   0.668
  295    HB2  ASP  41           HB2      ASP  41 -11.448  -7.291  -2.187
  296    HB3  ASP  41           HB1      ASP  41 -11.368  -8.826  -1.328
  297    H    SER  42           HN       SER  42  -8.809  -6.686  -2.361
  298    HA   SER  42           HA       SER  42  -6.458  -8.107  -1.596
  299    HB2  SER  42           HB2      SER  42  -6.725  -9.985  -3.214
  300    HB3  SER  42           HB1      SER  42  -7.860 -10.060  -1.855
  301    H    LEU  43           HN       LEU  43  -8.339  -7.791  -4.574
  302    HA   LEU  43           HA       LEU  43  -6.165  -7.339  -6.297
  303    HB2  LEU  43           HB2      LEU  43  -8.498  -8.096  -6.944
  304    HB3  LEU  43           HB1      LEU  43  -9.015  -6.438  -6.784
  305    HG   LEU  43           HG       LEU  43  -8.685  -7.175  -9.142
  306   HD11  LEU  43          HD11      LEU  43  -6.814  -4.950  -8.334
  307   HD12  LEU  43          HD12      LEU  43  -8.530  -4.791  -8.682
  308   HD13  LEU  43          HD13      LEU  43  -7.412  -5.260  -9.961
  309   HD21  LEU  43          HD21      LEU  43  -6.842  -8.700  -8.809
  310   HD22  LEU  43          HD22      LEU  43  -5.786  -7.360  -8.362
  311   HD23  LEU  43          HD23      LEU  43  -6.416  -7.475 -10.006
  312    H    ALA  44           HN       ALA  44  -8.397  -5.047  -4.811
  313    HA   ALA  44           HA       ALA  44  -7.227  -2.748  -5.946
  314    HB1  ALA  44           HB1      ALA  44  -9.466  -2.738  -4.956
  315    HB2  ALA  44           HB2      ALA  44  -8.443  -1.487  -4.249
  316    HB3  ALA  44           HB3      ALA  44  -8.759  -2.977  -3.356
  317    H    LEU  45           HN       LEU  45  -6.483  -4.616  -3.088
  318    HA   LEU  45           HA       LEU  45  -4.682  -2.760  -1.923
  319    HB2  LEU  45           HB2      LEU  45  -5.769  -4.653  -0.687
  320    HB3  LEU  45           HB1      LEU  45  -4.765  -5.774  -1.572
  321    HG   LEU  45           HG       LEU  45  -3.622  -3.666   0.293
  322   HD11  LEU  45          HD11      LEU  45  -3.384  -5.408   1.914
  323   HD12  LEU  45          HD12      LEU  45  -4.274  -6.544   0.884
  324   HD13  LEU  45          HD13      LEU  45  -5.088  -5.119   1.561
  325   HD21  LEU  45          HD21      LEU  45  -2.482  -6.240  -0.776
  326   HD22  LEU  45          HD22      LEU  45  -1.675  -5.128   0.340
  327   HD23  LEU  45          HD23      LEU  45  -2.039  -4.619  -1.313
  328    H    MET  46           HN       MET  46  -4.203  -5.626  -3.952
  329    HA   MET  46           HA       MET  46  -1.400  -5.243  -4.097
  330    HB2  MET  46           HB2      MET  46  -1.334  -6.854  -5.904
  331    HB3  MET  46           HB1      MET  46  -2.353  -7.434  -4.594
  332    HG2  MET  46           HG2      MET  46  -4.234  -7.296  -5.810
  333    HG3  MET  46           HG1      MET  46  -3.625  -5.953  -6.784
  334    HE1  MET  46           HE1      MET  46  -1.230  -7.832  -9.276
  335    HE2  MET  46           HE2      MET  46  -0.816  -7.049  -7.753
  336    HE3  MET  46           HE3      MET  46  -1.967  -6.288  -8.852
  337    H    GLU  47           HN       GLU  47  -4.040  -3.882  -5.918
  338    HA   GLU  47           HA       GLU  47  -2.468  -3.061  -8.103
  339    HB2  GLU  47           HB2      GLU  47  -4.979  -3.107  -8.074
  340    HB3  GLU  47           HB1      GLU  47  -4.950  -1.700  -7.020
  341    HG2  GLU  47           HG2      GLU  47  -3.878  -0.400  -8.740
  342    HG3  GLU  47           HG1      GLU  47  -3.817  -1.799  -9.810
  343    H    THR  48           HN       THR  48  -3.160  -1.671  -4.949
  344    HA   THR  48           HA       THR  48  -1.775   0.757  -5.185
  345    HB   THR  48           HB       THR  48  -1.945  -1.094  -2.788
  346    HG1  THR  48           HG1      THR  48  -3.838   0.509  -4.037
  347   HG21  THR  48          HG21      THR  48  -1.559   1.891  -2.985
  348   HG22  THR  48          HG22      THR  48  -0.327   0.713  -2.537
  349   HG23  THR  48          HG23      THR  48  -1.721   0.974  -1.487
  350    H    ALA  49           HN       ALA  49  -0.786  -2.407  -3.894
  351    HA   ALA  49           HA       ALA  49   1.868  -1.854  -3.337
  352    HB1  ALA  49           HB1      ALA  49   2.211  -4.236  -3.230
  353    HB2  ALA  49           HB2      ALA  49   0.703  -4.516  -4.097
  354    HB3  ALA  49           HB3      ALA  49   0.670  -3.810  -2.474
  355    H    ALA  50           HN       ALA  50   0.618  -3.596  -6.200
  356    HA   ALA  50           HA       ALA  50   3.030  -4.061  -7.463
  357    HB1  ALA  50           HB1      ALA  50   0.360  -3.585  -8.789
  358    HB2  ALA  50           HB2      ALA  50   0.913  -5.114  -8.104
  359    HB3  ALA  50           HB3      ALA  50   1.747  -4.420  -9.493
  360    H    ARG  51           HN       ARG  51   0.964  -1.256  -7.636
  361    HA   ARG  51           HA       ARG  51   2.271   0.089  -9.731
  362    HB2  ARG  51           HB2      ARG  51   0.034   0.660  -8.827
  363    HB3  ARG  51           HB1      ARG  51   0.797   1.241  -7.360
  364    HG2  ARG  51           HG2      ARG  51   1.937   2.982  -8.655
  365    HG3  ARG  51           HG1      ARG  51   1.126   2.398 -10.117
  366    HD2  ARG  51           HD2      ARG  51  -1.044   2.818  -9.065
  367    HD3  ARG  51           HD1      ARG  51  -0.225   3.441  -7.636
  368    HE   ARG  51           HE       ARG  51   0.536   4.771 -10.040
  369   HH11  ARG  51          HH11      ARG  51  -2.015   4.649  -7.549
  370   HH12  ARG  51          HH12      ARG  51  -2.440   6.306  -7.793
  371   HH21  ARG  51          HH21      ARG  51  -0.195   7.084 -10.300
  372   HH22  ARG  51          HH22      ARG  51  -1.476   7.592  -9.297
  373    H    LEU  52           HN       LEU  52   2.618   0.303  -6.214
  374    HA   LEU  52           HA       LEU  52   4.795   2.113  -6.292
  375    HB2  LEU  52           HB2      LEU  52   3.860   0.290  -4.081
  376    HB3  LEU  52           HB1      LEU  52   5.078   1.541  -3.895
  377    HG   LEU  52           HG       LEU  52   2.181   1.997  -4.628
  378   HD11  LEU  52          HD11      LEU  52   2.006   3.026  -2.427
  379   HD12  LEU  52          HD12      LEU  52   3.676   2.572  -2.082
  380   HD13  LEU  52          HD13      LEU  52   2.451   1.326  -2.314
  381   HD21  LEU  52          HD21      LEU  52   2.693   4.375  -4.357
  382   HD22  LEU  52          HD22      LEU  52   3.642   3.659  -5.659
  383   HD23  LEU  52          HD23      LEU  52   4.395   3.983  -4.096
  384    H    GLU  53           HN       GLU  53   4.614  -1.411  -6.027
  385    HA   GLU  53           HA       GLU  53   7.282  -1.990  -5.587
  386    HB2  GLU  53           HB2      GLU  53   5.322  -3.544  -7.276
  387    HB3  GLU  53           HB1      GLU  53   6.884  -4.144  -6.769
  388    HG2  GLU  53           HG2      GLU  53   6.114  -3.960  -4.409
  389    HG3  GLU  53           HG1      GLU  53   4.540  -3.470  -5.025
  390    H    SER  54           HN       SER  54   5.575  -1.840  -8.676
  391    HA   SER  54           HA       SER  54   7.844  -2.266 -10.265
  392    HB2  SER  54           HB2      SER  54   5.543  -2.652 -11.068
  393    HB3  SER  54           HB1      SER  54   5.244  -0.915 -11.033
  394    HG   SER  54           HG       SER  54   5.767  -1.416 -13.092
  395    H    ARG  55           HN       ARG  55   6.404   0.715  -9.046
  396    HA   ARG  55           HA       ARG  55   7.847   2.473 -10.725
  397    HB2  ARG  55           HB2      ARG  55   5.825   3.187  -9.464
  398    HB3  ARG  55           HB1      ARG  55   6.729   3.053  -7.961
  399    HG2  ARG  55           HG2      ARG  55   8.329   4.754  -8.902
  400    HG3  ARG  55           HG1      ARG  55   7.185   4.988 -10.218
  401    HD2  ARG  55           HD2      ARG  55   6.528   5.355  -7.300
  402    HD3  ARG  55           HD1      ARG  55   7.030   6.653  -8.365
  403    HE   ARG  55           HE       ARG  55   4.795   5.440  -9.513
  404   HH11  ARG  55          HH11      ARG  55   5.485   7.030  -6.403
  405   HH12  ARG  55          HH12      ARG  55   4.061   7.928  -6.360
  406   HH21  ARG  55          HH21      ARG  55   2.818   6.706  -9.510
  407   HH22  ARG  55          HH22      ARG  55   2.470   7.787  -8.271
  408    H    TYR  56           HN       TYR  56   8.558   1.169  -7.491
  409    HA   TYR  56           HA       TYR  56  11.067   2.669  -7.553
  410    HB2  TYR  56           HB2      TYR  56   9.825   1.273  -5.165
  411    HB3  TYR  56           HB1      TYR  56  11.220   2.341  -5.157
  412    HD1  TYR  56           HD2      TYR  56  10.867   4.758  -6.046
  413    HD2  TYR  56           HD1      TYR  56   7.690   2.212  -4.822
  414    HE1  TYR  56           HE2      TYR  56   9.385   6.711  -5.837
  415    HE2  TYR  56           HE1      TYR  56   6.195   4.148  -4.625
  416    HH   TYR  56           HH       TYR  56   6.330   6.700  -4.333
  417    H    GLY  57           HN       GLY  57  10.050  -0.318  -8.390
  418    HA2  GLY  57           HA2      GLY  57  11.257  -2.124  -9.120
  419    HA3  GLY  57           HA1      GLY  57  12.725  -1.267  -8.682
  420    H    VAL  58           HN       VAL  58  10.026  -2.146  -6.604
  421    HA   VAL  58           HA       VAL  58  11.918  -3.716  -5.012
  422    HB   VAL  58           HB       VAL  58  10.551  -3.339  -3.012
  423   HG11  VAL  58          HG11      VAL  58  11.198  -0.769  -4.434
  424   HG12  VAL  58          HG12      VAL  58  12.311  -1.744  -3.473
  425   HG13  VAL  58          HG13      VAL  58  10.935  -0.944  -2.700
  426   HG21  VAL  58          HG21      VAL  58   8.798  -1.626  -4.778
  427   HG22  VAL  58          HG22      VAL  58   8.667  -1.756  -3.023
  428   HG23  VAL  58          HG23      VAL  58   8.344  -3.159  -4.036
  429    H    SER  59           HN       SER  59  10.554  -5.389  -3.516
  430    HA   SER  59           HA       SER  59   8.566  -6.717  -5.200
  431    HB2  SER  59           HB2      SER  59  10.997  -8.109  -4.043
  432    HB3  SER  59           HB1      SER  59   9.736  -8.843  -5.034
  433    HG   SER  59           HG       SER  59  10.510  -6.856  -6.426
  434    H    ILE  60           HN       ILE  60   6.855  -6.887  -3.897
  435    HA   ILE  60           HA       ILE  60   7.188  -7.447  -1.037
  436    HB   ILE  60           HB       ILE  60   4.774  -6.596  -2.674
  437   HG12  ILE  60          HG12      ILE  60   6.283  -5.105  -0.537
  438   HG13  ILE  60          HG11      ILE  60   6.496  -4.844  -2.272
  439   HG21  ILE  60          HG21      ILE  60   4.047  -8.034  -0.846
  440   HG22  ILE  60          HG22      ILE  60   3.568  -6.364  -0.536
  441   HG23  ILE  60          HG23      ILE  60   4.951  -7.054   0.309
  442   HD11  ILE  60          HD11      ILE  60   3.973  -4.392  -0.690
  443   HD12  ILE  60          HD12      ILE  60   4.157  -4.135  -2.428
  444   HD13  ILE  60          HD13      ILE  60   5.071  -3.148  -1.286
  445    HA   PRO  61           HA       PRO  61   6.174 -11.730  -1.992
  446    HB2  PRO  61           HB2      PRO  61   5.359 -11.787   0.858
  447    HB3  PRO  61           HB1      PRO  61   6.529 -12.807   0.004
  448    HG2  PRO  61           HG2      PRO  61   7.327 -10.930   1.724
  449    HG3  PRO  61           HG1      PRO  61   8.241 -11.268   0.244
  450    HD2  PRO  61           HD2      PRO  61   6.376  -9.011   0.847
  451    HD3  PRO  61           HD1      PRO  61   7.905  -9.008  -0.060
  452    H    ASP  62           HN       ASP  62   4.353 -12.567  -2.682
  453    HA   ASP  62           HA       ASP  62   2.044 -11.047  -2.959
  454    HB2  ASP  62           HB2      ASP  62   2.432 -13.997  -3.387
  455    HB3  ASP  62           HB1      ASP  62   0.927 -13.170  -3.757
  456    H    ASP  63           HN       ASP  63   2.367 -13.923  -0.886
  457    HA   ASP  63           HA       ASP  63  -0.298 -13.429   0.056
  458    HB2  ASP  63           HB2      ASP  63  -0.108 -15.341   1.559
  459    HB3  ASP  63           HB1      ASP  63   0.451 -15.767  -0.044
  460    H    VAL  64           HN       VAL  64   2.593 -12.109   0.846
  461    HA   VAL  64           HA       VAL  64   1.952 -11.639   3.568
  462    HB   VAL  64           HB       VAL  64   4.157 -10.398   1.876
  463   HG11  VAL  64          HG11      VAL  64   3.741 -10.196   4.867
  464   HG12  VAL  64          HG12      VAL  64   3.563  -8.875   3.712
  465   HG13  VAL  64          HG13      VAL  64   5.143  -9.608   3.976
  466   HG21  VAL  64          HG21      VAL  64   4.420 -12.775   2.274
  467   HG22  VAL  64          HG22      VAL  64   4.216 -12.523   4.010
  468   HG23  VAL  64          HG23      VAL  64   5.624 -11.857   3.179
  469    H    ALA  65           HN       ALA  65   1.305 -10.091   0.526
  470    HA   ALA  65           HA       ALA  65   0.653  -7.536   1.532
  471    HB1  ALA  65           HB1      ALA  65  -0.483  -7.119  -0.545
  472    HB2  ALA  65           HB2      ALA  65  -0.491  -8.830  -0.955
  473    HB3  ALA  65           HB3      ALA  65   1.035  -7.940  -0.871
  474    H    GLY  66           HN       GLY  66  -1.123 -10.510   1.476
  475    HA2  GLY  66           HA2      GLY  66  -3.556  -9.162   2.413
  476    HA3  GLY  66           HA1      GLY  66  -3.386 -10.890   2.110
  477    H    ARG  67           HN       ARG  67  -0.751 -10.083   3.692
  478    HA   ARG  67           HA       ARG  67  -1.682 -11.195   6.233
  479    HB2  ARG  67           HB2      ARG  67   0.144 -12.350   5.200
  480    HB3  ARG  67           HB1      ARG  67   0.982 -10.838   4.906
  481    HG2  ARG  67           HG2      ARG  67   1.435 -10.616   7.279
  482    HG3  ARG  67           HG1      ARG  67   0.575 -12.134   7.585
  483    HD2  ARG  67           HD2      ARG  67   2.153 -13.394   6.390
  484    HD3  ARG  67           HD1      ARG  67   2.840 -11.967   5.629
  485    HE   ARG  67           HE       ARG  67   3.117 -11.904   8.448
  486   HH11  ARG  67          HH11      ARG  67   4.439 -13.598   5.608
  487   HH12  ARG  67          HH12      ARG  67   6.048 -13.577   6.117
  488   HH21  ARG  67          HH21      ARG  67   5.401 -11.926   9.218
  489   HH22  ARG  67          HH22      ARG  67   6.591 -12.635   8.229
  490    H    VAL  68           HN       VAL  68  -0.528  -8.277   4.808
  491    HA   VAL  68           HA       VAL  68   0.191  -7.046   7.298
  492    HB   VAL  68           HB       VAL  68   0.329  -4.915   5.887
  493   HG11  VAL  68          HG11      VAL  68   2.303  -5.581   4.647
  494   HG12  VAL  68          HG12      VAL  68   1.879  -7.281   4.865
  495   HG13  VAL  68          HG13      VAL  68   2.299  -6.284   6.265
  496   HG21  VAL  68          HG21      VAL  68   0.230  -5.121   3.473
  497   HG22  VAL  68          HG22      VAL  68  -1.327  -5.559   4.186
  498   HG23  VAL  68          HG23      VAL  68  -0.232  -6.813   3.622
  499    H    ASP  69           HN       ASP  69  -1.032  -5.786   8.528
  500    HA   ASP  69           HA       ASP  69  -3.896  -5.986   7.979
  501    HB2  ASP  69           HB2      ASP  69  -2.409  -5.464  10.521
  502    HB3  ASP  69           HB1      ASP  69  -4.098  -4.997  10.395
  503    H    THR  70           HN       THR  70  -1.670  -3.362   8.820
  504    HA   THR  70           HA       THR  70  -3.795  -1.530   8.004
  505    HB   THR  70           HB       THR  70  -2.455   0.198   9.235
  506    HG1  THR  70           HG1      THR  70  -0.958  -1.051  10.837
  507   HG21  THR  70          HG21      THR  70  -4.340  -0.914  10.344
  508   HG22  THR  70          HG22      THR  70  -3.047  -0.581  11.496
  509   HG23  THR  70          HG23      THR  70  -3.275  -2.216  10.873
  510    HA   PRO  71           HA       PRO  71  -1.461  -0.236   4.385
  511    HB2  PRO  71           HB2      PRO  71  -2.190   2.490   5.365
  512    HB3  PRO  71           HB1      PRO  71  -2.343   1.804   3.740
  513    HG2  PRO  71           HG2      PRO  71  -4.478   2.047   5.270
  514    HG3  PRO  71           HG1      PRO  71  -4.237   0.585   4.293
  515    HD2  PRO  71           HD2      PRO  71  -3.871   0.977   7.225
  516    HD3  PRO  71           HD1      PRO  71  -4.481  -0.430   6.338
  517    H    ARG  72           HN       ARG  72  -1.086   1.481   7.481
  518    HA   ARG  72           HA       ARG  72   1.439   2.588   7.100
  519    HB2  ARG  72           HB2      ARG  72   0.164   3.112   9.093
  520    HB3  ARG  72           HB1      ARG  72   0.240   1.446   9.642
  521    HG2  ARG  72           HG2      ARG  72   2.673   1.652   9.920
  522    HG3  ARG  72           HG1      ARG  72   2.590   3.328   9.373
  523    HD2  ARG  72           HD2      ARG  72   1.138   2.240  11.778
  524    HD3  ARG  72           HD1      ARG  72   2.706   3.033  11.848
  525    HE   ARG  72           HE       ARG  72   1.548   5.002  10.857
  526   HH11  ARG  72          HH11      ARG  72  -0.372   2.630  12.682
  527   HH12  ARG  72          HH12      ARG  72  -1.395   3.803  13.391
  528   HH21  ARG  72          HH21      ARG  72   0.101   6.601  11.839
  529   HH22  ARG  72          HH22      ARG  72  -1.157   6.108  12.850
  530    H    GLU  73           HN       GLU  73   0.593  -0.666   8.182
  531    HA   GLU  73           HA       GLU  73   3.232  -1.572   8.566
  532    HB2  GLU  73           HB2      GLU  73   1.285  -2.609   9.618
  533    HB3  GLU  73           HB1      GLU  73   0.671  -3.087   8.050
  534    HG2  GLU  73           HG2      GLU  73   2.437  -4.650   7.759
  535    HG3  GLU  73           HG1      GLU  73   3.271  -4.055   9.197
  536    H    LEU  74           HN       LEU  74   1.043  -1.671   5.837
  537    HA   LEU  74           HA       LEU  74   2.727  -3.179   4.115
  538    HB2  LEU  74           HB2      LEU  74   0.259  -2.894   3.851
  539    HB3  LEU  74           HB1      LEU  74   0.500  -1.220   3.426
  540    HG   LEU  74           HG       LEU  74  -0.082  -2.804   1.553
  541   HD11  LEU  74          HD11      LEU  74   0.905  -0.642   1.049
  542   HD12  LEU  74          HD12      LEU  74   1.514  -1.865  -0.068
  543   HD13  LEU  74          HD13      LEU  74   2.524  -1.306   1.267
  544   HD21  LEU  74          HD21      LEU  74   1.720  -4.186   0.606
  545   HD22  LEU  74          HD22      LEU  74   1.243  -4.712   2.217
  546   HD23  LEU  74          HD23      LEU  74   2.733  -3.794   1.997
  547    H    LEU  75           HN       LEU  75   2.273   0.304   4.585
  548    HA   LEU  75           HA       LEU  75   4.113   1.334   2.755
  549    HB2  LEU  75           HB2      LEU  75   2.566   2.742   3.990
  550    HB3  LEU  75           HB1      LEU  75   3.339   2.323   5.501
  551    HG   LEU  75           HG       LEU  75   5.388   3.502   4.733
  552   HD11  LEU  75          HD11      LEU  75   5.264   5.001   2.826
  553   HD12  LEU  75          HD12      LEU  75   3.662   4.379   2.428
  554   HD13  LEU  75          HD13      LEU  75   5.069   3.318   2.338
  555   HD21  LEU  75          HD21      LEU  75   4.490   5.769   5.019
  556   HD22  LEU  75          HD22      LEU  75   3.801   4.628   6.170
  557   HD23  LEU  75          HD23      LEU  75   2.858   5.143   4.771
  558    H    ASP  76           HN       ASP  76   4.523   0.336   6.093
  559    HA   ASP  76           HA       ASP  76   7.194   0.906   6.566
  560    HB2  ASP  76           HB2      ASP  76   5.558   0.100   8.259
  561    HB3  ASP  76           HB1      ASP  76   5.637  -1.504   7.551
  562    H    LEU  77           HN       LEU  77   5.730  -1.940   5.131
  563    HA   LEU  77           HA       LEU  77   8.054  -3.495   4.801
  564    HB2  LEU  77           HB2      LEU  77   5.682  -4.316   4.717
  565    HB3  LEU  77           HB1      LEU  77   5.500  -3.537   3.167
  566    HG   LEU  77           HG       LEU  77   7.416  -5.841   3.666
  567   HD11  LEU  77          HD11      LEU  77   5.733  -7.244   2.604
  568   HD12  LEU  77          HD12      LEU  77   4.618  -5.876   2.564
  569   HD13  LEU  77          HD13      LEU  77   5.142  -6.541   4.109
  570   HD21  LEU  77          HD21      LEU  77   7.941  -4.495   1.684
  571   HD22  LEU  77          HD22      LEU  77   6.286  -4.713   1.109
  572   HD23  LEU  77          HD23      LEU  77   7.358  -6.103   1.249
  573    H    ILE  78           HN       ILE  78   6.428  -1.168   2.680
  574    HA   ILE  78           HA       ILE  78   8.181  -1.664   0.492
  575    HB   ILE  78           HB       ILE  78   6.306   0.687   0.941
  576   HG12  ILE  78          HG12      ILE  78   6.059  -1.871  -0.649
  577   HG13  ILE  78          HG11      ILE  78   5.110  -1.399   0.752
  578   HG21  ILE  78          HG21      ILE  78   8.116   1.305  -0.604
  579   HG22  ILE  78          HG22      ILE  78   6.586   1.153  -1.462
  580   HG23  ILE  78          HG23      ILE  78   7.790  -0.134  -1.571
  581   HD11  ILE  78          HD11      ILE  78   5.043  -0.119  -1.973
  582   HD12  ILE  78          HD12      ILE  78   4.089   0.406  -0.579
  583   HD13  ILE  78          HD13      ILE  78   3.833  -1.194  -1.286
  584    H    ASN  79           HN       ASN  79   8.011   0.807   2.991
  585    HA   ASN  79           HA       ASN  79  10.222   2.276   2.067
  586    HB2  ASN  79           HB2      ASN  79   8.883   2.103   4.747
  587    HB3  ASN  79           HB1      ASN  79  10.381   3.006   4.568
  588   HD21  ASN  79          HD21      ASN  79   7.775   4.052   5.267
  589   HD22  ASN  79          HD22      ASN  79   7.351   5.165   4.012
  590    H    GLY  80           HN       GLY  80  10.043  -0.563   4.087
  591    HA2  GLY  80           HA2      GLY  80  12.796  -0.605   4.802
  592    HA3  GLY  80           HA1      GLY  80  11.705  -1.990   4.798
  593    H    ALA  81           HN       ALA  81  10.943  -1.785   2.083
  594    HA   ALA  81           HA       ALA  81  13.055  -3.266   0.878
  595    HB1  ALA  81           HB1      ALA  81  10.696  -3.818   0.505
  596    HB2  ALA  81           HB2      ALA  81  11.529  -3.489  -1.012
  597    HB3  ALA  81           HB3      ALA  81  10.462  -2.272  -0.311
  598    H    LEU  82           HN       LEU  82  11.884   0.011   0.690
  599    HA   LEU  82           HA       LEU  82  13.111   0.828  -1.680
  600    HB2  LEU  82           HB2      LEU  82  12.537   2.434   0.804
  601    HB3  LEU  82           HB1      LEU  82  13.013   3.126  -0.731
  602    HG   LEU  82           HG       LEU  82  10.457   1.649  -0.128
  603   HD11  LEU  82          HD11      LEU  82  11.001   4.512  -0.841
  604   HD12  LEU  82          HD12      LEU  82  10.523   3.898   0.741
  605   HD13  LEU  82          HD13      LEU  82   9.409   3.787  -0.621
  606   HD21  LEU  82          HD21      LEU  82   9.800   2.190  -2.420
  607   HD22  LEU  82          HD22      LEU  82  11.205   1.125  -2.381
  608   HD23  LEU  82          HD23      LEU  82  11.410   2.841  -2.726
  609    H    ALA  83           HN       ALA  83  14.312   0.725   1.608
  610    HA   ALA  83           HA       ALA  83  16.819   1.929   1.108
  611    HB1  ALA  83           HB1      ALA  83  16.092  -0.055   3.265
  612    HB2  ALA  83           HB2      ALA  83  15.867   1.693   3.358
  613    HB3  ALA  83           HB3      ALA  83  17.494   1.017   3.263
  614    H    GLU  84           HN       GLU  84  15.654  -1.001   0.035
  615    HA   GLU  84           HA       GLU  84  18.331  -2.185  -0.122
  616    HB2  GLU  84           HB2      GLU  84  16.629  -3.471   1.123
  617    HB3  GLU  84           HB1      GLU  84  15.633  -3.516  -0.321
  618    HG2  GLU  84           HG2      GLU  84  16.826  -5.607   0.028
  619    HG3  GLU  84           HG1      GLU  84  17.329  -4.817  -1.468
  620    H    ALA  85           HN       ALA  85  15.293  -1.846  -1.966
  621    HA   ALA  85           HA       ALA  85  16.751  -2.624  -4.368
  622    HB1  ALA  85           HB1      ALA  85  14.811  -3.931  -3.724
  623    HB2  ALA  85           HB2      ALA  85  14.631  -3.186  -5.312
  624    HB3  ALA  85           HB3      ALA  85  13.794  -2.504  -3.915
  625    H    ALA  86           HN       ALA  86  15.365   0.255  -3.033
  626    HA   ALA  86           HA       ALA  86  15.049   1.375  -5.704
  627    HB1  ALA  86           HB1      ALA  86  14.304   2.565  -3.024
  628    HB2  ALA  86           HB2      ALA  86  13.198   1.746  -4.125
  629    HB3  ALA  86           HB3      ALA  86  13.951   3.267  -4.603
  630   H281  PSR  87          H28A      PSR  87  -7.523 -10.520  -6.653
  631   H282  PSR  87          H28B      PSR  87  -6.580  -9.859  -5.320
  632   H301  PSR  87          H30A      PSR  87  -4.648  -9.874  -6.715
  633   H302  PSR  87          H30B      PSR  87  -5.599 -10.558  -8.038
  634   H303  PSR  87          H30C      PSR  87  -4.099 -11.340  -7.526
  635   H311  PSR  87          H31A      PSR  87  -4.477 -10.950  -4.599
  636   H312  PSR  87          H31B      PSR  87  -3.954 -12.461  -5.343
  637   H313  PSR  87          H31C      PSR  87  -5.351 -12.444  -4.261
  638   H321  PSR  87          H32A      PSR  87  -5.320 -13.515  -7.246
  639   H331  PSR  87          H33A      PSR  87  -7.464 -13.490  -8.236
  640   H361  PSR  87          H36A      PSR  87  -5.611 -13.990  -4.699
  641   H371  PSR  87          H37A      PSR  87  -8.186 -14.914  -3.749
  642   H372  PSR  87          H37B      PSR  87  -7.094 -16.184  -4.260
  643   H381  PSR  87          H38A      PSR  87  -6.716 -15.992  -1.996
  644   H382  PSR  87          H38B      PSR  87  -5.315 -15.181  -2.753
  645   H411  PSR  87          H41A      PSR  87  -4.808 -14.022  -1.058
  646   H421  PSR  87          H42A      PSR  87  -6.679 -12.340   0.425
  647   H422  PSR  87          H42B      PSR  87  -4.991 -12.659   0.788
  648   H431  PSR  87          H43A      PSR  87  -5.191 -10.354   0.150
  649   H432  PSR  87          H43B      PSR  87  -6.064 -10.835  -1.310
  650   HC21  PSR  87          H2A       PSR  87  -2.511  -8.202  -3.117
  651   HC22  PSR  87          H2B       PSR  87  -3.207  -9.536  -4.003
  652   HC31  PSR  87          H3A       PSR  87  -1.583 -11.076  -3.059
  653   HC32  PSR  87          H3B       PSR  87  -0.882  -9.754  -2.105
  654   HC41  PSR  87          H4C       PSR  87  -1.032  -9.907  -5.114
  655   HC42  PSR  87          H4A       PSR  87   0.407 -10.186  -4.137
  656   HC43  PSR  87          H4B       PSR  87  -0.329  -8.581  -4.184
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  19.492   5.963   4.603
    2    H2   MET   1           HT2      MET   1  20.711   7.047   5.070
    3    H3   MET   1           HT3      MET   1  20.897   6.049   3.705
    4    HA   MET   1           HA       MET   1  18.889   8.180   3.969
    5    HB2  MET   1           HB2      MET   1  21.394   7.982   2.275
    6    HB3  MET   1           HB1      MET   1  20.166   9.225   2.094
    7    HG2  MET   1           HG2      MET   1  21.828   8.762   4.556
    8    HG3  MET   1           HG1      MET   1  22.128   9.997   3.335
    9    HE1  MET   1           HE1      MET   1  19.268  11.041   2.582
   10    HE2  MET   1           HE2      MET   1  20.623  12.110   2.948
   11    HE3  MET   1           HE3      MET   1  19.063  12.366   3.729
   12    H    ALA   2           HN       ALA   2  17.090   7.201   3.167
   13    HA   ALA   2           HA       ALA   2  17.316   6.172   0.454
   14    HB1  ALA   2           HB1      ALA   2  15.779   4.839   2.684
   15    HB2  ALA   2           HB2      ALA   2  17.260   4.228   1.944
   16    HB3  ALA   2           HB3      ALA   2  15.780   4.348   0.989
   17    H    THR   3           HN       THR   3  15.691   6.792  -0.829
   18    HA   THR   3           HA       THR   3  13.876   8.771   0.068
   19    HB   THR   3           HB       THR   3  14.836   8.871  -2.178
   20    HG1  THR   3           HG1      THR   3  12.683   9.602  -1.786
   21   HG21  THR   3          HG21      THR   3  13.383   6.292  -2.770
   22   HG22  THR   3          HG22      THR   3  15.130   6.505  -2.652
   23   HG23  THR   3          HG23      THR   3  14.235   7.279  -3.958
   24    H    LEU   4           HN       LEU   4  12.232   8.236   1.287
   25    HA   LEU   4           HA       LEU   4  11.006   5.595   0.972
   26    HB2  LEU   4           HB2      LEU   4  11.016   7.427   3.360
   27    HB3  LEU   4           HB1      LEU   4  10.239   5.859   3.279
   28    HG   LEU   4           HG       LEU   4  13.210   6.378   3.143
   29   HD11  LEU   4          HD11      LEU   4  13.253   5.259   5.311
   30   HD12  LEU   4          HD12      LEU   4  11.491   5.155   5.285
   31   HD13  LEU   4          HD13      LEU   4  12.280   6.730   5.351
   32   HD21  LEU   4          HD21      LEU   4  12.577   4.443   1.787
   33   HD22  LEU   4          HD22      LEU   4  11.687   3.768   3.152
   34   HD23  LEU   4          HD23      LEU   4  13.441   3.940   3.240
   35    H    LEU   5           HN       LEU   5   8.777   5.445   1.380
   36    HA   LEU   5           HA       LEU   5   7.307   7.700   0.291
   37    HB2  LEU   5           HB2      LEU   5   6.506   4.833   0.775
   38    HB3  LEU   5           HB1      LEU   5   5.478   6.060   0.067
   39    HG   LEU   5           HG       LEU   5   8.023   4.990  -1.147
   40   HD11  LEU   5          HD11      LEU   5   5.134   4.591  -1.883
   41   HD12  LEU   5          HD12      LEU   5   6.199   3.379  -1.166
   42   HD13  LEU   5          HD13      LEU   5   6.522   3.989  -2.792
   43   HD21  LEU   5          HD21      LEU   5   7.338   6.281  -3.115
   44   HD22  LEU   5          HD22      LEU   5   7.641   7.318  -1.715
   45   HD23  LEU   5          HD23      LEU   5   5.983   6.936  -2.188
   46    H    THR   6           HN       THR   6   6.111   8.886   1.564
   47    HA   THR   6           HA       THR   6   5.757   7.961   4.278
   48    HB   THR   6           HB       THR   6   5.353  10.347   4.845
   49    HG1  THR   6           HG1      THR   6   5.746  10.689   2.035
   50   HG21  THR   6          HG21      THR   6   7.600   9.413   5.090
   51   HG22  THR   6          HG22      THR   6   7.679  11.105   4.594
   52   HG23  THR   6          HG23      THR   6   7.963   9.826   3.414
   53    H    THR   7           HN       THR   7   3.637   9.567   5.051
   54    HA   THR   7           HA       THR   7   1.469   8.024   4.427
   55    HB   THR   7           HB       THR   7   1.489  10.891   5.344
   56    HG1  THR   7           HG1      THR   7   2.168  10.128   7.251
   57   HG21  THR   7          HG21      THR   7  -0.398   8.583   5.918
   58   HG22  THR   7          HG22      THR   7  -0.753   9.948   4.860
   59   HG23  THR   7          HG23      THR   7  -0.529  10.208   6.591
   60    H    ASP   8           HN       ASP   8   2.145  11.365   3.162
   61    HA   ASP   8           HA       ASP   8  -0.141  11.331   1.497
   62    HB2  ASP   8           HB2      ASP   8   0.548  13.412   0.526
   63    HB3  ASP   8           HB1      ASP   8   0.942  13.463   2.233
   64    H    ASP   9           HN       ASP   9   2.997  10.085   0.963
   65    HA   ASP   9           HA       ASP   9   2.940   9.878  -1.883
   66    HB2  ASP   9           HB2      ASP   9   4.287   8.095   0.150
   67    HB3  ASP   9           HB1      ASP   9   4.535   7.985  -1.581
   68    H    LEU  10           HN       LEU  10   2.276   7.596   0.683
   69    HA   LEU  10           HA       LEU  10   1.284   5.497  -0.920
   70    HB2  LEU  10           HB2      LEU  10   2.172   5.125   1.271
   71    HB3  LEU  10           HB1      LEU  10   0.973   6.168   1.997
   72    HG   LEU  10           HG       LEU  10  -0.766   4.491   1.271
   73   HD11  LEU  10          HD11      LEU  10  -0.022   2.222   0.746
   74   HD12  LEU  10          HD12      LEU  10   1.648   2.788   0.693
   75   HD13  LEU  10          HD13      LEU  10   0.479   3.383  -0.485
   76   HD21  LEU  10          HD21      LEU  10   0.034   4.613   3.554
   77   HD22  LEU  10          HD22      LEU  10   1.385   3.555   3.156
   78   HD23  LEU  10          HD23      LEU  10  -0.268   2.936   3.096
   79    H    ARG  11           HN       ARG  11  -0.128   8.258   0.566
   80    HA   ARG  11           HA       ARG  11  -2.810   7.689   0.627
   81    HB2  ARG  11           HB2      ARG  11  -1.576   9.715   1.494
   82    HB3  ARG  11           HB1      ARG  11  -1.655  10.360  -0.137
   83    HG2  ARG  11           HG2      ARG  11  -4.101  10.294  -0.024
   84    HG3  ARG  11           HG1      ARG  11  -3.959   9.643   1.621
   85    HD2  ARG  11           HD2      ARG  11  -4.390  12.036   1.679
   86    HD3  ARG  11           HD1      ARG  11  -2.802  11.651   2.340
   87    HE   ARG  11           HE       ARG  11  -2.802  12.319  -0.442
   88   HH11  ARG  11          HH11      ARG  11  -2.583  13.626   2.846
   89   HH12  ARG  11          HH12      ARG  11  -1.841  15.085   2.356
   90   HH21  ARG  11          HH21      ARG  11  -1.729  14.300  -1.083
   91   HH22  ARG  11          HH22      ARG  11  -1.330  15.467   0.104
   92    H    ARG  12           HN       ARG  12  -1.263   9.571  -2.017
   93    HA   ARG  12           HA       ARG  12  -3.473   9.247  -3.732
   94    HB2  ARG  12           HB2      ARG  12  -2.082  10.078  -5.568
   95    HB3  ARG  12           HB1      ARG  12  -1.982  11.090  -4.141
   96    HG2  ARG  12           HG2      ARG  12   0.201  10.225  -3.631
   97    HG3  ARG  12           HG1      ARG  12   0.078   9.050  -4.946
   98    HD2  ARG  12           HD2      ARG  12  -0.061  12.031  -5.330
   99    HD3  ARG  12           HD1      ARG  12   1.419  11.091  -5.486
  100    HE   ARG  12           HE       ARG  12   0.241   9.843  -7.277
  101   HH11  ARG  12          HH11      ARG  12  -1.054  13.002  -6.456
  102   HH12  ARG  12          HH12      ARG  12  -1.340  13.527  -8.038
  103   HH21  ARG  12          HH21      ARG  12  -0.155  10.484  -9.519
  104   HH22  ARG  12          HH22      ARG  12  -0.794  12.012  -9.882
  105    H    ALA  13           HN       ALA  13  -0.791   7.209  -3.129
  106    HA   ALA  13           HA       ALA  13  -0.957   5.640  -5.474
  107    HB1  ALA  13           HB1      ALA  13   0.051   4.880  -2.738
  108    HB2  ALA  13           HB2      ALA  13   1.004   5.631  -4.022
  109    HB3  ALA  13           HB3      ALA  13   0.356   4.005  -4.239
  110    H    LEU  14           HN       LEU  14  -2.321   5.234  -2.204
  111    HA   LEU  14           HA       LEU  14  -3.739   2.883  -2.803
  112    HB2  LEU  14           HB2      LEU  14  -3.147   3.762  -0.527
  113    HB3  LEU  14           HB1      LEU  14  -4.385   4.980  -0.740
  114    HG   LEU  14           HG       LEU  14  -6.092   3.190  -0.882
  115   HD11  LEU  14          HD11      LEU  14  -4.646   1.390  -1.687
  116   HD12  LEU  14          HD12      LEU  14  -5.491   0.930  -0.209
  117   HD13  LEU  14          HD13      LEU  14  -3.789   1.393  -0.146
  118   HD21  LEU  14          HD21      LEU  14  -6.017   2.600   1.468
  119   HD22  LEU  14          HD22      LEU  14  -5.603   4.298   1.189
  120   HD23  LEU  14          HD23      LEU  14  -4.331   3.127   1.528
  121    H    VAL  15           HN       VAL  15  -4.593   6.312  -2.813
  122    HA   VAL  15           HA       VAL  15  -7.218   5.904  -3.689
  123    HB   VAL  15           HB       VAL  15  -5.436   8.364  -3.746
  124   HG11  VAL  15          HG11      VAL  15  -7.358   9.714  -4.445
  125   HG12  VAL  15          HG12      VAL  15  -8.322   8.254  -4.660
  126   HG13  VAL  15          HG13      VAL  15  -6.942   8.559  -5.713
  127   HG21  VAL  15          HG21      VAL  15  -6.294   7.637  -1.626
  128   HG22  VAL  15          HG22      VAL  15  -7.936   7.638  -2.274
  129   HG23  VAL  15          HG23      VAL  15  -7.051   9.158  -2.112
  130    H    GLU  16           HN       GLU  16  -4.332   5.510  -5.423
  131    HA   GLU  16           HA       GLU  16  -5.351   6.158  -8.014
  132    HB2  GLU  16           HB2      GLU  16  -2.917   6.258  -7.357
  133    HB3  GLU  16           HB1      GLU  16  -2.905   4.500  -7.414
  134    HG2  GLU  16           HG2      GLU  16  -3.466   4.537  -9.754
  135    HG3  GLU  16           HG1      GLU  16  -3.616   6.292  -9.717
  136    H    SER  17           HN       SER  17  -4.755   3.084  -6.257
  137    HA   SER  17           HA       SER  17  -5.696   1.487  -8.413
  138    HB2  SER  17           HB2      SER  17  -5.593  -0.397  -6.569
  139    HB3  SER  17           HB1      SER  17  -4.136   0.501  -6.917
  140    HG   SER  17           HG       SER  17  -5.900   1.078  -4.768
  141    H    ALA  18           HN       ALA  18  -7.280   3.557  -6.555
  142    HA   ALA  18           HA       ALA  18  -9.819   2.105  -6.603
  143    HB1  ALA  18           HB1      ALA  18  -9.149   2.759  -4.334
  144    HB2  ALA  18           HB2      ALA  18 -10.581   3.650  -4.853
  145    HB3  ALA  18           HB3      ALA  18  -9.002   4.437  -4.859
  146    H    GLY  19           HN       GLY  19  -8.059   4.104  -8.411
  147    HA2  GLY  19           HA2      GLY  19  -9.759   6.316  -8.935
  148    HA3  GLY  19           HA1      GLY  19  -8.507   5.700 -10.008
  149    H    GLU  20           HN       GLU  20  -9.931   3.071  -9.685
  150    HA   GLU  20           HA       GLU  20 -11.564   3.133 -12.004
  151    HB2  GLU  20           HB2      GLU  20 -11.843   0.714 -11.563
  152    HB3  GLU  20           HB1      GLU  20 -10.171   1.277 -11.410
  153    HG2  GLU  20           HG2      GLU  20 -10.190   1.162  -9.081
  154    HG3  GLU  20           HG1      GLU  20 -11.934   0.903  -9.032
  155    H    THR  21           HN       THR  21 -12.073   3.738  -8.895
  156    HA   THR  21           HA       THR  21 -14.996   3.686  -9.151
  157    HB   THR  21           HB       THR  21 -15.064   3.466  -6.616
  158    HG1  THR  21           HG1      THR  21 -12.402   3.756  -6.866
  159   HG21  THR  21          HG21      THR  21 -14.598   1.062  -6.547
  160   HG22  THR  21          HG22      THR  21 -13.722   1.192  -8.074
  161   HG23  THR  21          HG23      THR  21 -15.454   1.514  -8.023
  162    H    ASP  22           HN       ASP  22 -14.430   5.305  -6.431
  163    HA   ASP  22           HA       ASP  22 -14.244   7.796  -7.975
  164    HB2  ASP  22           HB2      ASP  22 -14.957   7.436  -5.049
  165    HB3  ASP  22           HB1      ASP  22 -14.829   8.993  -5.855
  166    H    GLY  23           HN       GLY  23 -12.699   6.049  -5.398
  167    HA2  GLY  23           HA2      GLY  23 -10.359   5.980  -5.116
  168    HA3  GLY  23           HA1      GLY  23 -10.229   7.513  -5.975
  169    H    THR  24           HN       THR  24 -12.109   8.968  -4.714
  170    HA   THR  24           HA       THR  24 -10.742   9.738  -2.346
  171    HB   THR  24           HB       THR  24 -12.461  11.584  -2.416
  172    HG1  THR  24           HG1      THR  24 -14.138  10.962  -3.487
  173   HG21  THR  24          HG21      THR  24 -10.255  11.813  -3.484
  174   HG22  THR  24          HG22      THR  24 -11.499  12.636  -4.424
  175   HG23  THR  24          HG23      THR  24 -10.888  11.069  -4.952
  176    H    ASP  25           HN       ASP  25 -11.793   7.277  -1.979
  177    HA   ASP  25           HA       ASP  25 -14.298   7.428  -0.507
  178    HB2  ASP  25           HB2      ASP  25 -13.614   5.433  -1.878
  179    HB3  ASP  25           HB1      ASP  25 -12.321   5.143  -0.720
  180    H    LEU  26           HN       LEU  26 -10.911   7.167  -0.021
  181    HA   LEU  26           HA       LEU  26 -11.250   7.449   2.863
  182    HB2  LEU  26           HB2      LEU  26  -8.896   6.459   2.979
  183    HB3  LEU  26           HB1      LEU  26 -10.208   5.385   2.552
  184    HG   LEU  26           HG       LEU  26  -9.399   6.027   0.095
  185   HD11  LEU  26          HD11      LEU  26  -6.876   6.229   1.704
  186   HD12  LEU  26          HD12      LEU  26  -7.626   7.521   0.776
  187   HD13  LEU  26          HD13      LEU  26  -6.975   6.105  -0.051
  188   HD21  LEU  26          HD21      LEU  26  -8.121   3.941   0.092
  189   HD22  LEU  26          HD22      LEU  26  -9.650   3.785   0.953
  190   HD23  LEU  26          HD23      LEU  26  -8.142   3.938   1.854
  191    H    SER  27           HN       SER  27  -9.176   8.461   0.186
  192    HA   SER  27           HA       SER  27  -8.318  10.492  -0.416
  193    HB2  SER  27           HB2      SER  27 -10.223  11.524   1.588
  194    HB3  SER  27           HB1      SER  27  -9.469  12.475   0.304
  195    HG   SER  27           HG       SER  27 -11.596  11.746  -0.199
  196    H    GLY  28           HN       GLY  28  -7.185   9.138   2.041
  197    HA2  GLY  28           HA2      GLY  28  -5.056  10.164   2.900
  198    HA3  GLY  28           HA1      GLY  28  -6.035  11.575   3.262
  199    H    ASP  29           HN       ASP  29  -8.219   9.611   4.085
  200    HA   ASP  29           HA       ASP  29  -7.187   9.090   6.785
  201    HB2  ASP  29           HB2      ASP  29  -9.246  10.483   6.511
  202    HB3  ASP  29           HB1      ASP  29 -10.026   9.125   5.720
  203    H    PHE  30           HN       PHE  30  -6.128   7.152   6.469
  204    HA   PHE  30           HA       PHE  30  -7.719   4.789   5.902
  205    HB2  PHE  30           HB2      PHE  30  -6.668   4.152   3.757
  206    HB3  PHE  30           HB1      PHE  30  -7.254   5.776   3.669
  207    HD1  PHE  30           HD2      PHE  30  -5.831   7.703   3.476
  208    HD2  PHE  30           HD1      PHE  30  -4.173   3.813   3.853
  209    HE1  PHE  30           HE2      PHE  30  -3.661   8.563   2.739
  210    HE2  PHE  30           HE1      PHE  30  -2.002   4.670   3.110
  211    HZ   PHE  30           HZ       PHE  30  -1.702   7.077   2.711
  212    H    LEU  31           HN       LEU  31  -4.652   6.319   6.624
  213    HA   LEU  31           HA       LEU  31  -2.808   4.320   6.421
  214    HB2  LEU  31           HB2      LEU  31  -2.331   6.686   6.686
  215    HB3  LEU  31           HB1      LEU  31  -2.834   6.612   8.363
  216    HG   LEU  31           HG       LEU  31  -0.984   4.978   8.744
  217   HD11  LEU  31          HD11      LEU  31   0.853   4.933   7.105
  218   HD12  LEU  31          HD12      LEU  31  -0.141   5.871   5.988
  219   HD13  LEU  31          HD13      LEU  31  -0.639   4.247   6.460
  220   HD21  LEU  31          HD21      LEU  31  -0.781   7.309   9.404
  221   HD22  LEU  31          HD22      LEU  31  -0.228   7.740   7.787
  222   HD23  LEU  31          HD23      LEU  31   0.767   6.706   8.812
  223    H    ASP  32           HN       ASP  32  -4.805   5.049   9.249
  224    HA   ASP  32           HA       ASP  32  -3.395   2.909  10.650
  225    HB2  ASP  32           HB2      ASP  32  -3.573   5.222  11.652
  226    HB3  ASP  32           HB1      ASP  32  -5.295   4.920  11.850
  227    H    LEU  33           HN       LEU  33  -6.064   3.188   8.784
  228    HA   LEU  33           HA       LEU  33  -7.818   1.553  10.432
  229    HB2  LEU  33           HB2      LEU  33  -8.223   2.622   7.624
  230    HB3  LEU  33           HB1      LEU  33  -9.382   1.643   8.480
  231    HG   LEU  33           HG       LEU  33 -10.195   3.810   8.581
  232   HD11  LEU  33          HD11      LEU  33  -8.833   3.316  11.199
  233   HD12  LEU  33          HD12      LEU  33 -10.406   2.710  10.684
  234   HD13  LEU  33          HD13      LEU  33 -10.165   4.441  10.931
  235   HD21  LEU  33          HD21      LEU  33  -7.472   4.760   9.443
  236   HD22  LEU  33          HD22      LEU  33  -8.917   5.765   9.322
  237   HD23  LEU  33          HD23      LEU  33  -8.229   5.030   7.875
  238    H    ARG  34           HN       ARG  34  -8.550  -0.492   9.699
  239    HA   ARG  34           HA       ARG  34  -6.440  -1.994   8.408
  240    HB2  ARG  34           HB2      ARG  34  -8.090  -2.736  10.363
  241    HB3  ARG  34           HB1      ARG  34  -9.181  -3.120   9.043
  242    HG2  ARG  34           HG2      ARG  34  -6.398  -4.254   9.221
  243    HG3  ARG  34           HG1      ARG  34  -7.780  -5.014   9.994
  244    HD2  ARG  34           HD2      ARG  34  -8.680  -5.695   7.995
  245    HD3  ARG  34           HD1      ARG  34  -7.967  -4.346   7.101
  246    HE   ARG  34           HE       ARG  34  -5.885  -5.456   7.158
  247   HH11  ARG  34          HH11      ARG  34  -8.552  -7.593   8.206
  248   HH12  ARG  34          HH12      ARG  34  -7.759  -9.021   7.720
  249   HH21  ARG  34          HH21      ARG  34  -4.809  -7.440   6.499
  250   HH22  ARG  34          HH22      ARG  34  -5.583  -8.929   6.739
  251    H    PHE  35           HN       PHE  35  -6.594  -2.895   6.280
  252    HA   PHE  35           HA       PHE  35  -7.777  -1.419   4.293
  253    HB2  PHE  35           HB2      PHE  35  -7.106  -4.358   4.222
  254    HB3  PHE  35           HB1      PHE  35  -7.604  -3.450   2.803
  255    HD1  PHE  35           HD2      PHE  35  -6.182  -1.543   2.032
  256    HD2  PHE  35           HD1      PHE  35  -4.908  -4.313   4.990
  257    HE1  PHE  35           HE2      PHE  35  -3.848  -0.889   1.628
  258    HE2  PHE  35           HE1      PHE  35  -2.580  -3.672   4.598
  259    HZ   PHE  35           HZ       PHE  35  -2.039  -1.958   2.911
  260    H    GLU  36           HN       GLU  36  -9.229  -4.261   5.823
  261    HA   GLU  36           HA       GLU  36 -11.569  -4.545   4.370
  262    HB2  GLU  36           HB2      GLU  36 -11.131  -4.917   7.330
  263    HB3  GLU  36           HB1      GLU  36 -12.521  -5.513   6.442
  264    HG2  GLU  36           HG2      GLU  36  -9.676  -6.304   5.897
  265    HG3  GLU  36           HG1      GLU  36 -10.804  -7.219   6.896
  266    H    ASP  37           HN       ASP  37 -10.731  -2.083   6.700
  267    HA   ASP  37           HA       ASP  37 -13.462  -1.273   7.221
  268    HB2  ASP  37           HB2      ASP  37 -11.589  -1.221   8.926
  269    HB3  ASP  37           HB1      ASP  37 -10.885   0.102   8.011
  270    H    ILE  38           HN       ILE  38 -10.817  -0.470   5.158
  271    HA   ILE  38           HA       ILE  38 -12.172   1.972   4.280
  272    HB   ILE  38           HB       ILE  38 -10.113   2.517   2.991
  273   HG12  ILE  38          HG12      ILE  38  -8.934   0.069   4.343
  274   HG13  ILE  38          HG11      ILE  38  -9.348   0.177   2.644
  275   HG21  ILE  38          HG21      ILE  38  -9.650   1.967   5.917
  276   HG22  ILE  38          HG22      ILE  38 -10.384   3.413   5.224
  277   HG23  ILE  38          HG23      ILE  38  -8.684   3.051   4.916
  278   HD11  ILE  38          HD11      ILE  38  -7.233   1.793   4.057
  279   HD12  ILE  38          HD12      ILE  38  -7.650   1.909   2.346
  280   HD13  ILE  38          HD13      ILE  38  -6.964   0.418   2.982
  281    H    GLY  39           HN       GLY  39 -12.775  -0.921   3.668
  282    HA2  GLY  39           HA2      GLY  39 -13.770  -2.059   1.958
  283    HA3  GLY  39           HA1      GLY  39 -13.837  -0.533   1.099
  284    H    TYR  40           HN       TYR  40 -10.770  -1.943   2.071
  285    HA   TYR  40           HA       TYR  40 -10.228  -2.214  -0.765
  286    HB2  TYR  40           HB2      TYR  40  -8.463  -1.430   1.465
  287    HB3  TYR  40           HB1      TYR  40  -7.816  -2.689   0.442
  288    HD1  TYR  40           HD2      TYR  40  -9.639   0.546  -0.032
  289    HD2  TYR  40           HD1      TYR  40  -6.671  -2.171  -1.356
  290    HE1  TYR  40           HE2      TYR  40  -9.101   2.050  -1.911
  291    HE2  TYR  40           HE1      TYR  40  -6.137  -0.704  -3.221
  292    HH   TYR  40           HH       TYR  40  -7.083   2.433  -3.478
  293    H    ASP  41           HN       ASP  41 -10.447  -4.013  -1.693
  294    HA   ASP  41           HA       ASP  41 -10.340  -6.472  -0.164
  295    HB2  ASP  41           HB2      ASP  41 -11.336  -7.512  -2.052
  296    HB3  ASP  41           HB1      ASP  41 -12.131  -5.945  -1.942
  297    H    SER  42           HN       SER  42  -9.250  -8.264  -1.404
  298    HA   SER  42           HA       SER  42  -6.561  -8.083  -1.378
  299    HB2  SER  42           HB2      SER  42  -6.753 -10.210  -2.762
  300    HB3  SER  42           HB1      SER  42  -7.634 -10.155  -1.225
  301    H    LEU  43           HN       LEU  43  -8.652  -7.652  -4.263
  302    HA   LEU  43           HA       LEU  43  -6.458  -7.659  -6.109
  303    HB2  LEU  43           HB2      LEU  43  -8.874  -8.270  -6.636
  304    HB3  LEU  43           HB1      LEU  43  -9.246  -6.567  -6.570
  305    HG   LEU  43           HG       LEU  43  -7.361  -7.832  -8.584
  306   HD11  LEU  43          HD11      LEU  43  -9.612  -8.651  -8.876
  307   HD12  LEU  43          HD12      LEU  43  -9.187  -7.541 -10.180
  308   HD13  LEU  43          HD13      LEU  43 -10.235  -7.001  -8.867
  309   HD21  LEU  43          HD21      LEU  43  -6.918  -5.399  -8.259
  310   HD22  LEU  43          HD22      LEU  43  -8.616  -5.060  -8.543
  311   HD23  LEU  43          HD23      LEU  43  -7.623  -5.715  -9.839
  312    H    ALA  44           HN       ALA  44  -8.541  -5.146  -4.750
  313    HA   ALA  44           HA       ALA  44  -7.236  -3.038  -6.052
  314    HB1  ALA  44           HB1      ALA  44  -8.355  -1.583  -4.440
  315    HB2  ALA  44           HB2      ALA  44  -8.751  -2.980  -3.441
  316    HB3  ALA  44           HB3      ALA  44  -9.462  -2.815  -5.048
  317    H    LEU  45           HN       LEU  45  -6.700  -4.581  -2.942
  318    HA   LEU  45           HA       LEU  45  -4.767  -2.828  -1.882
  319    HB2  LEU  45           HB2      LEU  45  -6.077  -4.645  -0.689
  320    HB3  LEU  45           HB1      LEU  45  -5.006  -5.810  -1.412
  321    HG   LEU  45           HG       LEU  45  -4.209  -3.700   0.624
  322   HD11  LEU  45          HD11      LEU  45  -3.883  -5.577   2.079
  323   HD12  LEU  45          HD12      LEU  45  -4.541  -6.667   0.843
  324   HD13  LEU  45          HD13      LEU  45  -5.580  -5.433   1.588
  325   HD21  LEU  45          HD21      LEU  45  -2.099  -4.941   0.782
  326   HD22  LEU  45          HD22      LEU  45  -2.363  -4.243  -0.829
  327   HD23  LEU  45          HD23      LEU  45  -2.633  -5.967  -0.570
  328    H    MET  46           HN       MET  46  -4.423  -5.849  -3.705
  329    HA   MET  46           HA       MET  46  -1.607  -5.909  -3.670
  330    HB2  MET  46           HB2      MET  46  -1.719  -7.644  -5.331
  331    HB3  MET  46           HB1      MET  46  -3.077  -7.862  -4.243
  332    HG2  MET  46           HG2      MET  46  -4.176  -8.155  -6.239
  333    HG3  MET  46           HG1      MET  46  -4.263  -6.385  -6.042
  334    HE1  MET  46           HE1      MET  46  -3.821  -6.809  -9.921
  335    HE2  MET  46           HE2      MET  46  -4.837  -6.148  -8.640
  336    HE3  MET  46           HE3      MET  46  -4.699  -7.895  -8.844
  337    H    GLU  47           HN       GLU  47  -3.877  -4.309  -5.760
  338    HA   GLU  47           HA       GLU  47  -2.010  -3.661  -7.785
  339    HB2  GLU  47           HB2      GLU  47  -4.455  -3.865  -8.156
  340    HB3  GLU  47           HB1      GLU  47  -4.709  -2.452  -7.150
  341    HG2  GLU  47           HG2      GLU  47  -4.872  -1.922  -9.495
  342    HG3  GLU  47           HG1      GLU  47  -3.535  -1.080  -8.733
  343    H    THR  48           HN       THR  48  -3.119  -2.108  -4.812
  344    HA   THR  48           HA       THR  48  -1.935   0.415  -5.105
  345    HB   THR  48           HB       THR  48  -2.051  -1.253  -2.576
  346    HG1  THR  48           HG1      THR  48  -4.072   0.091  -4.012
  347   HG21  THR  48          HG21      THR  48  -2.241   0.931  -1.466
  348   HG22  THR  48          HG22      THR  48  -2.105   1.733  -3.030
  349   HG23  THR  48          HG23      THR  48  -0.744   0.806  -2.393
  350    H    ALA  49           HN       ALA  49  -0.737  -2.541  -3.528
  351    HA   ALA  49           HA       ALA  49   1.852  -1.695  -2.957
  352    HB1  ALA  49           HB1      ALA  49   2.420  -4.037  -2.728
  353    HB2  ALA  49           HB2      ALA  49   0.943  -4.495  -3.569
  354    HB3  ALA  49           HB3      ALA  49   0.849  -3.710  -1.983
  355    H    ALA  50           HN       ALA  50   0.720  -3.662  -5.701
  356    HA   ALA  50           HA       ALA  50   3.203  -4.003  -6.926
  357    HB1  ALA  50           HB1      ALA  50   1.970  -4.714  -8.884
  358    HB2  ALA  50           HB2      ALA  50   0.498  -3.987  -8.237
  359    HB3  ALA  50           HB3      ALA  50   1.237  -5.363  -7.417
  360    H    ARG  51           HN       ARG  51   0.960  -1.391  -7.085
  361    HA   ARG  51           HA       ARG  51   1.820  -0.066  -9.408
  362    HB2  ARG  51           HB2      ARG  51  -0.192   0.380  -7.808
  363    HB3  ARG  51           HB1      ARG  51   0.957   1.337  -6.887
  364    HG2  ARG  51           HG2      ARG  51   0.365   3.028  -8.177
  365    HG3  ARG  51           HG1      ARG  51   1.279   2.234  -9.469
  366    HD2  ARG  51           HD2      ARG  51  -1.669   2.028  -8.888
  367    HD3  ARG  51           HD1      ARG  51  -0.898   2.697 -10.321
  368    HE   ARG  51           HE       ARG  51  -0.990  -0.159  -9.602
  369   HH11  ARG  51          HH11      ARG  51  -0.681   2.362 -12.094
  370   HH12  ARG  51          HH12      ARG  51  -0.837   1.264 -13.380
  371   HH21  ARG  51          HH21      ARG  51  -1.221  -1.585 -11.328
  372   HH22  ARG  51          HH22      ARG  51  -1.093  -1.061 -12.959
  373    H    LEU  52           HN       LEU  52   2.585   0.439  -6.002
  374    HA   LEU  52           HA       LEU  52   4.698   2.267  -6.446
  375    HB2  LEU  52           HB2      LEU  52   3.913   0.723  -3.992
  376    HB3  LEU  52           HB1      LEU  52   5.126   1.989  -4.023
  377    HG   LEU  52           HG       LEU  52   2.208   2.361  -4.690
  378   HD11  LEU  52          HD11      LEU  52   3.790   3.156  -2.255
  379   HD12  LEU  52          HD12      LEU  52   2.528   1.927  -2.330
  380   HD13  LEU  52          HD13      LEU  52   2.124   3.623  -2.597
  381   HD21  LEU  52          HD21      LEU  52   4.454   4.356  -4.423
  382   HD22  LEU  52          HD22      LEU  52   2.750   4.747  -4.683
  383   HD23  LEU  52          HD23      LEU  52   3.657   3.884  -5.927
  384    H    GLU  53           HN       GLU  53   4.597  -1.203  -5.805
  385    HA   GLU  53           HA       GLU  53   7.271  -1.698  -5.313
  386    HB2  GLU  53           HB2      GLU  53   5.307  -3.403  -6.835
  387    HB3  GLU  53           HB1      GLU  53   6.898  -3.948  -6.350
  388    HG2  GLU  53           HG2      GLU  53   6.221  -3.635  -3.977
  389    HG3  GLU  53           HG1      GLU  53   4.628  -3.168  -4.555
  390    H    SER  54           HN       SER  54   5.614  -1.927  -8.405
  391    HA   SER  54           HA       SER  54   7.936  -2.371  -9.938
  392    HB2  SER  54           HB2      SER  54   5.297  -1.209 -10.843
  393    HB3  SER  54           HB1      SER  54   6.512  -1.983 -11.863
  394    HG   SER  54           HG       SER  54   4.716  -3.103 -10.038
  395    H    ARG  55           HN       ARG  55   6.322   0.522  -8.902
  396    HA   ARG  55           HA       ARG  55   7.395   2.341 -10.754
  397    HB2  ARG  55           HB2      ARG  55   5.361   2.747  -9.458
  398    HB3  ARG  55           HB1      ARG  55   6.307   2.829  -7.986
  399    HG2  ARG  55           HG2      ARG  55   7.400   4.840  -8.768
  400    HG3  ARG  55           HG1      ARG  55   6.529   4.734 -10.302
  401    HD2  ARG  55           HD2      ARG  55   5.248   5.020  -7.587
  402    HD3  ARG  55           HD1      ARG  55   5.516   6.341  -8.720
  403    HE   ARG  55           HE       ARG  55   4.076   4.310 -10.006
  404   HH11  ARG  55          HH11      ARG  55   3.638   6.884  -7.589
  405   HH12  ARG  55          HH12      ARG  55   1.963   7.033  -7.817
  406   HH21  ARG  55          HH21      ARG  55   1.704   4.505 -10.320
  407   HH22  ARG  55          HH22      ARG  55   0.817   5.618  -9.406
  408    H    TYR  56           HN       TYR  56   8.645   1.194  -7.648
  409    HA   TYR  56           HA       TYR  56  10.995   2.892  -8.177
  410    HB2  TYR  56           HB2      TYR  56  10.176   1.888  -5.430
  411    HB3  TYR  56           HB1      TYR  56  11.484   2.963  -5.830
  412    HD1  TYR  56           HD2      TYR  56  11.036   5.234  -6.790
  413    HD2  TYR  56           HD1      TYR  56   7.954   2.825  -5.116
  414    HE1  TYR  56           HE2      TYR  56   9.598   7.217  -6.599
  415    HE2  TYR  56           HE1      TYR  56   6.504   4.799  -4.929
  416    HH   TYR  56           HH       TYR  56   6.779   7.310  -4.769
  417    H    GLY  57           HN       GLY  57  10.138   0.077  -8.872
  418    HA2  GLY  57           HA2      GLY  57  11.195  -1.909  -9.284
  419    HA3  GLY  57           HA1      GLY  57  12.690  -1.031  -9.030
  420    H    VAL  58           HN       VAL  58  10.050  -1.917  -6.858
  421    HA   VAL  58           HA       VAL  58  11.977  -3.464  -5.324
  422    HB   VAL  58           HB       VAL  58  10.902  -2.811  -3.194
  423   HG11  VAL  58          HG11      VAL  58  12.899  -1.656  -3.884
  424   HG12  VAL  58          HG12      VAL  58  11.817  -0.553  -3.035
  425   HG13  VAL  58          HG13      VAL  58  11.939  -0.491  -4.792
  426   HG21  VAL  58          HG21      VAL  58   9.370  -0.822  -4.874
  427   HG22  VAL  58          HG22      VAL  58   9.429  -0.835  -3.112
  428   HG23  VAL  58          HG23      VAL  58   8.699  -2.191  -3.976
  429    H    SER  59           HN       SER  59  10.547  -4.795  -3.551
  430    HA   SER  59           HA       SER  59   8.226  -5.842  -4.876
  431    HB2  SER  59           HB2      SER  59   9.299  -8.166  -4.680
  432    HB3  SER  59           HB1      SER  59   9.828  -7.122  -6.002
  433    HG   SER  59           HG       SER  59  11.111  -7.932  -3.691
  434    H    ILE  60           HN       ILE  60   6.935  -7.055  -3.536
  435    HA   ILE  60           HA       ILE  60   7.649  -7.270  -0.676
  436    HB   ILE  60           HB       ILE  60   4.967  -6.628  -1.959
  437   HG12  ILE  60          HG12      ILE  60   6.705  -4.935  -0.161
  438   HG13  ILE  60          HG11      ILE  60   6.509  -4.727  -1.899
  439   HG21  ILE  60          HG21      ILE  60   5.593  -6.963   0.975
  440   HG22  ILE  60          HG22      ILE  60   4.620  -8.050  -0.020
  441   HG23  ILE  60          HG23      ILE  60   4.058  -6.411   0.299
  442   HD11  ILE  60          HD11      ILE  60   5.201  -3.143  -0.646
  443   HD12  ILE  60          HD12      ILE  60   4.343  -4.456   0.162
  444   HD13  ILE  60          HD13      ILE  60   4.158  -4.215  -1.581
  445    HA   PRO  61           HA       PRO  61   6.710 -11.649  -1.395
  446    HB2  PRO  61           HB2      PRO  61   5.870 -11.512   1.471
  447    HB3  PRO  61           HB1      PRO  61   6.977 -12.646   0.678
  448    HG2  PRO  61           HG2      PRO  61   7.937 -10.726   2.229
  449    HG3  PRO  61           HG1      PRO  61   8.749 -11.139   0.705
  450    HD2  PRO  61           HD2      PRO  61   6.959  -8.826   1.332
  451    HD3  PRO  61           HD1      PRO  61   8.445  -8.873   0.361
  452    H    ASP  62           HN       ASP  62   4.892 -12.470  -2.169
  453    HA   ASP  62           HA       ASP  62   2.523 -10.994  -2.383
  454    HB2  ASP  62           HB2      ASP  62   3.281 -12.706  -3.998
  455    HB3  ASP  62           HB1      ASP  62   2.845 -13.962  -2.846
  456    H    ASP  63           HN       ASP  63   3.315 -13.658  -0.199
  457    HA   ASP  63           HA       ASP  63   0.642 -13.864   0.832
  458    HB2  ASP  63           HB2      ASP  63   2.157 -15.787   1.001
  459    HB3  ASP  63           HB1      ASP  63   3.247 -14.787   1.971
  460    H    VAL  64           HN       VAL  64   3.344 -11.868   1.487
  461    HA   VAL  64           HA       VAL  64   2.414 -11.167   4.078
  462    HB   VAL  64           HB       VAL  64   4.589  -9.821   2.427
  463   HG11  VAL  64          HG11      VAL  64   3.901  -9.449   5.351
  464   HG12  VAL  64          HG12      VAL  64   3.625  -8.264   4.077
  465   HG13  VAL  64          HG13      VAL  64   5.273  -8.722   4.509
  466   HG21  VAL  64          HG21      VAL  64   5.102 -12.106   3.069
  467   HG22  VAL  64          HG22      VAL  64   4.733 -11.727   4.752
  468   HG23  VAL  64          HG23      VAL  64   6.109 -10.964   3.957
  469    H    ALA  65           HN       ALA  65   1.983 -10.014   0.839
  470    HA   ALA  65           HA       ALA  65   0.751  -7.561   1.505
  471    HB1  ALA  65           HB1      ALA  65   1.491  -8.063  -0.793
  472    HB2  ALA  65           HB2      ALA  65  -0.201  -7.573  -0.727
  473    HB3  ALA  65           HB3      ALA  65   0.211  -9.273  -0.935
  474    H    GLY  66           HN       GLY  66  -0.291 -10.809   1.850
  475    HA2  GLY  66           HA2      GLY  66  -3.063  -9.925   2.336
  476    HA3  GLY  66           HA1      GLY  66  -2.537 -11.597   2.158
  477    H    ARG  67           HN       ARG  67  -0.264 -10.154   3.918
  478    HA   ARG  67           HA       ARG  67  -1.277 -11.238   6.441
  479    HB2  ARG  67           HB2      ARG  67   0.860 -12.093   5.606
  480    HB3  ARG  67           HB1      ARG  67   1.480 -10.459   5.495
  481    HG2  ARG  67           HG2      ARG  67   1.384 -10.279   7.946
  482    HG3  ARG  67           HG1      ARG  67   0.838 -11.959   8.021
  483    HD2  ARG  67           HD2      ARG  67   2.854 -12.755   7.061
  484    HD3  ARG  67           HD1      ARG  67   3.358 -11.129   6.616
  485    HE   ARG  67           HE       ARG  67   3.027 -11.471   9.442
  486   HH11  ARG  67          HH11      ARG  67   5.268 -12.118   6.781
  487   HH12  ARG  67          HH12      ARG  67   6.683 -11.906   7.702
  488   HH21  ARG  67          HH21      ARG  67   4.983 -11.170  10.747
  489   HH22  ARG  67          HH22      ARG  67   6.499 -11.299  10.001
  490    H    VAL  68           HN       VAL  68  -0.701  -8.330   4.824
  491    HA   VAL  68           HA       VAL  68  -0.097  -6.724   7.112
  492    HB   VAL  68           HB       VAL  68  -0.364  -4.779   5.527
  493   HG11  VAL  68          HG11      VAL  68   1.415  -7.004   4.567
  494   HG12  VAL  68          HG12      VAL  68   1.793  -5.849   5.841
  495   HG13  VAL  68          HG13      VAL  68   1.591  -5.291   4.179
  496   HG21  VAL  68          HG21      VAL  68  -2.054  -5.742   4.049
  497   HG22  VAL  68          HG22      VAL  68  -0.891  -6.949   3.500
  498   HG23  VAL  68          HG23      VAL  68  -0.627  -5.241   3.141
  499    H    ASP  69           HN       ASP  69  -1.408  -5.507   8.321
  500    HA   ASP  69           HA       ASP  69  -4.247  -6.008   7.996
  501    HB2  ASP  69           HB2      ASP  69  -4.492  -5.295  10.309
  502    HB3  ASP  69           HB1      ASP  69  -3.184  -6.456  10.209
  503    H    THR  70           HN       THR  70  -2.058  -3.321   8.486
  504    HA   THR  70           HA       THR  70  -4.140  -1.463   7.603
  505    HB   THR  70           HB       THR  70  -2.630   0.193   8.845
  506    HG1  THR  70           HG1      THR  70  -1.664  -2.240  10.023
  507   HG21  THR  70          HG21      THR  70  -3.982  -2.014  10.417
  508   HG22  THR  70          HG22      THR  70  -4.788  -0.594   9.745
  509   HG23  THR  70          HG23      THR  70  -3.598  -0.406  11.033
  510    HA   PRO  71           HA       PRO  71  -1.680  -0.303   4.047
  511    HB2  PRO  71           HB2      PRO  71  -2.195   2.517   4.867
  512    HB3  PRO  71           HB1      PRO  71  -2.501   1.729   3.314
  513    HG2  PRO  71           HG2      PRO  71  -4.518   2.265   4.937
  514    HG3  PRO  71           HG1      PRO  71  -4.455   0.722   4.062
  515    HD2  PRO  71           HD2      PRO  71  -3.802   1.306   6.923
  516    HD3  PRO  71           HD1      PRO  71  -4.688  -0.069   6.228
  517    H    ARG  72           HN       ARG  72  -1.210   1.391   7.077
  518    HA   ARG  72           HA       ARG  72   1.310   2.507   6.752
  519    HB2  ARG  72           HB2      ARG  72  -0.226   2.716   8.753
  520    HB3  ARG  72           HB1      ARG  72   0.336   1.130   9.260
  521    HG2  ARG  72           HG2      ARG  72   2.654   2.047   9.273
  522    HG3  ARG  72           HG1      ARG  72   1.958   3.641   8.993
  523    HD2  ARG  72           HD2      ARG  72   1.507   1.832  11.359
  524    HD3  ARG  72           HD1      ARG  72   2.381   3.358  11.340
  525    HE   ARG  72           HE       ARG  72  -0.526   3.006  11.129
  526   HH11  ARG  72          HH11      ARG  72   2.163   5.265  11.389
  527   HH12  ARG  72          HH12      ARG  72   1.348   6.429  12.302
  528   HH21  ARG  72          HH21      ARG  72  -1.709   4.569  12.519
  529   HH22  ARG  72          HH22      ARG  72  -0.917   6.025  12.930
  530    H    GLU  73           HN       GLU  73   0.428  -0.769   7.767
  531    HA   GLU  73           HA       GLU  73   3.034  -1.788   8.148
  532    HB2  GLU  73           HB2      GLU  73   0.942  -2.755   9.095
  533    HB3  GLU  73           HB1      GLU  73   0.475  -3.259   7.481
  534    HG2  GLU  73           HG2      GLU  73   1.357  -5.124   8.727
  535    HG3  GLU  73           HG1      GLU  73   2.433  -4.723   7.387
  536    H    LEU  74           HN       LEU  74   0.804  -1.794   5.448
  537    HA   LEU  74           HA       LEU  74   2.336  -3.454   3.733
  538    HB2  LEU  74           HB2      LEU  74  -0.130  -3.008   3.552
  539    HB3  LEU  74           HB1      LEU  74   0.223  -1.384   3.035
  540    HG   LEU  74           HG       LEU  74  -0.535  -3.031   1.269
  541   HD11  LEU  74          HD11      LEU  74   2.125  -1.670   0.804
  542   HD12  LEU  74          HD12      LEU  74   0.534  -0.930   0.630
  543   HD13  LEU  74          HD13      LEU  74   1.024  -2.228  -0.458
  544   HD21  LEU  74          HD21      LEU  74   1.161  -4.530   0.313
  545   HD22  LEU  74          HD22      LEU  74   0.746  -4.961   1.973
  546   HD23  LEU  74          HD23      LEU  74   2.254  -4.113   1.633
  547    H    LEU  75           HN       LEU  75   2.110   0.033   4.158
  548    HA   LEU  75           HA       LEU  75   3.881   0.920   2.201
  549    HB2  LEU  75           HB2      LEU  75   2.428   2.373   3.558
  550    HB3  LEU  75           HB1      LEU  75   3.400   2.024   4.968
  551    HG   LEU  75           HG       LEU  75   5.325   3.141   3.891
  552   HD11  LEU  75          HD11      LEU  75   4.960   4.506   1.900
  553   HD12  LEU  75          HD12      LEU  75   3.328   3.852   1.752
  554   HD13  LEU  75          HD13      LEU  75   4.725   2.790   1.569
  555   HD21  LEU  75          HD21      LEU  75   3.886   4.378   5.420
  556   HD22  LEU  75          HD22      LEU  75   2.817   4.807   4.085
  557   HD23  LEU  75          HD23      LEU  75   4.469   5.428   4.127
  558    H    ASP  76           HN       ASP  76   4.448  -0.297   5.444
  559    HA   ASP  76           HA       ASP  76   7.185   0.294   5.667
  560    HB2  ASP  76           HB2      ASP  76   5.819  -0.372   7.607
  561    HB3  ASP  76           HB1      ASP  76   5.674  -1.996   6.948
  562    H    LEU  77           HN       LEU  77   5.514  -2.506   4.267
  563    HA   LEU  77           HA       LEU  77   7.783  -4.056   3.825
  564    HB2  LEU  77           HB2      LEU  77   5.005  -3.971   2.849
  565    HB3  LEU  77           HB1      LEU  77   6.148  -4.834   1.859
  566    HG   LEU  77           HG       LEU  77   4.984  -6.376   3.298
  567   HD11  LEU  77          HD11      LEU  77   6.852  -7.436   4.455
  568   HD12  LEU  77          HD12      LEU  77   7.810  -5.971   4.231
  569   HD13  LEU  77          HD13      LEU  77   7.281  -6.901   2.828
  570   HD21  LEU  77          HD21      LEU  77   4.325  -4.851   5.085
  571   HD22  LEU  77          HD22      LEU  77   6.001  -4.736   5.620
  572   HD23  LEU  77          HD23      LEU  77   5.139  -6.271   5.745
  573    H    ILE  78           HN       ILE  78   6.334  -1.447   2.060
  574    HA   ILE  78           HA       ILE  78   7.976  -1.776  -0.270
  575    HB   ILE  78           HB       ILE  78   6.364   0.647   0.627
  576   HG12  ILE  78          HG12      ILE  78   5.696  -1.597  -1.282
  577   HG13  ILE  78          HG11      ILE  78   4.987  -1.352   0.307
  578   HG21  ILE  78          HG21      ILE  78   6.516   1.349  -1.733
  579   HG22  ILE  78          HG22      ILE  78   7.543  -0.042  -2.078
  580   HG23  ILE  78          HG23      ILE  78   8.114   1.227  -0.996
  581   HD11  ILE  78          HD11      ILE  78   4.707   0.438  -2.083
  582   HD12  ILE  78          HD12      ILE  78   3.968   0.725  -0.499
  583   HD13  ILE  78          HD13      ILE  78   3.496  -0.680  -1.465
  584    H    ASN  79           HN       ASN  79   7.891   0.471   2.469
  585    HA   ASN  79           HA       ASN  79  10.200   1.914   1.777
  586    HB2  ASN  79           HB2      ASN  79   8.774   1.576   4.402
  587    HB3  ASN  79           HB1      ASN  79  10.248   2.532   4.277
  588   HD21  ASN  79          HD21      ASN  79   7.478   3.365   4.918
  589   HD22  ASN  79          HD22      ASN  79   7.130   4.576   3.735
  590    H    GLY  80           HN       GLY  80   9.867  -1.030   3.634
  591    HA2  GLY  80           HA2      GLY  80  12.530  -1.205   4.549
  592    HA3  GLY  80           HA1      GLY  80  11.458  -2.575   4.267
  593    H    ALA  81           HN       ALA  81  10.986  -2.152   1.548
  594    HA   ALA  81           HA       ALA  81  13.317  -3.320   0.413
  595    HB1  ALA  81           HB1      ALA  81  11.985  -3.389  -1.658
  596    HB2  ALA  81           HB2      ALA  81  10.753  -2.381  -0.895
  597    HB3  ALA  81           HB3      ALA  81  11.060  -3.998  -0.286
  598    H    LEU  82           HN       LEU  82  11.746  -0.169   0.315
  599    HA   LEU  82           HA       LEU  82  13.316   1.059  -1.653
  600    HB2  LEU  82           HB2      LEU  82  11.879   2.281   0.692
  601    HB3  LEU  82           HB1      LEU  82  12.631   3.216  -0.582
  602    HG   LEU  82           HG       LEU  82  10.313   1.314  -0.911
  603   HD11  LEU  82          HD11      LEU  82   9.055   3.340  -1.406
  604   HD12  LEU  82          HD12      LEU  82  10.484   4.316  -1.064
  605   HD13  LEU  82          HD13      LEU  82   9.724   3.380   0.224
  606   HD21  LEU  82          HD21      LEU  82  10.222   2.144  -3.202
  607   HD22  LEU  82          HD22      LEU  82  11.757   1.335  -2.880
  608   HD23  LEU  82          HD23      LEU  82  11.679   3.095  -2.922
  609    H    ALA  83           HN       ALA  83  13.954   0.431   1.655
  610    HA   ALA  83           HA       ALA  83  16.126   2.178   2.033
  611    HB1  ALA  83           HB1      ALA  83  16.759   0.719   3.883
  612    HB2  ALA  83           HB2      ALA  83  15.665  -0.527   3.284
  613    HB3  ALA  83           HB3      ALA  83  15.015   1.002   3.886
  614    H    GLU  84           HN       GLU  84  15.791  -0.769   0.293
  615    HA   GLU  84           HA       GLU  84  18.688  -1.071   0.078
  616    HB2  GLU  84           HB2      GLU  84  17.247  -2.997   0.798
  617    HB3  GLU  84           HB1      GLU  84  16.528  -2.978  -0.804
  618    HG2  GLU  84           HG2      GLU  84  18.704  -3.441  -1.787
  619    HG3  GLU  84           HG1      GLU  84  19.424  -3.428  -0.174
  620    H    ALA  85           HN       ALA  85  15.715  -0.857  -1.890
  621    HA   ALA  85           HA       ALA  85  17.332   0.044  -4.165
  622    HB1  ALA  85           HB1      ALA  85  16.780  -2.314  -4.509
  623    HB2  ALA  85           HB2      ALA  85  15.927  -1.275  -5.654
  624    HB3  ALA  85           HB3      ALA  85  15.070  -1.946  -4.265
  625    H    ALA  86           HN       ALA  86  16.229   1.489  -5.526
  626    HA   ALA  86           HA       ALA  86  13.518   2.136  -5.290
  627    HB1  ALA  86           HB1      ALA  86  13.823   4.453  -4.467
  628    HB2  ALA  86           HB2      ALA  86  15.524   4.113  -4.159
  629    HB3  ALA  86           HB3      ALA  86  14.275   3.272  -3.237
  630   H281  PSR  87          H28A      PSR  87  -8.382 -10.625  -6.097
  631   H282  PSR  87          H28B      PSR  87  -7.217  -9.882  -5.004
  632   H301  PSR  87          H30A      PSR  87  -5.450  -9.461  -6.387
  633   H302  PSR  87          H30B      PSR  87  -6.580  -9.769  -7.705
  634   H303  PSR  87          H30C      PSR  87  -4.987 -10.537  -7.704
  635   H311  PSR  87          H31A      PSR  87  -4.448 -12.296  -6.038
  636   H312  PSR  87          H31B      PSR  87  -5.642 -12.724  -4.809
  637   H313  PSR  87          H31C      PSR  87  -4.884 -11.136  -4.779
  638   H321  PSR  87          H32A      PSR  87  -6.060 -12.976  -7.797
  639   H331  PSR  87          H33A      PSR  87  -8.570 -12.434  -8.151
  640   H361  PSR  87          H36A      PSR  87  -6.203 -14.151  -5.484
  641   H371  PSR  87          H37A      PSR  87  -8.405 -14.932  -4.118
  642   H372  PSR  87          H37B      PSR  87  -8.488 -15.909  -5.573
  643   H381  PSR  87          H38A      PSR  87  -7.438 -17.128  -3.774
  644   H382  PSR  87          H38B      PSR  87  -6.296 -16.883  -5.104
  645   H411  PSR  87          H41A      PSR  87  -6.834 -14.156  -3.205
  646   H421  PSR  87          H42A      PSR  87  -4.693 -14.677  -1.293
  647   H422  PSR  87          H42B      PSR  87  -4.547 -13.340  -2.424
  648   H431  PSR  87          H43A      PSR  87  -6.693 -13.678  -0.367
  649   H432  PSR  87          H43B      PSR  87  -6.690 -12.466  -1.651
  650   HC21  PSR  87          H2A       PSR  87  -2.951 -10.425   0.071
  651   HC22  PSR  87          H2B       PSR  87  -3.291  -9.254  -1.203
  652   HC31  PSR  87          H3A       PSR  87  -1.744 -11.818  -1.630
  653   HC32  PSR  87          H3B       PSR  87  -0.994 -10.253  -1.292
  654   HC41  PSR  87          H4C       PSR  87  -1.012 -10.734  -3.687
  655   HC42  PSR  87          H4A       PSR  87  -2.017  -9.333  -3.313
  656   HC43  PSR  87          H4B       PSR  87  -2.769 -10.893  -3.644
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  18.104   9.517   6.298
    2    H2   MET   1           HT2      MET   1  18.149   8.724   7.808
    3    H3   MET   1           HT3      MET   1  16.939   8.352   6.701
    4    HA   MET   1           HA       MET   1  19.823   7.926   6.294
    5    HB2  MET   1           HB2      MET   1  18.886   6.400   7.997
    6    HB3  MET   1           HB1      MET   1  17.627   5.915   6.871
    7    HG2  MET   1           HG2      MET   1  19.305   4.958   5.390
    8    HG3  MET   1           HG1      MET   1  20.579   5.477   6.490
    9    HE1  MET   1           HE1      MET   1  20.308   2.492   5.443
   10    HE2  MET   1           HE2      MET   1  20.613   1.595   6.932
   11    HE3  MET   1           HE3      MET   1  21.565   3.031   6.557
   12    H    ALA   2           HN       ALA   2  16.523   7.145   5.100
   13    HA   ALA   2           HA       ALA   2  17.637   7.341   2.409
   14    HB1  ALA   2           HB1      ALA   2  16.428   5.328   1.743
   15    HB2  ALA   2           HB2      ALA   2  15.907   5.084   3.412
   16    HB3  ALA   2           HB3      ALA   2  17.617   4.970   2.996
   17    H    THR   3           HN       THR   3  16.052   7.877   0.825
   18    HA   THR   3           HA       THR   3  13.883   9.424   1.758
   19    HB   THR   3           HB       THR   3  13.469   9.212  -0.861
   20    HG1  THR   3           HG1      THR   3  14.903   7.639  -1.414
   21   HG21  THR   3          HG21      THR   3  15.089  11.038  -1.208
   22   HG22  THR   3          HG22      THR   3  15.860  10.646   0.328
   23   HG23  THR   3          HG23      THR   3  14.205  11.257   0.303
   24    H    LEU   4           HN       LEU   4  12.210   8.386   2.619
   25    HA   LEU   4           HA       LEU   4  11.430   5.769   1.566
   26    HB2  LEU   4           HB2      LEU   4  10.832   7.048   4.233
   27    HB3  LEU   4           HB1      LEU   4  10.314   5.455   3.731
   28    HG   LEU   4           HG       LEU   4  13.170   6.327   4.182
   29   HD11  LEU   4          HD11      LEU   4  13.097   4.782   6.073
   30   HD12  LEU   4          HD12      LEU   4  11.387   4.485   5.761
   31   HD13  LEU   4          HD13      LEU   4  11.926   6.090   6.248
   32   HD21  LEU   4          HD21      LEU   4  12.057   3.622   3.435
   33   HD22  LEU   4          HD22      LEU   4  13.738   3.963   3.852
   34   HD23  LEU   4          HD23      LEU   4  13.027   4.668   2.399
   35    H    LEU   5           HN       LEU   5   9.000   5.388   2.039
   36    HA   LEU   5           HA       LEU   5   7.566   7.375   0.521
   37    HB2  LEU   5           HB2      LEU   5   6.652   4.755   1.678
   38    HB3  LEU   5           HB1      LEU   5   5.761   5.758   0.553
   39    HG   LEU   5           HG       LEU   5   8.307   4.266   0.004
   40   HD11  LEU   5          HD11      LEU   5   6.316   2.877   0.111
   41   HD12  LEU   5          HD12      LEU   5   6.902   3.019  -1.548
   42   HD13  LEU   5          HD13      LEU   5   5.501   3.957  -1.019
   43   HD21  LEU   5          HD21      LEU   5   8.284   6.394  -1.138
   44   HD22  LEU   5          HD22      LEU   5   6.670   6.054  -1.761
   45   HD23  LEU   5          HD23      LEU   5   8.041   5.070  -2.276
   46    H    THR   6           HN       THR   6   5.974   8.587   1.296
   47    HA   THR   6           HA       THR   6   5.721   8.625   4.191
   48    HB   THR   6           HB       THR   6   4.777  10.904   3.839
   49    HG1  THR   6           HG1      THR   6   5.395  10.328   1.082
   50   HG21  THR   6          HG21      THR   6   7.162  10.623   4.343
   51   HG22  THR   6          HG22      THR   6   6.908  11.985   3.251
   52   HG23  THR   6          HG23      THR   6   7.510  10.453   2.623
   53    H    THR   7           HN       THR   7   3.338   9.702   4.679
   54    HA   THR   7           HA       THR   7   1.475   7.726   4.233
   55    HB   THR   7           HB       THR   7   0.792  10.618   4.704
   56    HG1  THR   7           HG1      THR   7   1.324  10.384   6.753
   57   HG21  THR   7          HG21      THR   7  -0.963   9.621   6.098
   58   HG22  THR   7          HG22      THR   7  -0.362   8.009   5.708
   59   HG23  THR   7          HG23      THR   7  -1.051   9.026   4.441
   60    H    ASP   8           HN       ASP   8   2.102  10.792   2.574
   61    HA   ASP   8           HA       ASP   8  -0.112  10.859   0.869
   62    HB2  ASP   8           HB2      ASP   8   1.376  12.781   1.166
   63    HB3  ASP   8           HB1      ASP   8   2.649  11.936   0.286
   64    H    ASP   9           HN       ASP   9   3.040   9.395   0.372
   65    HA   ASP   9           HA       ASP   9   2.741   8.640  -2.350
   66    HB2  ASP   9           HB2      ASP   9   4.354   7.252  -0.185
   67    HB3  ASP   9           HB1      ASP   9   4.481   6.917  -1.901
   68    H    LEU  10           HN       LEU  10   2.150   7.024   0.653
   69    HA   LEU  10           HA       LEU  10   1.251   4.549  -0.346
   70    HB2  LEU  10           HB2      LEU  10   1.995   5.280   1.989
   71    HB3  LEU  10           HB1      LEU  10   0.391   5.895   2.168
   72    HG   LEU  10           HG       LEU  10  -0.575   3.668   1.847
   73   HD11  LEU  10          HD11      LEU  10   1.171   2.692   0.459
   74   HD12  LEU  10          HD12      LEU  10   0.867   1.695   1.882
   75   HD13  LEU  10          HD13      LEU  10   2.294   2.732   1.818
   76   HD21  LEU  10          HD21      LEU  10   1.533   3.831   3.988
   77   HD22  LEU  10          HD22      LEU  10   0.139   2.748   3.992
   78   HD23  LEU  10          HD23      LEU  10  -0.097   4.493   4.084
   79    H    ARG  11           HN       ARG  11  -0.375   7.394   0.846
   80    HA   ARG  11           HA       ARG  11  -3.043   6.724   0.743
   81    HB2  ARG  11           HB2      ARG  11  -2.037   8.900   1.595
   82    HB3  ARG  11           HB1      ARG  11  -2.024   9.440  -0.073
   83    HG2  ARG  11           HG2      ARG  11  -4.496   9.012  -0.143
   84    HG3  ARG  11           HG1      ARG  11  -4.395   8.730   1.600
   85    HD2  ARG  11           HD2      ARG  11  -3.583  11.274   0.209
   86    HD3  ARG  11           HD1      ARG  11  -5.115  11.018   1.029
   87    HE   ARG  11           HE       ARG  11  -2.627  10.722   2.536
   88   HH11  ARG  11          HH11      ARG  11  -5.555  12.630   1.841
   89   HH12  ARG  11          HH12      ARG  11  -5.473  13.537   3.267
   90   HH21  ARG  11          HH21      ARG  11  -2.488  12.033   4.482
   91   HH22  ARG  11          HH22      ARG  11  -3.696  13.195   4.795
   92    H    ARG  12           HN       ARG  12  -1.274   8.439  -1.816
   93    HA   ARG  12           HA       ARG  12  -3.397   8.278  -3.589
   94    HB2  ARG  12           HB2      ARG  12  -1.789   8.893  -5.401
   95    HB3  ARG  12           HB1      ARG  12  -1.747   9.961  -4.009
   96    HG2  ARG  12           HG2      ARG  12   0.315   9.034  -3.265
   97    HG3  ARG  12           HG1      ARG  12   0.211   7.718  -4.436
   98    HD2  ARG  12           HD2      ARG  12   0.458  10.644  -5.122
   99    HD3  ARG  12           HD1      ARG  12   1.790   9.485  -5.125
  100    HE   ARG  12           HE       ARG  12  -0.318   8.512  -6.720
  101   HH11  ARG  12          HH11      ARG  12   2.237  10.991  -6.861
  102   HH12  ARG  12          HH12      ARG  12   2.260  10.996  -8.573
  103   HH21  ARG  12          HH21      ARG  12  -0.284   8.590  -8.977
  104   HH22  ARG  12          HH22      ARG  12   0.804   9.593  -9.825
  105    H    ALA  13           HN       ALA  13  -0.689   6.070  -3.072
  106    HA   ALA  13           HA       ALA  13  -1.027   4.550  -5.419
  107    HB1  ALA  13           HB1      ALA  13   0.279   2.832  -4.299
  108    HB2  ALA  13           HB2      ALA  13   0.043   3.650  -2.753
  109    HB3  ALA  13           HB3      ALA  13   0.981   4.426  -4.027
  110    H    LEU  14           HN       LEU  14  -2.437   4.275  -2.216
  111    HA   LEU  14           HA       LEU  14  -3.944   1.931  -2.675
  112    HB2  LEU  14           HB2      LEU  14  -4.228   4.237  -0.772
  113    HB3  LEU  14           HB1      LEU  14  -5.575   3.149  -0.968
  114    HG   LEU  14           HG       LEU  14  -4.350   2.611   1.023
  115   HD11  LEU  14          HD11      LEU  14  -5.369   0.774  -0.097
  116   HD12  LEU  14          HD12      LEU  14  -3.868   0.262   0.674
  117   HD13  LEU  14          HD13      LEU  14  -3.922   0.519  -1.072
  118   HD21  LEU  14          HD21      LEU  14  -2.050   1.781   0.994
  119   HD22  LEU  14          HD22      LEU  14  -2.152   3.462   0.462
  120   HD23  LEU  14          HD23      LEU  14  -1.938   2.170  -0.722
  121    H    VAL  15           HN       VAL  15  -4.845   5.345  -2.877
  122    HA   VAL  15           HA       VAL  15  -7.463   4.814  -3.683
  123    HB   VAL  15           HB       VAL  15  -6.566   6.995  -2.618
  124   HG11  VAL  15          HG11      VAL  15  -4.910   7.264  -4.164
  125   HG12  VAL  15          HG12      VAL  15  -5.894   8.707  -3.788
  126   HG13  VAL  15          HG13      VAL  15  -6.089   7.848  -5.358
  127   HG21  VAL  15          HG21      VAL  15  -8.487   7.214  -4.906
  128   HG22  VAL  15          HG22      VAL  15  -8.336   8.343  -3.557
  129   HG23  VAL  15          HG23      VAL  15  -8.899   6.693  -3.274
  130    H    GLU  16           HN       GLU  16  -4.644   5.530  -5.669
  131    HA   GLU  16           HA       GLU  16  -5.995   5.778  -8.136
  132    HB2  GLU  16           HB2      GLU  16  -3.158   4.952  -7.563
  133    HB3  GLU  16           HB1      GLU  16  -3.773   5.398  -9.143
  134    HG2  GLU  16           HG2      GLU  16  -4.224   7.642  -8.361
  135    HG3  GLU  16           HG1      GLU  16  -3.707   7.195  -6.737
  136    H    SER  17           HN       SER  17  -4.729   2.993  -6.414
  137    HA   SER  17           HA       SER  17  -4.971   1.274  -8.685
  138    HB2  SER  17           HB2      SER  17  -4.459   0.642  -5.794
  139    HB3  SER  17           HB1      SER  17  -4.201  -0.458  -7.154
  140    HG   SER  17           HG       SER  17  -2.732   1.685  -6.266
  141    H    ALA  18           HN       ALA  18  -7.119   2.359  -6.307
  142    HA   ALA  18           HA       ALA  18  -8.900   0.068  -6.685
  143    HB1  ALA  18           HB1      ALA  18  -9.251   2.544  -4.991
  144    HB2  ALA  18           HB2      ALA  18  -8.690   0.972  -4.416
  145    HB3  ALA  18           HB3      ALA  18 -10.336   1.153  -5.025
  146    H    GLY  19           HN       GLY  19  -8.470   3.387  -7.500
  147    HA2  GLY  19           HA2      GLY  19  -9.472   4.032  -9.690
  148    HA3  GLY  19           HA1      GLY  19 -10.997   3.459  -8.988
  149    H    GLU  20           HN       GLU  20  -8.792   6.050  -9.151
  150    HA   GLU  20           HA       GLU  20  -9.316   6.993  -6.556
  151    HB2  GLU  20           HB2      GLU  20  -8.018   8.981  -7.045
  152    HB3  GLU  20           HB1      GLU  20  -7.197   7.516  -7.546
  153    HG2  GLU  20           HG2      GLU  20  -7.637   7.974  -9.841
  154    HG3  GLU  20           HG1      GLU  20  -8.720   9.306  -9.421
  155    H    THR  21           HN       THR  21 -11.291   7.167  -9.025
  156    HA   THR  21           HA       THR  21 -12.962   9.021  -7.552
  157    HB   THR  21           HB       THR  21 -12.669   9.310 -10.576
  158    HG1  THR  21           HG1      THR  21 -11.603  10.800  -8.408
  159   HG21  THR  21          HG21      THR  21 -14.005  11.351 -10.242
  160   HG22  THR  21          HG22      THR  21 -14.087  11.018  -8.512
  161   HG23  THR  21          HG23      THR  21 -14.875   9.933  -9.655
  162    H    ASP  22           HN       ASP  22 -13.524   6.719  -7.078
  163    HA   ASP  22           HA       ASP  22 -15.216   5.571  -9.182
  164    HB2  ASP  22           HB2      ASP  22 -13.447   4.081  -8.462
  165    HB3  ASP  22           HB1      ASP  22 -13.949   4.262  -6.780
  166    H    GLY  23           HN       GLY  23 -15.032   6.082  -5.722
  167    HA2  GLY  23           HA2      GLY  23 -17.068   7.041  -4.671
  168    HA3  GLY  23           HA1      GLY  23 -17.969   5.842  -5.605
  169    H    THR  24           HN       THR  24 -16.455   3.630  -5.408
  170    HA   THR  24           HA       THR  24 -16.618   3.074  -2.555
  171    HB   THR  24           HB       THR  24 -16.507   0.632  -3.246
  172    HG1  THR  24           HG1      THR  24 -16.233   1.786  -5.800
  173   HG21  THR  24          HG21      THR  24 -18.765   2.245  -4.442
  174   HG22  THR  24          HG22      THR  24 -18.654   1.692  -2.771
  175   HG23  THR  24          HG23      THR  24 -18.815   0.519  -4.079
  176    H    ASP  25           HN       ASP  25 -14.598   4.595  -3.486
  177    HA   ASP  25           HA       ASP  25 -12.189   2.928  -3.318
  178    HB2  ASP  25           HB2      ASP  25 -10.974   4.840  -4.312
  179    HB3  ASP  25           HB1      ASP  25 -12.315   4.358  -5.323
  180    H    LEU  26           HN       LEU  26 -10.432   4.873  -2.418
  181    HA   LEU  26           HA       LEU  26 -11.286   5.102   0.322
  182    HB2  LEU  26           HB2      LEU  26  -9.243   4.013   0.015
  183    HB3  LEU  26           HB1      LEU  26  -8.634   5.218  -1.090
  184    HG   LEU  26           HG       LEU  26  -8.702   6.779   0.841
  185   HD11  LEU  26          HD11      LEU  26  -8.665   5.772   3.085
  186   HD12  LEU  26          HD12      LEU  26  -9.063   4.209   2.372
  187   HD13  LEU  26          HD13      LEU  26 -10.210   5.544   2.269
  188   HD21  LEU  26          HD21      LEU  26  -6.663   5.880  -0.046
  189   HD22  LEU  26          HD22      LEU  26  -6.860   4.396   0.886
  190   HD23  LEU  26          HD23      LEU  26  -6.552   5.924   1.715
  191    H    SER  27           HN       SER  27  -8.935   7.162  -1.160
  192    HA   SER  27           HA       SER  27  -8.518   9.274  -1.206
  193    HB2  SER  27           HB2      SER  27 -10.395  10.887  -1.964
  194    HB3  SER  27           HB1      SER  27  -9.822   9.662  -3.095
  195    HG   SER  27           HG       SER  27 -11.669   8.474  -2.722
  196    H    GLY  28           HN       GLY  28  -7.745   9.975   0.521
  197    HA2  GLY  28           HA2      GLY  28  -8.286  11.877   2.101
  198    HA3  GLY  28           HA1      GLY  28  -9.621  10.844   2.607
  199    H    ASP  29           HN       ASP  29  -8.794  10.813   4.756
  200    HA   ASP  29           HA       ASP  29  -6.167   9.747   5.268
  201    HB2  ASP  29           HB2      ASP  29  -6.656   9.965   7.629
  202    HB3  ASP  29           HB1      ASP  29  -7.263  11.404   6.830
  203    H    PHE  30           HN       PHE  30  -5.676   7.779   6.105
  204    HA   PHE  30           HA       PHE  30  -7.721   5.653   6.143
  205    HB2  PHE  30           HB2      PHE  30  -7.056   4.585   4.063
  206    HB3  PHE  30           HB1      PHE  30  -7.078   6.289   3.769
  207    HD1  PHE  30           HD2      PHE  30  -4.884   7.621   4.071
  208    HD2  PHE  30           HD1      PHE  30  -5.098   3.415   3.514
  209    HE1  PHE  30           HE2      PHE  30  -2.549   7.605   3.354
  210    HE2  PHE  30           HE1      PHE  30  -2.759   3.397   2.793
  211    HZ   PHE  30           HZ       PHE  30  -1.482   5.493   2.711
  212    H    LEU  31           HN       LEU  31  -4.589   6.848   6.823
  213    HA   LEU  31           HA       LEU  31  -2.833   4.823   6.703
  214    HB2  LEU  31           HB2      LEU  31  -2.337   7.142   7.077
  215    HB3  LEU  31           HB1      LEU  31  -2.917   7.027   8.724
  216    HG   LEU  31           HG       LEU  31  -1.089   5.438   9.222
  217   HD11  LEU  31          HD11      LEU  31   0.768   5.228   7.638
  218   HD12  LEU  31          HD12      LEU  31  -0.144   6.153   6.445
  219   HD13  LEU  31          HD13      LEU  31  -0.724   4.571   6.965
  220   HD21  LEU  31          HD21      LEU  31  -0.247   8.099   8.091
  221   HD22  LEU  31          HD22      LEU  31   0.685   7.120   9.227
  222   HD23  LEU  31          HD23      LEU  31  -0.865   7.805   9.717
  223    H    ASP  32           HN       ASP  32  -5.100   5.218   9.386
  224    HA   ASP  32           HA       ASP  32  -3.740   2.991  10.757
  225    HB2  ASP  32           HB2      ASP  32  -4.110   4.999  12.105
  226    HB3  ASP  32           HB1      ASP  32  -5.839   4.893  11.804
  227    H    LEU  33           HN       LEU  33  -6.371   3.518   8.770
  228    HA   LEU  33           HA       LEU  33  -8.155   1.606  10.049
  229    HB2  LEU  33           HB2      LEU  33  -8.424   2.998   7.390
  230    HB3  LEU  33           HB1      LEU  33  -9.679   2.144   8.256
  231    HG   LEU  33           HG       LEU  33  -8.397   4.743   9.079
  232   HD11  LEU  33          HD11      LEU  33 -11.152   4.105   8.063
  233   HD12  LEU  33          HD12      LEU  33  -9.882   4.962   7.188
  234   HD13  LEU  33          HD13      LEU  33 -10.602   5.680   8.629
  235   HD21  LEU  33          HD21      LEU  33 -10.081   4.791  10.860
  236   HD22  LEU  33          HD22      LEU  33  -8.995   3.414  11.042
  237   HD23  LEU  33          HD23      LEU  33 -10.620   3.177  10.397
  238    H    ARG  34           HN       ARG  34  -8.531  -0.457   9.239
  239    HA   ARG  34           HA       ARG  34  -6.363  -1.507   7.684
  240    HB2  ARG  34           HB2      ARG  34  -7.479  -2.848   9.488
  241    HB3  ARG  34           HB1      ARG  34  -8.911  -2.961   8.463
  242    HG2  ARG  34           HG2      ARG  34  -7.554  -4.035   6.726
  243    HG3  ARG  34           HG1      ARG  34  -6.165  -3.976   7.798
  244    HD2  ARG  34           HD2      ARG  34  -8.709  -5.532   8.185
  245    HD3  ARG  34           HD1      ARG  34  -7.096  -6.102   7.733
  246    HE   ARG  34           HE       ARG  34  -6.646  -4.935  10.110
  247   HH11  ARG  34          HH11      ARG  34  -9.092  -7.299   9.062
  248   HH12  ARG  34          HH12      ARG  34  -9.108  -8.155  10.525
  249   HH21  ARG  34          HH21      ARG  34  -6.653  -6.124  12.129
  250   HH22  ARG  34          HH22      ARG  34  -7.727  -7.446  12.312
  251    H    PHE  35           HN       PHE  35  -6.390  -2.338   5.631
  252    HA   PHE  35           HA       PHE  35  -7.620  -0.921   3.635
  253    HB2  PHE  35           HB2      PHE  35  -6.809  -3.807   3.340
  254    HB3  PHE  35           HB1      PHE  35  -6.907  -2.593   2.072
  255    HD1  PHE  35           HD2      PHE  35  -5.296  -0.599   2.238
  256    HD2  PHE  35           HD1      PHE  35  -4.883  -4.179   4.472
  257    HE1  PHE  35           HE2      PHE  35  -2.917  -0.092   2.612
  258    HE2  PHE  35           HE1      PHE  35  -2.553  -3.708   4.865
  259    HZ   PHE  35           HZ       PHE  35  -1.527  -1.647   3.926
  260    H    GLU  36           HN       GLU  36  -8.646  -4.126   4.836
  261    HA   GLU  36           HA       GLU  36 -10.797  -4.548   3.151
  262    HB2  GLU  36           HB2      GLU  36 -11.705  -6.077   4.812
  263    HB3  GLU  36           HB1      GLU  36  -9.961  -6.256   4.724
  264    HG2  GLU  36           HG2      GLU  36  -9.686  -5.002   6.767
  265    HG3  GLU  36           HG1      GLU  36 -11.413  -4.660   6.823
  266    H    ASP  37           HN       ASP  37 -10.590  -2.421   5.890
  267    HA   ASP  37           HA       ASP  37 -13.458  -2.138   6.138
  268    HB2  ASP  37           HB2      ASP  37 -11.964  -2.322   8.125
  269    HB3  ASP  37           HB1      ASP  37 -11.242  -0.782   7.679
  270    H    ILE  38           HN       ILE  38 -10.896  -0.656   4.466
  271    HA   ILE  38           HA       ILE  38 -12.451   1.792   4.202
  272    HB   ILE  38           HB       ILE  38 -10.506   2.779   2.987
  273   HG12  ILE  38          HG12      ILE  38  -9.072   0.236   3.810
  274   HG13  ILE  38          HG11      ILE  38  -9.446   0.664   2.154
  275   HG21  ILE  38          HG21      ILE  38 -10.803   3.202   5.332
  276   HG22  ILE  38          HG22      ILE  38  -9.086   3.067   4.961
  277   HG23  ILE  38          HG23      ILE  38  -9.924   1.729   5.742
  278   HD11  ILE  38          HD11      ILE  38  -7.940   2.625   2.375
  279   HD12  ILE  38          HD12      ILE  38  -7.126   1.080   2.627
  280   HD13  ILE  38          HD13      ILE  38  -7.539   2.086   4.010
  281    H    GLY  39           HN       GLY  39 -13.099  -0.807   3.047
  282    HA2  GLY  39           HA2      GLY  39 -14.372  -1.366   1.221
  283    HA3  GLY  39           HA1      GLY  39 -13.991   0.195   0.515
  284    H    TYR  40           HN       TYR  40 -11.276  -1.647   1.519
  285    HA   TYR  40           HA       TYR  40 -10.635  -2.003  -1.280
  286    HB2  TYR  40           HB2      TYR  40  -9.052  -1.613   1.174
  287    HB3  TYR  40           HB1      TYR  40  -8.248  -2.473  -0.119
  288    HD1  TYR  40           HD2      TYR  40 -10.659   0.357  -0.077
  289    HD2  TYR  40           HD1      TYR  40  -6.823  -1.062  -1.149
  290    HE1  TYR  40           HE2      TYR  40 -10.227   2.459  -1.197
  291    HE2  TYR  40           HE1      TYR  40  -6.345   0.994  -2.267
  292    HH   TYR  40           HH       TYR  40  -7.523   2.860  -3.237
  293    H    ASP  41           HN       ASP  41 -11.028  -3.777  -2.162
  294    HA   ASP  41           HA       ASP  41 -10.933  -6.254  -0.662
  295    HB2  ASP  41           HB2      ASP  41 -11.543  -5.742  -3.587
  296    HB3  ASP  41           HB1      ASP  41 -11.598  -7.313  -2.809
  297    H    SER  42           HN       SER  42  -9.920  -8.030  -2.102
  298    HA   SER  42           HA       SER  42  -7.228  -7.982  -1.786
  299    HB2  SER  42           HB2      SER  42  -7.380 -10.008  -3.245
  300    HB3  SER  42           HB1      SER  42  -8.514  -9.963  -1.875
  301    H    LEU  43           HN       LEU  43  -9.008  -7.507  -4.866
  302    HA   LEU  43           HA       LEU  43  -6.690  -7.370  -6.497
  303    HB2  LEU  43           HB2      LEU  43  -9.064  -7.825  -7.299
  304    HB3  LEU  43           HB1      LEU  43  -9.368  -6.112  -7.148
  305    HG   LEU  43           HG       LEU  43  -7.312  -7.305  -9.046
  306   HD11  LEU  43          HD11      LEU  43  -8.937  -6.877 -10.815
  307   HD12  LEU  43          HD12      LEU  43 -10.124  -6.401  -9.601
  308   HD13  LEU  43          HD13      LEU  43  -9.522  -8.059  -9.644
  309   HD21  LEU  43          HD21      LEU  43  -8.526  -4.519  -8.966
  310   HD22  LEU  43          HD22      LEU  43  -7.406  -5.115 -10.186
  311   HD23  LEU  43          HD23      LEU  43  -6.865  -4.916  -8.530
  312    H    ALA  44           HN       ALA  44  -8.742  -4.803  -5.182
  313    HA   ALA  44           HA       ALA  44  -7.302  -2.643  -6.239
  314    HB1  ALA  44           HB1      ALA  44  -8.407  -1.279  -4.539
  315    HB2  ALA  44           HB2      ALA  44  -8.883  -2.737  -3.670
  316    HB3  ALA  44           HB3      ALA  44  -9.544  -2.410  -5.273
  317    H    LEU  45           HN       LEU  45  -6.920  -4.461  -3.269
  318    HA   LEU  45           HA       LEU  45  -4.948  -2.820  -2.130
  319    HB2  LEU  45           HB2      LEU  45  -6.419  -4.937  -1.296
  320    HB3  LEU  45           HB1      LEU  45  -4.854  -5.689  -1.520
  321    HG   LEU  45           HG       LEU  45  -5.613  -3.487   0.356
  322   HD11  LEU  45          HD11      LEU  45  -4.572  -4.943   1.966
  323   HD12  LEU  45          HD12      LEU  45  -4.416  -6.178   0.689
  324   HD13  LEU  45          HD13      LEU  45  -6.027  -5.599   1.193
  325   HD21  LEU  45          HD21      LEU  45  -3.266  -3.348   1.020
  326   HD22  LEU  45          HD22      LEU  45  -3.606  -2.768  -0.613
  327   HD23  LEU  45          HD23      LEU  45  -2.846  -4.362  -0.383
  328    H    MET  46           HN       MET  46  -4.687  -5.886  -3.960
  329    HA   MET  46           HA       MET  46  -1.890  -6.032  -3.866
  330    HB2  MET  46           HB2      MET  46  -1.992  -7.786  -5.471
  331    HB3  MET  46           HB1      MET  46  -3.455  -7.916  -4.513
  332    HG2  MET  46           HG2      MET  46  -4.348  -8.203  -6.612
  333    HG3  MET  46           HG1      MET  46  -4.414  -6.449  -6.413
  334    HE1  MET  46           HE1      MET  46  -4.750  -6.202  -9.053
  335    HE2  MET  46           HE2      MET  46  -4.641  -7.950  -9.246
  336    HE3  MET  46           HE3      MET  46  -3.649  -6.892 -10.248
  337    H    GLU  47           HN       GLU  47  -4.007  -4.358  -6.122
  338    HA   GLU  47           HA       GLU  47  -1.931  -3.808  -7.972
  339    HB2  GLU  47           HB2      GLU  47  -4.400  -3.724  -8.528
  340    HB3  GLU  47           HB1      GLU  47  -4.488  -2.213  -7.627
  341    HG2  GLU  47           HG2      GLU  47  -2.861  -1.222  -9.109
  342    HG3  GLU  47           HG1      GLU  47  -2.768  -2.711 -10.051
  343    H    THR  48           HN       THR  48  -3.068  -2.338  -5.061
  344    HA   THR  48           HA       THR  48  -1.821   0.178  -5.235
  345    HB   THR  48           HB       THR  48  -2.427  -1.590  -2.856
  346    HG1  THR  48           HG1      THR  48  -4.295  -0.906  -3.962
  347   HG21  THR  48          HG21      THR  48  -0.684   0.020  -2.287
  348   HG22  THR  48          HG22      THR  48  -2.200   0.440  -1.491
  349   HG23  THR  48          HG23      THR  48  -1.674   1.335  -2.915
  350    H    ALA  49           HN       ALA  49  -0.771  -2.905  -3.844
  351    HA   ALA  49           HA       ALA  49   1.816  -2.165  -3.093
  352    HB1  ALA  49           HB1      ALA  49   0.787  -4.284  -2.393
  353    HB2  ALA  49           HB2      ALA  49   2.345  -4.546  -3.200
  354    HB3  ALA  49           HB3      ALA  49   0.847  -4.847  -4.071
  355    H    ALA  50           HN       ALA  50   0.629  -3.734  -6.032
  356    HA   ALA  50           HA       ALA  50   3.006  -3.920  -7.443
  357    HB1  ALA  50           HB1      ALA  50   0.234  -3.542  -8.558
  358    HB2  ALA  50           HB2      ALA  50   0.938  -5.077  -8.052
  359    HB3  ALA  50           HB3      ALA  50   1.626  -4.201  -9.420
  360    H    ARG  51           HN       ARG  51   0.817  -1.228  -7.139
  361    HA   ARG  51           HA       ARG  51   1.766   0.450  -9.177
  362    HB2  ARG  51           HB2      ARG  51  -0.325   0.765  -7.819
  363    HB3  ARG  51           HB1      ARG  51   0.669   1.208  -6.449
  364    HG2  ARG  51           HG2      ARG  51  -0.154   3.214  -7.333
  365    HG3  ARG  51           HG1      ARG  51   1.523   3.124  -7.865
  366    HD2  ARG  51           HD2      ARG  51   0.069   3.865  -9.672
  367    HD3  ARG  51           HD1      ARG  51   0.793   2.299 -10.042
  368    HE   ARG  51           HE       ARG  51  -1.394   1.359  -9.203
  369   HH11  ARG  51          HH11      ARG  51  -1.235   4.567 -10.687
  370   HH12  ARG  51          HH12      ARG  51  -2.752   4.438 -11.474
  371   HH21  ARG  51          HH21      ARG  51  -3.561   1.213 -10.230
  372   HH22  ARG  51          HH22      ARG  51  -4.117   2.510 -11.150
  373    H    LEU  52           HN       LEU  52   2.554   0.398  -5.716
  374    HA   LEU  52           HA       LEU  52   4.702   2.220  -6.038
  375    HB2  LEU  52           HB2      LEU  52   3.986   0.423  -3.741
  376    HB3  LEU  52           HB1      LEU  52   5.310   1.573  -3.700
  377    HG   LEU  52           HG       LEU  52   2.407   2.287  -4.113
  378   HD11  LEU  52          HD11      LEU  52   2.848   1.502  -1.864
  379   HD12  LEU  52          HD12      LEU  52   2.542   3.246  -1.884
  380   HD13  LEU  52          HD13      LEU  52   4.195   2.636  -1.737
  381   HD21  LEU  52          HD21      LEU  52   3.170   4.597  -3.833
  382   HD22  LEU  52          HD22      LEU  52   3.917   3.836  -5.237
  383   HD23  LEU  52          HD23      LEU  52   4.841   4.035  -3.748
  384    H    GLU  53           HN       GLU  53   4.518  -1.289  -5.962
  385    HA   GLU  53           HA       GLU  53   7.230  -1.837  -5.876
  386    HB2  GLU  53           HB2      GLU  53   5.084  -3.342  -7.367
  387    HB3  GLU  53           HB1      GLU  53   6.724  -3.922  -7.150
  388    HG2  GLU  53           HG2      GLU  53   6.325  -3.835  -4.675
  389    HG3  GLU  53           HG1      GLU  53   4.648  -3.457  -5.045
  390    H    SER  54           HN       SER  54   5.149  -1.440  -8.697
  391    HA   SER  54           HA       SER  54   7.209  -1.623 -10.604
  392    HB2  SER  54           HB2      SER  54   5.518  -0.596 -12.180
  393    HB3  SER  54           HB1      SER  54   4.894  -1.966 -11.256
  394    HG   SER  54           HG       SER  54   3.729  -0.685 -10.053
  395    H    ARG  55           HN       ARG  55   5.887   1.113  -8.887
  396    HA   ARG  55           HA       ARG  55   7.124   3.133 -10.384
  397    HB2  ARG  55           HB2      ARG  55   5.203   3.559  -8.970
  398    HB3  ARG  55           HB1      ARG  55   6.126   3.150  -7.538
  399    HG2  ARG  55           HG2      ARG  55   7.495   5.116  -7.817
  400    HG3  ARG  55           HG1      ARG  55   6.688   5.492  -9.343
  401    HD2  ARG  55           HD2      ARG  55   4.602   5.868  -8.216
  402    HD3  ARG  55           HD1      ARG  55   5.262   5.278  -6.693
  403    HE   ARG  55           HE       ARG  55   6.800   7.427  -7.631
  404   HH11  ARG  55          HH11      ARG  55   3.516   6.908  -6.281
  405   HH12  ARG  55          HH12      ARG  55   3.567   8.384  -5.401
  406   HH21  ARG  55          HH21      ARG  55   6.725   9.457  -6.433
  407   HH22  ARG  55          HH22      ARG  55   5.346   9.829  -5.511
  408    H    TYR  56           HN       TYR  56   8.281   1.468  -7.424
  409    HA   TYR  56           HA       TYR  56  10.778   2.999  -7.748
  410    HB2  TYR  56           HB2      TYR  56   9.862   1.597  -5.220
  411    HB3  TYR  56           HB1      TYR  56  11.322   2.513  -5.441
  412    HD1  TYR  56           HD2      TYR  56  11.325   4.913  -5.737
  413    HD2  TYR  56           HD1      TYR  56   7.716   2.800  -4.976
  414    HE1  TYR  56           HE2      TYR  56  10.225   7.026  -5.162
  415    HE2  TYR  56           HE1      TYR  56   6.593   4.887  -4.390
  416    HH   TYR  56           HH       TYR  56   7.167   7.227  -3.645
  417    H    GLY  57           HN       GLY  57   9.654  -0.002  -8.462
  418    HA2  GLY  57           HA2      GLY  57  10.805  -1.807  -9.292
  419    HA3  GLY  57           HA1      GLY  57  12.309  -0.959  -8.957
  420    H    VAL  58           HN       VAL  58   9.739  -1.772  -6.708
  421    HA   VAL  58           HA       VAL  58  11.720  -3.290  -5.175
  422    HB   VAL  58           HB       VAL  58  10.370  -2.964  -3.151
  423   HG11  VAL  58          HG11      VAL  58  10.672  -0.554  -2.853
  424   HG12  VAL  58          HG12      VAL  58  10.903  -0.376  -4.591
  425   HG13  VAL  58          HG13      VAL  58  12.061  -1.305  -3.638
  426   HG21  VAL  58          HG21      VAL  58   8.529  -1.324  -4.894
  427   HG22  VAL  58          HG22      VAL  58   8.430  -1.456  -3.138
  428   HG23  VAL  58          HG23      VAL  58   8.147  -2.875  -4.147
  429    H    SER  59           HN       SER  59  10.455  -5.022  -3.641
  430    HA   SER  59           HA       SER  59   8.512  -6.416  -5.295
  431    HB2  SER  59           HB2      SER  59  11.016  -7.720  -4.199
  432    HB3  SER  59           HB1      SER  59   9.754  -8.498  -5.160
  433    HG   SER  59           HG       SER  59  10.258  -6.846  -6.752
  434    H    ILE  60           HN       ILE  60   6.868  -6.795  -4.049
  435    HA   ILE  60           HA       ILE  60   7.227  -7.238  -1.171
  436    HB   ILE  60           HB       ILE  60   4.733  -6.577  -2.770
  437   HG12  ILE  60          HG12      ILE  60   6.333  -4.865  -0.856
  438   HG13  ILE  60          HG11      ILE  60   6.341  -4.714  -2.609
  439   HG21  ILE  60          HG21      ILE  60   3.627  -6.266  -0.596
  440   HG22  ILE  60          HG22      ILE  60   5.089  -6.818   0.224
  441   HG23  ILE  60          HG23      ILE  60   4.187  -7.927  -0.808
  442   HD11  ILE  60          HD11      ILE  60   3.970  -4.298  -0.810
  443   HD12  ILE  60          HD12      ILE  60   3.982  -4.132  -2.568
  444   HD13  ILE  60          HD13      ILE  60   4.944  -3.038  -1.571
  445    HA   PRO  61           HA       PRO  61   6.386 -11.613  -1.963
  446    HB2  PRO  61           HB2      PRO  61   5.695 -11.439   0.944
  447    HB3  PRO  61           HB1      PRO  61   6.765 -12.581   0.111
  448    HG2  PRO  61           HG2      PRO  61   7.799 -10.643   1.586
  449    HG3  PRO  61           HG1      PRO  61   8.532 -11.058   0.026
  450    HD2  PRO  61           HD2      PRO  61   6.750  -8.765   0.727
  451    HD3  PRO  61           HD1      PRO  61   8.189  -8.790  -0.312
  452    H    ASP  62           HN       ASP  62   4.479 -12.378  -2.695
  453    HA   ASP  62           HA       ASP  62   2.085 -10.948  -2.488
  454    HB2  ASP  62           HB2      ASP  62   0.944 -12.760  -3.616
  455    HB3  ASP  62           HB1      ASP  62   2.513 -12.512  -4.358
  456    H    ASP  63           HN       ASP  63   3.343 -13.462  -0.460
  457    HA   ASP  63           HA       ASP  63   0.876 -14.010   0.895
  458    HB2  ASP  63           HB2      ASP  63   3.697 -14.350   1.940
  459    HB3  ASP  63           HB1      ASP  63   2.249 -14.986   2.691
  460    H    VAL  64           HN       VAL  64   3.418 -11.691   1.206
  461    HA   VAL  64           HA       VAL  64   2.618 -10.843   3.814
  462    HB   VAL  64           HB       VAL  64   4.573  -9.547   1.880
  463   HG11  VAL  64          HG11      VAL  64   5.369  -8.269   3.812
  464   HG12  VAL  64          HG12      VAL  64   4.100  -8.981   4.810
  465   HG13  VAL  64          HG13      VAL  64   3.674  -7.911   3.477
  466   HG21  VAL  64          HG21      VAL  64   5.013 -11.268   4.308
  467   HG22  VAL  64          HG22      VAL  64   6.277 -10.492   3.352
  468   HG23  VAL  64          HG23      VAL  64   5.269 -11.747   2.630
  469    H    ALA  65           HN       ALA  65   2.022  -9.847   0.518
  470    HA   ALA  65           HA       ALA  65   0.782  -7.394   1.119
  471    HB1  ALA  65           HB1      ALA  65   0.209  -9.253  -1.212
  472    HB2  ALA  65           HB2      ALA  65   1.390  -7.943  -1.186
  473    HB3  ALA  65           HB3      ALA  65  -0.327  -7.581  -1.096
  474    H    GLY  66           HN       GLY  66  -0.325 -10.646   1.492
  475    HA2  GLY  66           HA2      GLY  66  -3.051  -9.755   2.095
  476    HA3  GLY  66           HA1      GLY  66  -2.496 -11.425   2.019
  477    H    ARG  67           HN       ARG  67  -0.151 -10.040   3.678
  478    HA   ARG  67           HA       ARG  67  -1.363 -10.714   6.252
  479    HB2  ARG  67           HB2      ARG  67   1.509 -10.794   5.320
  480    HB3  ARG  67           HB1      ARG  67   1.090 -10.858   7.035
  481    HG2  ARG  67           HG2      ARG  67  -0.210 -12.862   6.660
  482    HG3  ARG  67           HG1      ARG  67   0.090 -12.758   4.929
  483    HD2  ARG  67           HD2      ARG  67   2.502 -13.064   5.361
  484    HD3  ARG  67           HD1      ARG  67   2.153 -13.224   7.084
  485    HE   ARG  67           HE       ARG  67   0.623 -15.112   6.258
  486   HH11  ARG  67          HH11      ARG  67   3.924 -14.426   5.089
  487   HH12  ARG  67          HH12      ARG  67   4.150 -15.966   4.406
  488   HH21  ARG  67          HH21      ARG  67   1.012 -17.282   5.360
  489   HH22  ARG  67          HH22      ARG  67   2.471 -17.617   4.571
  490    H    VAL  68           HN       VAL  68  -0.335  -8.079   4.480
  491    HA   VAL  68           HA       VAL  68   0.177  -6.400   6.757
  492    HB   VAL  68           HB       VAL  68   0.182  -4.522   5.057
  493   HG11  VAL  68          HG11      VAL  68   1.983  -6.855   4.456
  494   HG12  VAL  68          HG12      VAL  68   2.243  -5.622   5.689
  495   HG13  VAL  68          HG13      VAL  68   2.272  -5.183   3.981
  496   HG21  VAL  68          HG21      VAL  68   0.224  -5.089   2.679
  497   HG22  VAL  68          HG22      VAL  68  -1.329  -5.507   3.404
  498   HG23  VAL  68          HG23      VAL  68  -0.146  -6.769   3.064
  499    H    ASP  69           HN       ASP  69  -1.360  -5.771   7.984
  500    HA   ASP  69           HA       ASP  69  -4.057  -5.661   6.855
  501    HB2  ASP  69           HB2      ASP  69  -3.233  -5.694   9.760
  502    HB3  ASP  69           HB1      ASP  69  -4.892  -5.557   9.196
  503    H    THR  70           HN       THR  70  -1.814  -3.652   8.662
  504    HA   THR  70           HA       THR  70  -3.682  -1.470   8.182
  505    HB   THR  70           HB       THR  70  -2.149  -0.154   9.731
  506    HG1  THR  70           HG1      THR  70  -1.284  -2.744  10.540
  507   HG21  THR  70          HG21      THR  70  -3.621  -2.546  10.839
  508   HG22  THR  70          HG22      THR  70  -4.323  -0.975  10.454
  509   HG23  THR  70          HG23      THR  70  -3.153  -1.121  11.767
  510    HA   PRO  71           HA       PRO  71  -1.455   0.268   4.823
  511    HB2  PRO  71           HB2      PRO  71  -1.968   2.847   6.239
  512    HB3  PRO  71           HB1      PRO  71  -2.268   2.415   4.547
  513    HG2  PRO  71           HG2      PRO  71  -4.291   2.504   6.211
  514    HG3  PRO  71           HG1      PRO  71  -4.154   1.140   5.083
  515    HD2  PRO  71           HD2      PRO  71  -3.493   1.264   7.996
  516    HD3  PRO  71           HD1      PRO  71  -4.325  -0.020   7.100
  517    H    ARG  72           HN       ARG  72  -0.767   1.881   7.921
  518    HA   ARG  72           HA       ARG  72   1.812   2.736   7.403
  519    HB2  ARG  72           HB2      ARG  72   0.816   3.539   9.334
  520    HB3  ARG  72           HB1      ARG  72   0.410   1.999   9.998
  521    HG2  ARG  72           HG2      ARG  72   2.835   1.631  10.421
  522    HG3  ARG  72           HG1      ARG  72   3.117   3.284   9.856
  523    HD2  ARG  72           HD2      ARG  72   1.279   2.500  12.118
  524    HD3  ARG  72           HD1      ARG  72   2.896   3.188  12.305
  525    HE   ARG  72           HE       ARG  72   1.857   4.995  10.800
  526   HH11  ARG  72          HH11      ARG  72   0.123   3.387  13.473
  527   HH12  ARG  72          HH12      ARG  72  -0.727   4.756  13.967
  528   HH21  ARG  72          HH21      ARG  72   0.790   6.952  11.593
  529   HH22  ARG  72          HH22      ARG  72  -0.312   6.897  12.868
  530    H    GLU  73           HN       GLU  73   0.776  -0.460   8.428
  531    HA   GLU  73           HA       GLU  73   3.338  -1.582   8.779
  532    HB2  GLU  73           HB2      GLU  73   1.401  -2.585   9.768
  533    HB3  GLU  73           HB1      GLU  73   0.635  -2.771   8.203
  534    HG2  GLU  73           HG2      GLU  73   2.207  -4.470   7.589
  535    HG3  GLU  73           HG1      GLU  73   3.116  -4.212   9.083
  536    H    LEU  74           HN       LEU  74   1.122  -1.493   6.026
  537    HA   LEU  74           HA       LEU  74   2.761  -3.006   4.266
  538    HB2  LEU  74           HB2      LEU  74   0.310  -2.726   3.980
  539    HB3  LEU  74           HB1      LEU  74   0.527  -1.028   3.678
  540    HG   LEU  74           HG       LEU  74  -0.033  -2.564   1.703
  541   HD11  LEU  74          HD11      LEU  74   2.409  -0.794   1.467
  542   HD12  LEU  74          HD12      LEU  74   0.728  -0.267   1.358
  543   HD13  LEU  74          HD13      LEU  74   1.398  -1.336   0.127
  544   HD21  LEU  74          HD21      LEU  74   1.871  -3.665   0.600
  545   HD22  LEU  74          HD22      LEU  74   1.528  -4.361   2.184
  546   HD23  LEU  74          HD23      LEU  74   2.890  -3.261   1.982
  547    H    LEU  75           HN       LEU  75   2.443   0.400   4.947
  548    HA   LEU  75           HA       LEU  75   4.121   1.546   3.053
  549    HB2  LEU  75           HB2      LEU  75   2.702   2.800   4.612
  550    HB3  LEU  75           HB1      LEU  75   3.718   2.307   5.945
  551    HG   LEU  75           HG       LEU  75   5.587   3.594   4.973
  552   HD11  LEU  75          HD11      LEU  75   4.947   3.482   2.644
  553   HD12  LEU  75          HD12      LEU  75   5.117   5.166   3.152
  554   HD13  LEU  75          HD13      LEU  75   3.513   4.448   2.976
  555   HD21  LEU  75          HD21      LEU  75   3.039   5.155   5.386
  556   HD22  LEU  75          HD22      LEU  75   4.677   5.810   5.478
  557   HD23  LEU  75          HD23      LEU  75   4.139   4.609   6.652
  558    H    ASP  76           HN       ASP  76   4.904   0.398   6.323
  559    HA   ASP  76           HA       ASP  76   7.660   0.881   6.251
  560    HB2  ASP  76           HB2      ASP  76   6.513   0.416   8.338
  561    HB3  ASP  76           HB1      ASP  76   6.153  -1.221   7.808
  562    H    LEU  77           HN       LEU  77   5.797  -1.794   5.077
  563    HA   LEU  77           HA       LEU  77   7.888  -3.663   4.746
  564    HB2  LEU  77           HB2      LEU  77   5.330  -4.037   4.653
  565    HB3  LEU  77           HB1      LEU  77   5.415  -3.446   3.014
  566    HG   LEU  77           HG       LEU  77   5.250  -5.901   3.159
  567   HD11  LEU  77          HD11      LEU  77   7.875  -4.996   2.005
  568   HD12  LEU  77          HD12      LEU  77   6.314  -4.985   1.188
  569   HD13  LEU  77          HD13      LEU  77   7.057  -6.519   1.647
  570   HD21  LEU  77          HD21      LEU  77   7.147  -7.220   3.965
  571   HD22  LEU  77          HD22      LEU  77   6.410  -6.251   5.241
  572   HD23  LEU  77          HD23      LEU  77   7.931  -5.737   4.512
  573    H    ILE  78           HN       ILE  78   6.509  -1.192   2.602
  574    HA   ILE  78           HA       ILE  78   8.323  -1.872   0.495
  575    HB   ILE  78           HB       ILE  78   6.604   0.628   0.716
  576   HG12  ILE  78          HG12      ILE  78   6.090  -2.058  -0.580
  577   HG13  ILE  78          HG11      ILE  78   5.244  -1.373   0.799
  578   HG21  ILE  78          HG21      ILE  78   6.904   0.766  -1.726
  579   HG22  ILE  78          HG22      ILE  78   7.956  -0.649  -1.682
  580   HG23  ILE  78          HG23      ILE  78   8.460   0.846  -0.898
  581   HD11  ILE  78          HD11      ILE  78   4.359   0.398  -0.662
  582   HD12  ILE  78          HD12      ILE  78   3.903  -1.227  -1.189
  583   HD13  ILE  78          HD13      ILE  78   5.184  -0.363  -2.029
  584    H    ASN  79           HN       ASN  79   8.227   0.459   3.070
  585    HA   ASN  79           HA       ASN  79  10.452   1.966   2.222
  586    HB2  ASN  79           HB2      ASN  79   9.254   1.591   4.969
  587    HB3  ASN  79           HB1      ASN  79  10.662   2.616   4.692
  588   HD21  ASN  79          HD21      ASN  79   8.057   3.467   5.644
  589   HD22  ASN  79          HD22      ASN  79   7.464   4.577   4.463
  590    H    GLY  80           HN       GLY  80  10.215  -0.982   4.050
  591    HA2  GLY  80           HA2      GLY  80  12.992  -1.189   4.622
  592    HA3  GLY  80           HA1      GLY  80  11.821  -2.506   4.658
  593    H    ALA  81           HN       ALA  81  10.981  -2.031   1.920
  594    HA   ALA  81           HA       ALA  81  12.916  -3.639   0.561
  595    HB1  ALA  81           HB1      ALA  81  11.397  -3.480  -1.362
  596    HB2  ALA  81           HB2      ALA  81  10.476  -2.222  -0.536
  597    HB3  ALA  81           HB3      ALA  81  10.507  -3.857   0.113
  598    H    LEU  82           HN       LEU  82  11.959  -0.258   0.460
  599    HA   LEU  82           HA       LEU  82  13.374   0.681  -1.738
  600    HB2  LEU  82           HB2      LEU  82  12.792   2.086   0.859
  601    HB3  LEU  82           HB1      LEU  82  13.402   2.882  -0.570
  602    HG   LEU  82           HG       LEU  82  10.717   1.524  -0.323
  603   HD11  LEU  82          HD11      LEU  82  11.477   4.436  -0.464
  604   HD12  LEU  82          HD12      LEU  82  10.870   3.587   0.955
  605   HD13  LEU  82          HD13      LEU  82   9.834   3.797  -0.458
  606   HD21  LEU  82          HD21      LEU  82  10.260   2.518  -2.510
  607   HD22  LEU  82          HD22      LEU  82  11.614   1.388  -2.592
  608   HD23  LEU  82          HD23      LEU  82  11.914   3.126  -2.581
  609    H    ALA  83           HN       ALA  83  14.562  -0.309   1.301
  610    HA   ALA  83           HA       ALA  83  16.906   1.181   1.538
  611    HB1  ALA  83           HB1      ALA  83  16.352  -1.614   2.494
  612    HB2  ALA  83           HB2      ALA  83  15.926  -0.124   3.338
  613    HB3  ALA  83           HB3      ALA  83  17.620  -0.539   3.083
  614    H    GLU  84           HN       GLU  84  16.213  -1.704  -0.343
  615    HA   GLU  84           HA       GLU  84  18.988  -1.599  -1.307
  616    HB2  GLU  84           HB2      GLU  84  17.407  -4.066  -0.632
  617    HB3  GLU  84           HB1      GLU  84  18.929  -4.089  -1.514
  618    HG2  GLU  84           HG2      GLU  84  20.110  -3.204   0.358
  619    HG3  GLU  84           HG1      GLU  84  18.606  -2.900   1.226
  620    H    ALA  85           HN       ALA  85  15.628  -2.275  -2.089
  621    HA   ALA  85           HA       ALA  85  16.165  -3.028  -4.772
  622    HB1  ALA  85           HB1      ALA  85  14.141  -3.735  -3.595
  623    HB2  ALA  85           HB2      ALA  85  13.762  -2.892  -5.095
  624    HB3  ALA  85           HB3      ALA  85  13.586  -2.063  -3.548
  625    H    ALA  86           HN       ALA  86  15.371   0.050  -3.215
  626    HA   ALA  86           HA       ALA  86  15.637   1.359  -5.804
  627    HB1  ALA  86           HB1      ALA  86  14.707   2.462  -3.141
  628    HB2  ALA  86           HB2      ALA  86  13.659   1.971  -4.470
  629    HB3  ALA  86           HB3      ALA  86  14.742   3.349  -4.664
  630   H281  PSR  87          H28A      PSR  87  -7.663 -10.908  -6.628
  631   H282  PSR  87          H28B      PSR  87  -7.262  -9.831  -5.291
  632   H301  PSR  87          H30A      PSR  87  -4.009 -10.985  -6.326
  633   H302  PSR  87          H30B      PSR  87  -4.989  -9.635  -5.770
  634   H303  PSR  87          H30C      PSR  87  -5.389 -10.437  -7.301
  635   H311  PSR  87          H31A      PSR  87  -6.093 -12.033  -3.457
  636   H312  PSR  87          H31B      PSR  87  -5.372 -10.445  -3.720
  637   H313  PSR  87          H31C      PSR  87  -4.426 -11.896  -4.022
  638   H321  PSR  87          H32A      PSR  87  -4.835 -13.325  -6.118
  639   H331  PSR  87          H33A      PSR  87  -7.162 -13.310  -7.492
  640   H361  PSR  87          H36A      PSR  87  -5.531 -14.008  -3.914
  641   H371  PSR  87          H37A      PSR  87  -8.180 -15.082  -3.449
  642   H372  PSR  87          H37B      PSR  87  -6.912 -16.293  -3.662
  643   H381  PSR  87          H38A      PSR  87  -7.262 -15.768  -1.279
  644   H382  PSR  87          H38B      PSR  87  -5.645 -15.316  -1.810
  645   H411  PSR  87          H41A      PSR  87  -5.323 -13.820  -0.240
  646   H421  PSR  87          H42A      PSR  87  -6.978 -11.416  -0.372
  647   H422  PSR  87          H42B      PSR  87  -6.126 -11.922   1.112
  648   H431  PSR  87          H43A      PSR  87  -4.789 -11.363  -1.524
  649   H432  PSR  87          H43B      PSR  87  -4.003 -11.361   0.076
  650   HC21  PSR  87          H2A       PSR  87  -3.036 -10.878  -1.309
  651   HC22  PSR  87          H2B       PSR  87  -1.820  -9.646  -1.050
  652   HC31  PSR  87          H3A       PSR  87  -1.925  -9.001  -3.401
  653   HC32  PSR  87          H3B       PSR  87  -3.203 -10.200  -3.675
  654   HC41  PSR  87          H4C       PSR  87  -1.656 -11.971  -3.013
  655   HC42  PSR  87          H4A       PSR  87  -0.394 -10.769  -2.749
  656   HC43  PSR  87          H4B       PSR  87  -1.021 -11.042  -4.374
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  20.529   9.375   1.131
    2    H2   MET   1           HT2      MET   1  20.517  11.054   1.364
    3    H3   MET   1           HT3      MET   1  20.363  10.392  -0.178
    4    HA   MET   1           HA       MET   1  18.394   9.937   1.962
    5    HB2  MET   1           HB2      MET   1  18.311  11.776  -0.428
    6    HB3  MET   1           HB1      MET   1  16.887  11.286   0.467
    7    HG2  MET   1           HG2      MET   1  17.800  12.347   2.467
    8    HG3  MET   1           HG1      MET   1  19.206  12.865   1.535
    9    HE1  MET   1           HE1      MET   1  17.234  14.828   3.205
   10    HE2  MET   1           HE2      MET   1  17.147  16.183   2.078
   11    HE3  MET   1           HE3      MET   1  18.684  15.364   2.356
   12    H    ALA   2           HN       ALA   2  16.616   8.761   1.305
   13    HA   ALA   2           HA       ALA   2  16.712   7.533  -1.334
   14    HB1  ALA   2           HB1      ALA   2  15.885   5.461  -0.305
   15    HB2  ALA   2           HB2      ALA   2  16.013   6.200   1.286
   16    HB3  ALA   2           HB3      ALA   2  17.473   5.892   0.337
   17    H    THR   3           HN       THR   3  14.789   7.602  -2.308
   18    HA   THR   3           HA       THR   3  12.749   9.211  -1.189
   19    HB   THR   3           HB       THR   3  13.144   9.352  -3.526
   20    HG1  THR   3           HG1      THR   3  10.708   8.928  -2.706
   21   HG21  THR   3          HG21      THR   3  12.626   6.390  -3.740
   22   HG22  THR   3          HG22      THR   3  14.178   7.204  -3.953
   23   HG23  THR   3          HG23      THR   3  12.872   7.478  -5.107
   24    H    LEU   4           HN       LEU   4  11.615   8.462   0.441
   25    HA   LEU   4           HA       LEU   4  10.709   5.679   0.448
   26    HB2  LEU   4           HB2      LEU   4  10.739   7.723   2.671
   27    HB3  LEU   4           HB1      LEU   4  10.219   6.058   2.818
   28    HG   LEU   4           HG       LEU   4  13.032   7.015   2.292
   29   HD11  LEU   4          HD11      LEU   4  13.484   6.046   4.472
   30   HD12  LEU   4          HD12      LEU   4  11.762   5.680   4.665
   31   HD13  LEU   4          HD13      LEU   4  12.307   7.356   4.569
   32   HD21  LEU   4          HD21      LEU   4  11.979   4.208   2.610
   33   HD22  LEU   4          HD22      LEU   4  13.678   4.666   2.503
   34   HD23  LEU   4          HD23      LEU   4  12.605   4.918   1.122
   35    H    LEU   5           HN       LEU   5   8.511   5.458   1.453
   36    HA   LEU   5           HA       LEU   5   6.714   7.209   0.007
   37    HB2  LEU   5           HB2      LEU   5   6.231   4.724   1.621
   38    HB3  LEU   5           HB1      LEU   5   5.011   5.613   0.749
   39    HG   LEU   5           HG       LEU   5   7.326   4.145  -0.493
   40   HD11  LEU   5          HD11      LEU   5   4.384   3.554  -0.319
   41   HD12  LEU   5          HD12      LEU   5   5.657   2.689   0.545
   42   HD13  LEU   5          HD13      LEU   5   5.565   2.601  -1.217
   43   HD21  LEU   5          HD21      LEU   5   6.688   6.001  -1.864
   44   HD22  LEU   5          HD22      LEU   5   4.981   5.634  -1.631
   45   HD23  LEU   5          HD23      LEU   5   5.995   4.525  -2.553
   46    H    THR   6           HN       THR   6   5.813   8.844   1.013
   47    HA   THR   6           HA       THR   6   5.651   8.783   3.912
   48    HB   THR   6           HB       THR   6   4.949  11.165   3.688
   49    HG1  THR   6           HG1      THR   6   5.507  10.745   0.899
   50   HG21  THR   6          HG21      THR   6   7.133  12.044   2.956
   51   HG22  THR   6          HG22      THR   6   7.517  10.484   2.236
   52   HG23  THR   6          HG23      THR   6   7.332  10.625   3.986
   53    H    THR   7           HN       THR   7   3.405  10.123   4.524
   54    HA   THR   7           HA       THR   7   1.273   8.439   4.202
   55    HB   THR   7           HB       THR   7   1.015  11.423   4.454
   56    HG1  THR   7           HG1      THR   7   1.309  10.272   6.871
   57   HG21  THR   7          HG21      THR   7  -1.055  10.094   4.459
   58   HG22  THR   7          HG22      THR   7  -0.772  10.808   6.048
   59   HG23  THR   7          HG23      THR   7  -0.420   9.103   5.772
   60    H    ASP   8           HN       ASP   8   1.983  11.477   2.479
   61    HA   ASP   8           HA       ASP   8  -0.137  11.459   0.664
   62    HB2  ASP   8           HB2      ASP   8   1.222  13.439   1.056
   63    HB3  ASP   8           HB1      ASP   8   2.619  12.650   0.337
   64    H    ASP   9           HN       ASP   9   3.116  10.011   0.316
   65    HA   ASP   9           HA       ASP   9   2.864   9.303  -2.432
   66    HB2  ASP   9           HB2      ASP   9   4.550   7.961  -0.287
   67    HB3  ASP   9           HB1      ASP   9   4.622   7.568  -1.987
   68    H    LEU  10           HN       LEU  10   2.246   7.603   0.563
   69    HA   LEU  10           HA       LEU  10   1.429   5.184  -0.617
   70    HB2  LEU  10           HB2      LEU  10   2.117   5.461   1.753
   71    HB3  LEU  10           HB1      LEU  10   0.633   6.338   2.053
   72    HG   LEU  10           HG       LEU  10  -0.641   4.299   1.414
   73   HD11  LEU  10          HD11      LEU  10   1.038   3.200   0.048
   74   HD12  LEU  10          HD12      LEU  10   0.526   2.150   1.369
   75   HD13  LEU  10          HD13      LEU  10   2.075   2.990   1.459
   76   HD21  LEU  10          HD21      LEU  10  -0.212   3.107   3.502
   77   HD22  LEU  10          HD22      LEU  10  -0.243   4.855   3.745
   78   HD23  LEU  10          HD23      LEU  10   1.299   3.998   3.694
   79    H    ARG  11           HN       ARG  11  -0.363   7.988   0.621
   80    HA   ARG  11           HA       ARG  11  -2.949   7.075   0.329
   81    HB2  ARG  11           HB2      ARG  11  -2.172   9.265   1.369
   82    HB3  ARG  11           HB1      ARG  11  -2.197   9.922  -0.267
   83    HG2  ARG  11           HG2      ARG  11  -4.646   8.726  -0.094
   84    HG3  ARG  11           HG1      ARG  11  -4.385   9.307   1.554
   85    HD2  ARG  11           HD2      ARG  11  -4.295  10.925  -0.992
   86    HD3  ARG  11           HD1      ARG  11  -5.542  10.982   0.247
   87    HE   ARG  11           HE       ARG  11  -3.686  11.809   1.747
   88   HH11  ARG  11          HH11      ARG  11  -3.615  12.292  -1.761
   89   HH12  ARG  11          HH12      ARG  11  -2.777  13.769  -1.677
   90   HH21  ARG  11          HH21      ARG  11  -2.604  13.858   1.875
   91   HH22  ARG  11          HH22      ARG  11  -2.147  14.682   0.460
   92    H    ARG  12           HN       ARG  12  -1.033   8.895  -2.040
   93    HA   ARG  12           HA       ARG  12  -3.030   8.900  -4.003
   94    HB2  ARG  12           HB2      ARG  12  -1.290   9.512  -5.614
   95    HB3  ARG  12           HB1      ARG  12  -1.219  10.473  -4.148
   96    HG2  ARG  12           HG2      ARG  12   0.659   9.070  -3.376
   97    HG3  ARG  12           HG1      ARG  12   0.604   8.211  -4.921
   98    HD2  ARG  12           HD2      ARG  12   2.301   9.954  -4.962
   99    HD3  ARG  12           HD1      ARG  12   0.999  10.315  -6.095
  100    HE   ARG  12           HE       ARG  12   1.344  11.607  -3.461
  101   HH11  ARG  12          HH11      ARG  12   0.055  11.690  -6.764
  102   HH12  ARG  12          HH12      ARG  12  -0.340  13.337  -6.716
  103   HH21  ARG  12          HH21      ARG  12   0.803  13.759  -3.374
  104   HH22  ARG  12          HH22      ARG  12   0.100  14.598  -4.714
  105    H    ALA  13           HN       ALA  13  -0.641   6.462  -3.250
  106    HA   ALA  13           HA       ALA  13  -1.049   4.902  -5.588
  107    HB1  ALA  13           HB1      ALA  13  -0.101   4.046  -2.858
  108    HB2  ALA  13           HB2      ALA  13   0.922   4.635  -4.170
  109    HB3  ALA  13           HB3      ALA  13   0.049   3.113  -4.346
  110    H    LEU  14           HN       LEU  14  -2.427   4.889  -2.354
  111    HA   LEU  14           HA       LEU  14  -4.207   2.721  -2.692
  112    HB2  LEU  14           HB2      LEU  14  -4.194   5.128  -0.882
  113    HB3  LEU  14           HB1      LEU  14  -5.598   4.102  -0.942
  114    HG   LEU  14           HG       LEU  14  -4.195   3.660   1.009
  115   HD11  LEU  14          HD11      LEU  14  -4.006   1.260   0.829
  116   HD12  LEU  14          HD12      LEU  14  -4.226   1.378  -0.920
  117   HD13  LEU  14          HD13      LEU  14  -5.524   1.866   0.169
  118   HD21  LEU  14          HD21      LEU  14  -2.017   4.191   0.117
  119   HD22  LEU  14          HD22      LEU  14  -2.099   2.791  -0.951
  120   HD23  LEU  14          HD23      LEU  14  -2.040   2.567   0.801
  121    H    VAL  15           HN       VAL  15  -4.785   6.220  -2.877
  122    HA   VAL  15           HA       VAL  15  -7.371   5.996  -3.860
  123    HB   VAL  15           HB       VAL  15  -5.471   8.380  -3.799
  124   HG11  VAL  15          HG11      VAL  15  -7.338   9.825  -4.416
  125   HG12  VAL  15          HG12      VAL  15  -8.370   8.418  -4.674
  126   HG13  VAL  15          HG13      VAL  15  -6.992   8.709  -5.736
  127   HG21  VAL  15          HG21      VAL  15  -6.334   7.584  -1.709
  128   HG22  VAL  15          HG22      VAL  15  -7.984   7.703  -2.321
  129   HG23  VAL  15          HG23      VAL  15  -7.009   9.161  -2.115
  130    H    GLU  16           HN       GLU  16  -4.482   5.557  -5.547
  131    HA   GLU  16           HA       GLU  16  -5.406   6.033  -8.206
  132    HB2  GLU  16           HB2      GLU  16  -3.006   5.836  -7.533
  133    HB3  GLU  16           HB1      GLU  16  -3.269   4.134  -7.205
  134    HG2  GLU  16           HG2      GLU  16  -2.169   4.439  -9.324
  135    HG3  GLU  16           HG1      GLU  16  -3.783   3.766  -9.561
  136    H    SER  17           HN       SER  17  -4.946   3.088  -6.268
  137    HA   SER  17           HA       SER  17  -6.374   1.407  -8.065
  138    HB2  SER  17           HB2      SER  17  -6.047  -0.282  -6.170
  139    HB3  SER  17           HB1      SER  17  -4.601   0.491  -6.790
  140    HG   SER  17           HG       SER  17  -5.605   2.023  -4.816
  141    H    ALA  18           HN       ALA  18  -7.324   3.589  -5.700
  142    HA   ALA  18           HA       ALA  18  -9.864   2.361  -5.086
  143    HB1  ALA  18           HB1      ALA  18 -10.294   4.375  -3.793
  144    HB2  ALA  18           HB2      ALA  18  -8.854   5.132  -4.465
  145    HB3  ALA  18           HB3      ALA  18  -8.698   3.731  -3.400
  146    H    GLY  19           HN       GLY  19  -8.710   3.597  -7.784
  147    HA2  GLY  19           HA2      GLY  19 -10.943   5.267  -8.545
  148    HA3  GLY  19           HA1      GLY  19  -9.608   4.746  -9.579
  149    H    GLU  20           HN       GLU  20 -11.465   2.583  -7.603
  150    HA   GLU  20           HA       GLU  20 -13.026   1.611  -9.819
  151    HB2  GLU  20           HB2      GLU  20 -10.813   0.379  -9.795
  152    HB3  GLU  20           HB1      GLU  20 -11.248  -0.221  -8.202
  153    HG2  GLU  20           HG2      GLU  20 -11.734  -1.891  -9.857
  154    HG3  GLU  20           HG1      GLU  20 -13.250  -1.273  -9.194
  155    H    THR  21           HN       THR  21 -14.796   2.233  -8.738
  156    HA   THR  21           HA       THR  21 -16.640   1.923  -7.547
  157    HB   THR  21           HB       THR  21 -15.339  -0.413  -6.105
  158    HG1  THR  21           HG1      THR  21 -15.631  -1.544  -7.815
  159   HG21  THR  21          HG21      THR  21 -17.666  -1.223  -5.940
  160   HG22  THR  21          HG22      THR  21 -18.233   0.222  -6.776
  161   HG23  THR  21          HG23      THR  21 -17.505   0.360  -5.177
  162    H    ASP  22           HN       ASP  22 -15.315   3.965  -6.803
  163    HA   ASP  22           HA       ASP  22 -16.148   4.302  -4.085
  164    HB2  ASP  22           HB2      ASP  22 -13.679   3.623  -3.864
  165    HB3  ASP  22           HB1      ASP  22 -13.278   5.058  -4.803
  166    H    GLY  23           HN       GLY  23 -16.396   6.624  -3.682
  167    HA2  GLY  23           HA2      GLY  23 -16.925   8.044  -6.109
  168    HA3  GLY  23           HA1      GLY  23 -17.128   8.645  -4.463
  169    H    THR  24           HN       THR  24 -15.445   9.625  -3.435
  170    HA   THR  24           HA       THR  24 -12.912   9.946  -4.818
  171    HB   THR  24           HB       THR  24 -13.160  12.499  -4.204
  172    HG1  THR  24           HG1      THR  24 -15.190  12.378  -3.240
  173   HG21  THR  24          HG21      THR  24 -14.011  13.000  -6.466
  174   HG22  THR  24          HG22      THR  24 -14.552  11.330  -6.626
  175   HG23  THR  24          HG23      THR  24 -12.830  11.689  -6.501
  176    H    ASP  25           HN       ASP  25 -13.387   8.457  -2.497
  177    HA   ASP  25           HA       ASP  25 -12.466  10.278  -0.418
  178    HB2  ASP  25           HB2      ASP  25 -14.231   7.833  -0.173
  179    HB3  ASP  25           HB1      ASP  25 -13.408   8.478   1.241
  180    H    LEU  26           HN       LEU  26 -11.701   7.702   1.316
  181    HA   LEU  26           HA       LEU  26  -9.785   6.879   1.922
  182    HB2  LEU  26           HB2      LEU  26 -10.156   5.869  -0.568
  183    HB3  LEU  26           HB1      LEU  26  -8.743   6.845  -0.911
  184    HG   LEU  26           HG       LEU  26  -8.854   4.698   1.186
  185   HD11  LEU  26          HD11      LEU  26  -9.196   3.739  -1.017
  186   HD12  LEU  26          HD12      LEU  26  -7.592   3.325  -0.413
  187   HD13  LEU  26          HD13      LEU  26  -7.778   4.591  -1.627
  188   HD21  LEU  26          HD21      LEU  26  -7.120   6.350   1.569
  189   HD22  LEU  26          HD22      LEU  26  -6.533   6.134  -0.081
  190   HD23  LEU  26          HD23      LEU  26  -6.413   4.810   1.082
  191    H    SER  27           HN       SER  27 -10.211   9.275   2.203
  192    HA   SER  27           HA       SER  27  -8.676  11.237   0.769
  193    HB2  SER  27           HB2      SER  27  -9.955  12.658   2.506
  194    HB3  SER  27           HB1      SER  27 -10.848  11.840   1.215
  195    HG   SER  27           HG       SER  27 -10.785  11.311   3.960
  196    H    GLY  28           HN       GLY  28  -6.871   9.638   2.049
  197    HA2  GLY  28           HA2      GLY  28  -4.888  10.158   3.255
  198    HA3  GLY  28           HA1      GLY  28  -5.711  11.562   3.916
  199    H    ASP  29           HN       ASP  29  -7.996  10.230   4.974
  200    HA   ASP  29           HA       ASP  29  -6.760   8.961   7.250
  201    HB2  ASP  29           HB2      ASP  29  -8.616  10.477   7.736
  202    HB3  ASP  29           HB1      ASP  29  -9.690   9.521   6.713
  203    H    PHE  30           HN       PHE  30  -6.064   7.115   6.786
  204    HA   PHE  30           HA       PHE  30  -7.842   4.914   6.264
  205    HB2  PHE  30           HB2      PHE  30  -7.149   4.285   3.998
  206    HB3  PHE  30           HB1      PHE  30  -7.485   5.978   3.991
  207    HD1  PHE  30           HD2      PHE  30  -5.791   7.662   3.823
  208    HD2  PHE  30           HD1      PHE  30  -4.773   3.554   3.687
  209    HE1  PHE  30           HE2      PHE  30  -3.563   8.254   2.998
  210    HE2  PHE  30           HE1      PHE  30  -2.530   4.137   2.859
  211    HZ   PHE  30           HZ       PHE  30  -1.925   6.512   2.522
  212    H    LEU  31           HN       LEU  31  -4.706   6.277   6.685
  213    HA   LEU  31           HA       LEU  31  -2.945   4.230   6.406
  214    HB2  LEU  31           HB2      LEU  31  -2.349   6.531   6.572
  215    HB3  LEU  31           HB1      LEU  31  -2.814   6.582   8.265
  216    HG   LEU  31           HG       LEU  31  -0.977   4.925   8.722
  217   HD11  LEU  31          HD11      LEU  31  -0.230   5.537   5.873
  218   HD12  LEU  31          HD12      LEU  31  -0.787   3.986   6.498
  219   HD13  LEU  31          HD13      LEU  31   0.757   4.647   7.032
  220   HD21  LEU  31          HD21      LEU  31   0.823   6.571   8.556
  221   HD22  LEU  31          HD22      LEU  31  -0.673   7.307   9.131
  222   HD23  LEU  31          HD23      LEU  31  -0.161   7.537   7.457
  223    H    ASP  32           HN       ASP  32  -4.857   4.893   9.304
  224    HA   ASP  32           HA       ASP  32  -3.387   2.707  10.640
  225    HB2  ASP  32           HB2      ASP  32  -5.070   4.869  11.911
  226    HB3  ASP  32           HB1      ASP  32  -4.144   3.640  12.759
  227    H    LEU  33           HN       LEU  33  -5.996   3.097   8.899
  228    HA   LEU  33           HA       LEU  33  -7.911   1.707  10.589
  229    HB2  LEU  33           HB2      LEU  33  -8.500   3.706   9.216
  230    HB3  LEU  33           HB1      LEU  33  -8.137   2.782   7.778
  231    HG   LEU  33           HG       LEU  33 -10.004   1.275   8.270
  232   HD11  LEU  33          HD11      LEU  33  -9.953   1.451  10.700
  233   HD12  LEU  33          HD12      LEU  33 -11.560   1.834  10.073
  234   HD13  LEU  33          HD13      LEU  33 -10.482   3.129  10.598
  235   HD21  LEU  33          HD21      LEU  33 -11.789   2.885   7.854
  236   HD22  LEU  33          HD22      LEU  33 -10.357   3.252   6.892
  237   HD23  LEU  33          HD23      LEU  33 -10.717   4.200   8.336
  238    H    ARG  34           HN       ARG  34  -8.929  -0.287   9.712
  239    HA   ARG  34           HA       ARG  34  -7.039  -2.051   8.468
  240    HB2  ARG  34           HB2      ARG  34  -9.917  -2.332   9.336
  241    HB3  ARG  34           HB1      ARG  34  -9.122  -3.593   8.411
  242    HG2  ARG  34           HG2      ARG  34  -7.988  -2.554  10.985
  243    HG3  ARG  34           HG1      ARG  34  -9.176  -3.863  10.931
  244    HD2  ARG  34           HD2      ARG  34  -6.701  -3.860   9.308
  245    HD3  ARG  34           HD1      ARG  34  -6.685  -4.560  10.953
  246    HE   ARG  34           HE       ARG  34  -8.752  -5.574   9.212
  247   HH11  ARG  34          HH11      ARG  34  -5.411  -6.205  10.298
  248   HH12  ARG  34          HH12      ARG  34  -5.363  -7.735   9.552
  249   HH21  ARG  34          HH21      ARG  34  -8.633  -7.664   8.313
  250   HH22  ARG  34          HH22      ARG  34  -7.211  -8.612   8.460
  251    H    PHE  35           HN       PHE  35  -6.973  -2.755   6.367
  252    HA   PHE  35           HA       PHE  35  -7.957  -1.247   4.250
  253    HB2  PHE  35           HB2      PHE  35  -7.216  -4.181   4.297
  254    HB3  PHE  35           HB1      PHE  35  -7.576  -3.293   2.828
  255    HD1  PHE  35           HD2      PHE  35  -6.061  -1.376   2.197
  256    HD2  PHE  35           HD1      PHE  35  -5.105  -4.171   5.251
  257    HE1  PHE  35           HE2      PHE  35  -3.715  -0.688   2.081
  258    HE2  PHE  35           HE1      PHE  35  -2.744  -3.486   5.149
  259    HZ   PHE  35           HZ       PHE  35  -2.019  -1.881   3.396
  260    H    GLU  36           HN       GLU  36  -9.285  -4.004   5.880
  261    HA   GLU  36           HA       GLU  36 -11.489  -4.579   4.331
  262    HB2  GLU  36           HB2      GLU  36 -11.261  -4.664   7.330
  263    HB3  GLU  36           HB1      GLU  36 -12.544  -5.422   6.400
  264    HG2  GLU  36           HG2      GLU  36 -10.826  -6.790   5.253
  265    HG3  GLU  36           HG1      GLU  36  -9.618  -6.093   6.335
  266    H    ASP  37           HN       ASP  37 -11.087  -1.903   6.631
  267    HA   ASP  37           HA       ASP  37 -13.933  -1.318   6.462
  268    HB2  ASP  37           HB2      ASP  37 -12.647  -0.960   8.603
  269    HB3  ASP  37           HB1      ASP  37 -11.828   0.387   7.819
  270    H    ILE  38           HN       ILE  38 -11.119  -0.445   4.771
  271    HA   ILE  38           HA       ILE  38 -12.474   1.891   3.652
  272    HB   ILE  38           HB       ILE  38 -10.383   2.398   2.395
  273   HG12  ILE  38          HG12      ILE  38  -9.163   0.145   4.024
  274   HG13  ILE  38          HG11      ILE  38  -9.431   0.090   2.290
  275   HG21  ILE  38          HG21      ILE  38 -10.060   2.181   5.373
  276   HG22  ILE  38          HG22      ILE  38 -10.807   3.504   4.479
  277   HG23  ILE  38          HG23      ILE  38  -9.081   3.186   4.306
  278   HD11  ILE  38          HD11      ILE  38  -7.112   0.537   2.786
  279   HD12  ILE  38          HD12      ILE  38  -7.558   1.936   3.761
  280   HD13  ILE  38          HD13      ILE  38  -7.838   1.953   2.021
  281    H    GLY  39           HN       GLY  39 -13.002  -1.027   3.187
  282    HA2  GLY  39           HA2      GLY  39 -13.995  -2.207   1.474
  283    HA3  GLY  39           HA1      GLY  39 -13.931  -0.738   0.519
  284    H    TYR  40           HN       TYR  40 -11.116  -2.363   1.878
  285    HA   TYR  40           HA       TYR  40 -10.185  -2.643  -0.838
  286    HB2  TYR  40           HB2      TYR  40  -8.751  -2.170   1.703
  287    HB3  TYR  40           HB1      TYR  40  -8.014  -3.307   0.618
  288    HD1  TYR  40           HD2      TYR  40  -9.986  -0.258  -0.189
  289    HD2  TYR  40           HD1      TYR  40  -6.274  -2.291  -0.323
  290    HE1  TYR  40           HE2      TYR  40  -9.082   1.493  -1.649
  291    HE2  TYR  40           HE1      TYR  40  -5.369  -0.568  -1.781
  292    HH   TYR  40           HH       TYR  40  -6.078   1.056  -3.244
  293    H    ASP  41           HN       ASP  41 -10.742  -4.346  -1.766
  294    HA   ASP  41           HA       ASP  41 -10.511  -6.915  -0.436
  295    HB2  ASP  41           HB2      ASP  41 -11.421  -6.162  -3.240
  296    HB3  ASP  41           HB1      ASP  41 -11.245  -7.821  -2.697
  297    H    SER  42           HN       SER  42  -9.490  -8.575  -2.137
  298    HA   SER  42           HA       SER  42  -6.786  -8.397  -2.014
  299    HB2  SER  42           HB2      SER  42  -6.830 -10.178  -3.734
  300    HB3  SER  42           HB1      SER  42  -8.035 -10.429  -2.459
  301    H    LEU  43           HN       LEU  43  -8.783  -7.659  -4.820
  302    HA   LEU  43           HA       LEU  43  -6.852  -6.973  -6.675
  303    HB2  LEU  43           HB2      LEU  43  -9.039  -7.334  -7.445
  304    HB3  LEU  43           HB1      LEU  43  -9.711  -6.117  -6.385
  305    HG   LEU  43           HG       LEU  43  -8.702  -4.346  -7.742
  306   HD11  LEU  43          HD11      LEU  43  -7.702  -6.563  -9.524
  307   HD12  LEU  43          HD12      LEU  43  -6.726  -5.450  -8.548
  308   HD13  LEU  43          HD13      LEU  43  -7.662  -4.836  -9.895
  309   HD21  LEU  43          HD21      LEU  43 -10.946  -5.095  -8.275
  310   HD22  LEU  43          HD22      LEU  43 -10.295  -6.337  -9.341
  311   HD23  LEU  43          HD23      LEU  43 -10.082  -4.634  -9.744
  312    H    ALA  44           HN       ALA  44  -8.710  -4.676  -4.689
  313    HA   ALA  44           HA       ALA  44  -7.395  -2.417  -5.626
  314    HB1  ALA  44           HB1      ALA  44  -8.689  -2.793  -2.933
  315    HB2  ALA  44           HB2      ALA  44  -9.519  -2.338  -4.423
  316    HB3  ALA  44           HB3      ALA  44  -8.327  -1.252  -3.708
  317    H    LEU  45           HN       LEU  45  -6.698  -4.412  -2.778
  318    HA   LEU  45           HA       LEU  45  -4.659  -2.728  -1.787
  319    HB2  LEU  45           HB2      LEU  45  -5.944  -4.629  -0.587
  320    HB3  LEU  45           HB1      LEU  45  -4.773  -5.707  -1.312
  321    HG   LEU  45           HG       LEU  45  -4.119  -3.477   0.638
  322   HD11  LEU  45          HD11      LEU  45  -4.252  -6.440   1.050
  323   HD12  LEU  45          HD12      LEU  45  -5.332  -5.215   1.748
  324   HD13  LEU  45          HD13      LEU  45  -3.611  -5.245   2.176
  325   HD21  LEU  45          HD21      LEU  45  -2.267  -3.959  -0.832
  326   HD22  LEU  45          HD22      LEU  45  -2.392  -5.680  -0.441
  327   HD23  LEU  45          HD23      LEU  45  -1.937  -4.508   0.817
  328    H    MET  46           HN       MET  46  -4.560  -5.581  -3.894
  329    HA   MET  46           HA       MET  46  -1.725  -5.637  -3.996
  330    HB2  MET  46           HB2      MET  46  -1.901  -7.361  -5.609
  331    HB3  MET  46           HB1      MET  46  -3.263  -7.590  -4.538
  332    HG2  MET  46           HG2      MET  46  -4.282  -7.901  -6.579
  333    HG3  MET  46           HG1      MET  46  -4.495  -6.158  -6.325
  334    HE1  MET  46           HE1      MET  46  -4.669  -7.730  -9.191
  335    HE2  MET  46           HE2      MET  46  -3.891  -6.533 -10.229
  336    HE3  MET  46           HE3      MET  46  -5.031  -6.018  -8.984
  337    H    GLU  47           HN       GLU  47  -4.178  -4.006  -5.881
  338    HA   GLU  47           HA       GLU  47  -2.459  -3.277  -7.991
  339    HB2  GLU  47           HB2      GLU  47  -4.942  -3.375  -8.186
  340    HB3  GLU  47           HB1      GLU  47  -5.065  -1.989  -7.118
  341    HG2  GLU  47           HG2      GLU  47  -4.035  -0.579  -8.716
  342    HG3  GLU  47           HG1      GLU  47  -3.649  -1.937  -9.773
  343    H    THR  48           HN       THR  48  -3.275  -1.835  -4.901
  344    HA   THR  48           HA       THR  48  -1.927   0.629  -5.140
  345    HB   THR  48           HB       THR  48  -2.130  -1.193  -2.719
  346    HG1  THR  48           HG1      THR  48  -4.046   0.315  -4.005
  347   HG21  THR  48          HG21      THR  48  -0.512   0.592  -2.416
  348   HG22  THR  48          HG22      THR  48  -1.936   0.883  -1.418
  349   HG23  THR  48          HG23      THR  48  -1.708   1.787  -2.914
  350    H    ALA  49           HN       ALA  49  -0.879  -2.470  -3.735
  351    HA   ALA  49           HA       ALA  49   1.750  -1.821  -3.141
  352    HB1  ALA  49           HB1      ALA  49   0.635  -3.847  -2.285
  353    HB2  ALA  49           HB2      ALA  49   2.175  -4.218  -3.073
  354    HB3  ALA  49           HB3      ALA  49   0.665  -4.526  -3.915
  355    H    ALA  50           HN       ALA  50   0.450  -3.428  -6.003
  356    HA   ALA  50           HA       ALA  50   2.763  -3.980  -7.376
  357    HB1  ALA  50           HB1      ALA  50   1.403  -4.058  -9.374
  358    HB2  ALA  50           HB2      ALA  50   0.125  -3.151  -8.562
  359    HB3  ALA  50           HB3      ALA  50   0.541  -4.775  -8.013
  360    H    ARG  51           HN       ARG  51   0.912  -0.969  -7.388
  361    HA   ARG  51           HA       ARG  51   2.442   0.228  -9.447
  362    HB2  ARG  51           HB2      ARG  51   0.126   0.997  -8.736
  363    HB3  ARG  51           HB1      ARG  51   0.879   1.636  -7.300
  364    HG2  ARG  51           HG2      ARG  51   1.907   3.355  -8.348
  365    HG3  ARG  51           HG1      ARG  51   2.020   2.501  -9.887
  366    HD2  ARG  51           HD2      ARG  51  -0.495   3.633  -8.675
  367    HD3  ARG  51           HD1      ARG  51   0.422   4.350 -10.005
  368    HE   ARG  51           HE       ARG  51  -1.067   1.806 -10.104
  369   HH11  ARG  51          HH11      ARG  51   0.477   4.497 -11.844
  370   HH12  ARG  51          HH12      ARG  51  -0.035   3.961 -13.369
  371   HH21  ARG  51          HH21      ARG  51  -1.820   1.143 -12.173
  372   HH22  ARG  51          HH22      ARG  51  -1.416   2.043 -13.557
  373    H    LEU  52           HN       LEU  52   2.632   0.320  -5.955
  374    HA   LEU  52           HA       LEU  52   4.782   2.156  -5.851
  375    HB2  LEU  52           HB2      LEU  52   3.810   0.142  -3.830
  376    HB3  LEU  52           HB1      LEU  52   5.021   1.373  -3.504
  377    HG   LEU  52           HG       LEU  52   2.187   1.960  -4.357
  378   HD11  LEU  52          HD11      LEU  52   2.222   0.958  -2.145
  379   HD12  LEU  52          HD12      LEU  52   1.831   2.676  -2.053
  380   HD13  LEU  52          HD13      LEU  52   3.451   2.112  -1.631
  381   HD21  LEU  52          HD21      LEU  52   3.776   3.686  -5.006
  382   HD22  LEU  52          HD22      LEU  52   4.397   3.754  -3.356
  383   HD23  LEU  52          HD23      LEU  52   2.738   4.252  -3.697
  384    H    GLU  53           HN       GLU  53   4.609  -1.362  -5.888
  385    HA   GLU  53           HA       GLU  53   7.316  -1.976  -5.605
  386    HB2  GLU  53           HB2      GLU  53   5.280  -3.331  -7.351
  387    HB3  GLU  53           HB1      GLU  53   6.849  -3.982  -6.936
  388    HG2  GLU  53           HG2      GLU  53   6.132  -3.995  -4.556
  389    HG3  GLU  53           HG1      GLU  53   4.541  -3.476  -5.115
  390    H    SER  54           HN       SER  54   5.397  -1.444  -8.479
  391    HA   SER  54           HA       SER  54   7.454  -1.793 -10.353
  392    HB2  SER  54           HB2      SER  54   4.960  -1.879 -10.767
  393    HB3  SER  54           HB1      SER  54   4.955  -0.123 -10.720
  394    HG   SER  54           HG       SER  54   5.300  -1.595 -12.743
  395    H    ARG  55           HN       ARG  55   6.317   1.073  -8.647
  396    HA   ARG  55           HA       ARG  55   7.702   2.998 -10.157
  397    HB2  ARG  55           HB2      ARG  55   5.889   3.660  -8.680
  398    HB3  ARG  55           HB1      ARG  55   6.786   3.103  -7.275
  399    HG2  ARG  55           HG2      ARG  55   8.431   4.853  -7.584
  400    HG3  ARG  55           HG1      ARG  55   7.643   5.363  -9.076
  401    HD2  ARG  55           HD2      ARG  55   6.422   5.453  -6.315
  402    HD3  ARG  55           HD1      ARG  55   7.089   6.833  -7.187
  403    HE   ARG  55           HE       ARG  55   5.014   5.378  -8.573
  404   HH11  ARG  55          HH11      ARG  55   5.651   8.148  -6.395
  405   HH12  ARG  55          HH12      ARG  55   4.247   8.968  -6.875
  406   HH21  ARG  55          HH21      ARG  55   3.158   6.478  -9.153
  407   HH22  ARG  55          HH22      ARG  55   2.744   8.000  -8.465
  408    H    TYR  56           HN       TYR  56   8.688   1.269  -7.214
  409    HA   TYR  56           HA       TYR  56  11.242   2.692  -7.392
  410    HB2  TYR  56           HB2      TYR  56  10.077   1.087  -5.144
  411    HB3  TYR  56           HB1      TYR  56  11.652   1.864  -5.090
  412    HD1  TYR  56           HD2      TYR  56  11.790   4.334  -5.269
  413    HD2  TYR  56           HD1      TYR  56   8.107   2.302  -4.735
  414    HE1  TYR  56           HE2      TYR  56  10.774   6.399  -4.509
  415    HE2  TYR  56           HE1      TYR  56   7.060   4.387  -3.975
  416    HH   TYR  56           HH       TYR  56   8.390   7.347  -4.484
  417    H    GLY  57           HN       GLY  57   9.979  -0.312  -8.186
  418    HA2  GLY  57           HA2      GLY  57  11.108  -2.012  -9.274
  419    HA3  GLY  57           HA1      GLY  57  12.633  -1.261  -8.821
  420    H    VAL  58           HN       VAL  58   9.928  -2.305  -6.790
  421    HA   VAL  58           HA       VAL  58  11.836  -4.054  -5.433
  422    HB   VAL  58           HB       VAL  58  10.543  -3.920  -3.363
  423   HG11  VAL  58          HG11      VAL  58  12.274  -2.275  -3.648
  424   HG12  VAL  58          HG12      VAL  58  10.921  -1.590  -2.747
  425   HG13  VAL  58          HG13      VAL  58  11.144  -1.184  -4.447
  426   HG21  VAL  58          HG21      VAL  58   8.303  -3.631  -4.244
  427   HG22  VAL  58          HG22      VAL  58   8.713  -2.021  -4.829
  428   HG23  VAL  58          HG23      VAL  58   8.668  -2.343  -3.096
  429    H    SER  59           HN       SER  59  10.501  -5.865  -4.119
  430    HA   SER  59           HA       SER  59   8.452  -6.968  -5.881
  431    HB2  SER  59           HB2      SER  59  10.856  -8.494  -4.825
  432    HB3  SER  59           HB1      SER  59   9.562  -9.149  -5.829
  433    HG   SER  59           HG       SER  59  10.267  -7.949  -7.543
  434    H    ILE  60           HN       ILE  60   6.772  -6.955  -4.485
  435    HA   ILE  60           HA       ILE  60   7.203  -7.708  -1.684
  436    HB   ILE  60           HB       ILE  60   4.725  -6.622  -3.065
  437   HG12  ILE  60          HG12      ILE  60   6.561  -5.261  -1.087
  438   HG13  ILE  60          HG11      ILE  60   6.581  -4.976  -2.828
  439   HG21  ILE  60          HG21      ILE  60   3.780  -6.358  -0.807
  440   HG22  ILE  60          HG22      ILE  60   5.201  -7.149  -0.128
  441   HG23  ILE  60          HG23      ILE  60   4.114  -8.050  -1.185
  442   HD11  ILE  60          HD11      ILE  60   4.309  -4.423  -0.937
  443   HD12  ILE  60          HD12      ILE  60   4.276  -4.163  -2.682
  444   HD13  ILE  60          HD13      ILE  60   5.379  -3.230  -1.675
  445    HA   PRO  61           HA       PRO  61   5.901 -11.893  -2.764
  446    HB2  PRO  61           HB2      PRO  61   5.619 -11.897   0.213
  447    HB3  PRO  61           HB1      PRO  61   6.416 -13.076  -0.844
  448    HG2  PRO  61           HG2      PRO  61   7.882 -11.404   0.568
  449    HG3  PRO  61           HG1      PRO  61   8.304 -11.725  -1.127
  450    HD2  PRO  61           HD2      PRO  61   6.908  -9.355   0.056
  451    HD3  PRO  61           HD1      PRO  61   8.163  -9.412  -1.201
  452    H    ASP  62           HN       ASP  62   3.935 -12.719  -3.046
  453    HA   ASP  62           HA       ASP  62   1.530 -11.330  -2.649
  454    HB2  ASP  62           HB2      ASP  62   2.029 -14.286  -3.073
  455    HB3  ASP  62           HB1      ASP  62   0.426 -13.580  -3.040
  456    H    ASP  63           HN       ASP  63   3.240 -13.584  -0.710
  457    HA   ASP  63           HA       ASP  63   1.253 -14.148   1.230
  458    HB2  ASP  63           HB2      ASP  63   4.236 -14.406   1.222
  459    HB3  ASP  63           HB1      ASP  63   3.329 -14.653   2.705
  460    H    VAL  64           HN       VAL  64   3.379 -11.455   0.788
  461    HA   VAL  64           HA       VAL  64   3.187 -10.640   3.537
  462    HB   VAL  64           HB       VAL  64   4.393  -9.206   1.141
  463   HG11  VAL  64          HG11      VAL  64   5.324  -7.607   2.756
  464   HG12  VAL  64          HG12      VAL  64   4.437  -8.404   4.057
  465   HG13  VAL  64          HG13      VAL  64   3.562  -7.564   2.776
  466   HG21  VAL  64          HG21      VAL  64   5.631 -10.546   3.541
  467   HG22  VAL  64          HG22      VAL  64   6.508  -9.695   2.267
  468   HG23  VAL  64          HG23      VAL  64   5.619 -11.170   1.892
  469    H    ALA  65           HN       ALA  65   1.734  -9.708   0.459
  470    HA   ALA  65           HA       ALA  65   0.253  -7.530   1.507
  471    HB1  ALA  65           HB1      ALA  65  -1.134  -7.667  -0.496
  472    HB2  ALA  65           HB2      ALA  65  -0.461  -9.247  -0.892
  473    HB3  ALA  65           HB3      ALA  65   0.565  -7.806  -0.916
  474    H    GLY  66           HN       GLY  66  -0.193 -10.928   1.701
  475    HA2  GLY  66           HA2      GLY  66  -2.857 -10.582   2.882
  476    HA3  GLY  66           HA1      GLY  66  -2.140 -12.112   2.383
  477    H    ARG  67           HN       ARG  67  -0.014 -10.043   4.017
  478    HA   ARG  67           HA       ARG  67  -0.424 -11.451   6.569
  479    HB2  ARG  67           HB2      ARG  67   1.511 -12.358   5.459
  480    HB3  ARG  67           HB1      ARG  67   2.180 -10.792   5.115
  481    HG2  ARG  67           HG2      ARG  67   2.586 -10.479   7.528
  482    HG3  ARG  67           HG1      ARG  67   1.897 -12.079   7.830
  483    HD2  ARG  67           HD2      ARG  67   3.619 -13.126   6.525
  484    HD3  ARG  67           HD1      ARG  67   4.253 -11.560   6.028
  485    HE   ARG  67           HE       ARG  67   4.559 -11.304   8.586
  486   HH11  ARG  67          HH11      ARG  67   5.012 -14.282   6.772
  487   HH12  ARG  67          HH12      ARG  67   6.365 -14.833   7.649
  488   HH21  ARG  67          HH21      ARG  67   6.435 -12.064   9.875
  489   HH22  ARG  67          HH22      ARG  67   7.161 -13.546   9.473
  490    H    VAL  68           HN       VAL  68  -0.644  -8.596   5.043
  491    HA   VAL  68           HA       VAL  68   0.467  -6.881   7.095
  492    HB   VAL  68           HB       VAL  68  -0.468  -4.979   5.768
  493   HG11  VAL  68          HG11      VAL  68   1.773  -5.756   5.315
  494   HG12  VAL  68          HG12      VAL  68   0.985  -5.211   3.835
  495   HG13  VAL  68          HG13      VAL  68   1.146  -6.936   4.166
  496   HG21  VAL  68          HG21      VAL  68  -1.442  -5.403   3.566
  497   HG22  VAL  68          HG22      VAL  68  -2.434  -6.109   4.843
  498   HG23  VAL  68          HG23      VAL  68  -1.384  -7.140   3.871
  499    H    ASP  69           HN       ASP  69  -1.276  -4.914   7.427
  500    HA   ASP  69           HA       ASP  69  -3.709  -6.108   8.569
  501    HB2  ASP  69           HB2      ASP  69  -2.046  -6.245  10.387
  502    HB3  ASP  69           HB1      ASP  69  -1.669  -4.544  10.193
  503    H    THR  70           HN       THR  70  -1.888  -3.095   8.841
  504    HA   THR  70           HA       THR  70  -4.173  -1.595   7.843
  505    HB   THR  70           HB       THR  70  -2.906   0.254   9.081
  506    HG1  THR  70           HG1      THR  70  -1.744  -1.476  10.833
  507   HG21  THR  70          HG21      THR  70  -3.964  -2.079  10.666
  508   HG22  THR  70          HG22      THR  70  -4.957  -0.802   9.957
  509   HG23  THR  70          HG23      THR  70  -3.824  -0.425  11.262
  510    HA   PRO  71           HA       PRO  71  -1.762  -0.155   4.364
  511    HB2  PRO  71           HB2      PRO  71  -2.207   2.597   5.449
  512    HB3  PRO  71           HB1      PRO  71  -2.438   1.982   3.805
  513    HG2  PRO  71           HG2      PRO  71  -4.537   2.340   5.340
  514    HG3  PRO  71           HG1      PRO  71  -4.412   0.867   4.357
  515    HD2  PRO  71           HD2      PRO  71  -3.934   1.238   7.285
  516    HD3  PRO  71           HD1      PRO  71  -4.728  -0.102   6.431
  517    H    ARG  72           HN       ARG  72  -1.007   1.493   7.502
  518    HA   ARG  72           HA       ARG  72   1.490   2.358   6.851
  519    HB2  ARG  72           HB2      ARG  72   1.982   2.260   9.242
  520    HB3  ARG  72           HB1      ARG  72   0.490   3.093   8.861
  521    HG2  ARG  72           HG2      ARG  72  -0.817   1.342   9.717
  522    HG3  ARG  72           HG1      ARG  72   0.550   0.226   9.734
  523    HD2  ARG  72           HD2      ARG  72  -0.061   1.069  11.973
  524    HD3  ARG  72           HD1      ARG  72   1.597   1.434  11.509
  525    HE   ARG  72           HE       ARG  72  -0.612   3.404  11.416
  526   HH11  ARG  72          HH11      ARG  72   2.832   2.656  11.970
  527   HH12  ARG  72          HH12      ARG  72   3.176   4.175  12.629
  528   HH21  ARG  72          HH21      ARG  72  -0.120   5.422  12.217
  529   HH22  ARG  72          HH22      ARG  72   1.456   5.834  12.767
  530    H    GLU  73           HN       GLU  73   0.536  -0.907   7.793
  531    HA   GLU  73           HA       GLU  73   3.150  -1.925   8.210
  532    HB2  GLU  73           HB2      GLU  73   1.132  -3.089   9.002
  533    HB3  GLU  73           HB1      GLU  73   0.615  -3.339   7.342
  534    HG2  GLU  73           HG2      GLU  73   1.534  -5.377   8.198
  535    HG3  GLU  73           HG1      GLU  73   2.609  -4.732   6.963
  536    H    LEU  74           HN       LEU  74   1.016  -1.830   5.435
  537    HA   LEU  74           HA       LEU  74   2.698  -3.260   3.651
  538    HB2  LEU  74           HB2      LEU  74   0.177  -2.902   3.498
  539    HB3  LEU  74           HB1      LEU  74   0.490  -1.263   3.007
  540    HG   LEU  74           HG       LEU  74  -0.195  -2.871   1.208
  541   HD11  LEU  74          HD11      LEU  74   1.419  -2.051  -0.468
  542   HD12  LEU  74          HD12      LEU  74   2.482  -1.519   0.834
  543   HD13  LEU  74          HD13      LEU  74   0.902  -0.766   0.624
  544   HD21  LEU  74          HD21      LEU  74   1.519  -4.369   0.280
  545   HD22  LEU  74          HD22      LEU  74   1.057  -4.812   1.925
  546   HD23  LEU  74          HD23      LEU  74   2.578  -3.971   1.633
  547    H    LEU  75           HN       LEU  75   2.142   0.120   4.333
  548    HA   LEU  75           HA       LEU  75   3.852   1.469   2.609
  549    HB2  LEU  75           HB2      LEU  75   2.268   2.556   4.072
  550    HB3  LEU  75           HB1      LEU  75   3.108   1.963   5.486
  551    HG   LEU  75           HG       LEU  75   5.047   3.422   4.854
  552   HD11  LEU  75          HD11      LEU  75   4.584   3.623   2.498
  553   HD12  LEU  75          HD12      LEU  75   4.652   5.209   3.269
  554   HD13  LEU  75          HD13      LEU  75   3.094   4.494   2.852
  555   HD21  LEU  75          HD21      LEU  75   2.402   4.803   5.282
  556   HD22  LEU  75          HD22      LEU  75   3.992   5.495   5.595
  557   HD23  LEU  75          HD23      LEU  75   3.431   4.117   6.540
  558    H    ASP  76           HN       ASP  76   4.473   0.225   5.857
  559    HA   ASP  76           HA       ASP  76   7.159   1.051   6.002
  560    HB2  ASP  76           HB2      ASP  76   5.736   0.662   7.972
  561    HB3  ASP  76           HB1      ASP  76   5.758  -1.063   7.630
  562    H    LEU  77           HN       LEU  77   5.663  -1.921   4.986
  563    HA   LEU  77           HA       LEU  77   7.976  -3.519   4.846
  564    HB2  LEU  77           HB2      LEU  77   5.589  -4.316   4.653
  565    HB3  LEU  77           HB1      LEU  77   5.524  -3.622   3.057
  566    HG   LEU  77           HG       LEU  77   5.759  -6.104   3.091
  567   HD11  LEU  77          HD11      LEU  77   7.500  -6.332   1.414
  568   HD12  LEU  77          HD12      LEU  77   8.060  -4.697   1.773
  569   HD13  LEU  77          HD13      LEU  77   6.453  -4.949   1.099
  570   HD21  LEU  77          HD21      LEU  77   7.913  -7.107   3.665
  571   HD22  LEU  77          HD22      LEU  77   7.149  -6.340   5.056
  572   HD23  LEU  77          HD23      LEU  77   8.488  -5.538   4.232
  573    H    ILE  78           HN       ILE  78   6.481  -1.292   2.548
  574    HA   ILE  78           HA       ILE  78   8.340  -1.847   0.481
  575    HB   ILE  78           HB       ILE  78   6.492   0.545   0.801
  576   HG12  ILE  78          HG12      ILE  78   6.201  -2.051  -0.712
  577   HG13  ILE  78          HG11      ILE  78   5.330  -1.604   0.748
  578   HG21  ILE  78          HG21      ILE  78   7.965  -0.484  -1.652
  579   HG22  ILE  78          HG22      ILE  78   8.355   0.987  -0.768
  580   HG23  ILE  78          HG23      ILE  78   6.823   0.861  -1.627
  581   HD11  ILE  78          HD11      ILE  78   5.105  -0.273  -1.938
  582   HD12  ILE  78          HD12      ILE  78   4.214   0.193  -0.484
  583   HD13  ILE  78          HD13      ILE  78   3.949  -1.389  -1.224
  584    H    ASN  79           HN       ASN  79   8.015   0.665   2.928
  585    HA   ASN  79           HA       ASN  79  10.272   2.146   2.146
  586    HB2  ASN  79           HB2      ASN  79   8.892   1.914   4.806
  587    HB3  ASN  79           HB1      ASN  79  10.337   2.895   4.609
  588   HD21  ASN  79          HD21      ASN  79   7.766   3.803   5.358
  589   HD22  ASN  79          HD22      ASN  79   7.200   4.898   4.134
  590    H    GLY  80           HN       GLY  80  10.041  -0.753   4.042
  591    HA2  GLY  80           HA2      GLY  80  12.764  -0.728   4.922
  592    HA3  GLY  80           HA1      GLY  80  11.696  -2.127   4.900
  593    H    ALA  81           HN       ALA  81  11.028  -2.029   2.186
  594    HA   ALA  81           HA       ALA  81  13.228  -3.399   1.012
  595    HB1  ALA  81           HB1      ALA  81  10.888  -4.002   0.553
  596    HB2  ALA  81           HB2      ALA  81  11.747  -3.608  -0.937
  597    HB3  ALA  81           HB3      ALA  81  10.638  -2.439  -0.223
  598    H    LEU  82           HN       LEU  82  12.127  -0.171   1.039
  599    HA   LEU  82           HA       LEU  82  13.506   0.747  -1.258
  600    HB2  LEU  82           HB2      LEU  82  12.380   2.293   1.067
  601    HB3  LEU  82           HB1      LEU  82  13.046   3.027  -0.375
  602    HG   LEU  82           HG       LEU  82  10.602   1.283  -0.203
  603   HD11  LEU  82          HD11      LEU  82  10.213   3.530   0.573
  604   HD12  LEU  82          HD12      LEU  82   9.417   3.257  -0.976
  605   HD13  LEU  82          HD13      LEU  82  10.919   4.182  -0.906
  606   HD21  LEU  82          HD21      LEU  82  11.902   2.506  -2.619
  607   HD22  LEU  82          HD22      LEU  82  10.336   1.697  -2.590
  608   HD23  LEU  82          HD23      LEU  82  11.806   0.789  -2.232
  609    H    ALA  83           HN       ALA  83  14.612  -0.095   1.804
  610    HA   ALA  83           HA       ALA  83  16.941   1.514   1.852
  611    HB1  ALA  83           HB1      ALA  83  16.244   0.191   3.804
  612    HB2  ALA  83           HB2      ALA  83  17.882  -0.239   3.314
  613    HB3  ALA  83           HB3      ALA  83  16.534  -1.299   2.905
  614    H    GLU  84           HN       GLU  84  16.072  -1.521   0.379
  615    HA   GLU  84           HA       GLU  84  18.609  -2.147  -0.793
  616    HB2  GLU  84           HB2      GLU  84  15.862  -3.091  -1.583
  617    HB3  GLU  84           HB1      GLU  84  17.392  -3.891  -1.895
  618    HG2  GLU  84           HG2      GLU  84  17.639  -4.464   0.408
  619    HG3  GLU  84           HG1      GLU  84  16.245  -3.475   0.856
  620    H    ALA  85           HN       ALA  85  15.482  -1.048  -1.965
  621    HA   ALA  85           HA       ALA  85  16.573  -0.376  -4.585
  622    HB1  ALA  85           HB1      ALA  85  14.261  -0.394  -5.331
  623    HB2  ALA  85           HB2      ALA  85  13.699  -0.512  -3.662
  624    HB3  ALA  85           HB3      ALA  85  14.584  -1.846  -4.387
  625    H    ALA  86           HN       ALA  86  14.130   1.485  -4.874
  626    HA   ALA  86           HA       ALA  86  13.500   3.579  -4.656
  627    HB1  ALA  86           HB1      ALA  86  13.768   3.447  -2.186
  628    HB2  ALA  86           HB2      ALA  86  14.163   5.046  -2.818
  629    HB3  ALA  86           HB3      ALA  86  15.454   3.934  -2.365
  630   H281  PSR  87          H28A      PSR  87  -6.853 -10.429  -7.125
  631   H282  PSR  87          H28B      PSR  87  -6.346  -9.838  -5.542
  632   H301  PSR  87          H30A      PSR  87  -4.047  -9.679  -6.289
  633   H302  PSR  87          H30B      PSR  87  -4.602 -10.184  -7.890
  634   H303  PSR  87          H30C      PSR  87  -3.253 -11.024  -7.103
  635   H311  PSR  87          H31A      PSR  87  -4.438 -10.906  -4.343
  636   H312  PSR  87          H31B      PSR  87  -3.655 -12.334  -5.017
  637   H313  PSR  87          H31C      PSR  87  -5.295 -12.449  -4.379
  638   H321  PSR  87          H32A      PSR  87  -4.341 -13.211  -7.410
  639   H331  PSR  87          H33A      PSR  87  -6.704 -13.037  -8.447
  640   H361  PSR  87          H36A      PSR  87  -4.845 -14.269  -5.230
  641   H371  PSR  87          H37A      PSR  87  -7.516 -15.358  -4.822
  642   H372  PSR  87          H37B      PSR  87  -6.215 -16.486  -5.196
  643   H381  PSR  87          H38A      PSR  87  -6.449 -16.354  -2.818
  644   H382  PSR  87          H38B      PSR  87  -4.916 -15.593  -3.278
  645   H411  PSR  87          H41A      PSR  87  -4.939 -14.569  -1.276
  646   H421  PSR  87          H42A      PSR  87  -5.985 -11.924  -1.184
  647   H422  PSR  87          H42B      PSR  87  -6.876 -12.989  -0.108
  648   H431  PSR  87          H43A      PSR  87  -3.913 -12.435   0.022
  649   H432  PSR  87          H43B      PSR  87  -4.762 -13.663   0.962
  650   HC21  PSR  87          H2A       PSR  87  -3.514 -10.877  -0.286
  651   HC22  PSR  87          H2B       PSR  87  -3.339  -9.181   0.149
  652   HC31  PSR  87          H3A       PSR  87  -4.890  -8.536  -1.610
  653   HC32  PSR  87          H3B       PSR  87  -5.078 -10.242  -2.064
  654   HC41  PSR  87          H4C       PSR  87  -3.456  -9.097  -3.497
  655   HC42  PSR  87          H4A       PSR  87  -2.683 -10.360  -2.539
  656   HC43  PSR  87          H4B       PSR  87  -2.506  -8.667  -2.075
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  19.331   6.801   2.801
    2    H2   MET   1           HT2      MET   1  20.790   7.574   3.148
    3    H3   MET   1           HT3      MET   1  20.639   6.531   1.809
    4    HA   MET   1           HA       MET   1  19.118   9.036   2.058
    5    HB2  MET   1           HB2      MET   1  21.391   8.350   0.156
    6    HB3  MET   1           HB1      MET   1  20.541   9.881   0.261
    7    HG2  MET   1           HG2      MET   1  22.302   8.728   2.410
    8    HG3  MET   1           HG1      MET   1  22.803   9.931   1.230
    9    HE1  MET   1           HE1      MET   1  22.056  12.428   1.242
   10    HE2  MET   1           HE2      MET   1  20.758  13.062   2.253
   11    HE3  MET   1           HE3      MET   1  20.397  11.886   0.989
   12    H    ALA   2           HN       ALA   2  17.165   8.274   1.311
   13    HA   ALA   2           HA       ALA   2  17.147   7.051  -1.321
   14    HB1  ALA   2           HB1      ALA   2  17.369   5.158   0.198
   15    HB2  ALA   2           HB2      ALA   2  15.792   5.168  -0.594
   16    HB3  ALA   2           HB3      ALA   2  15.943   5.698   1.081
   17    H    THR   3           HN       THR   3  14.863   6.783  -2.086
   18    HA   THR   3           HA       THR   3  13.292   9.095  -1.313
   19    HB   THR   3           HB       THR   3  12.983   7.046  -3.447
   20    HG1  THR   3           HG1      THR   3  14.852   8.333  -3.764
   21   HG21  THR   3          HG21      THR   3  11.452   8.678  -4.532
   22   HG22  THR   3          HG22      THR   3  11.610   9.724  -3.121
   23   HG23  THR   3          HG23      THR   3  10.855   8.138  -2.963
   24    H    LEU   4           HN       LEU   4  12.061   8.657   0.437
   25    HA   LEU   4           HA       LEU   4  10.915   5.987   0.681
   26    HB2  LEU   4           HB2      LEU   4  11.244   8.148   2.754
   27    HB3  LEU   4           HB1      LEU   4  10.469   6.603   3.042
   28    HG   LEU   4           HG       LEU   4  13.372   7.024   2.321
   29   HD11  LEU   4          HD11      LEU   4  12.856   7.669   4.604
   30   HD12  LEU   4          HD12      LEU   4  13.810   6.185   4.563
   31   HD13  LEU   4          HD13      LEU   4  12.076   6.111   4.878
   32   HD21  LEU   4          HD21      LEU   4  11.855   4.489   2.920
   33   HD22  LEU   4          HD22      LEU   4  13.603   4.612   2.702
   34   HD23  LEU   4          HD23      LEU   4  12.519   4.959   1.355
   35    H    LEU   5           HN       LEU   5   8.761   5.758   1.373
   36    HA   LEU   5           HA       LEU   5   7.010   7.702   0.086
   37    HB2  LEU   5           HB2      LEU   5   6.360   5.020   1.300
   38    HB3  LEU   5           HB1      LEU   5   5.291   6.010   0.340
   39    HG   LEU   5           HG       LEU   5   7.763   4.606  -0.645
   40   HD11  LEU   5          HD11      LEU   5   5.944   3.094  -0.127
   41   HD12  LEU   5          HD12      LEU   5   6.168   3.226  -1.875
   42   HD13  LEU   5          HD13      LEU   5   4.835   4.070  -1.090
   43   HD21  LEU   5          HD21      LEU   5   5.696   6.190  -2.166
   44   HD22  LEU   5          HD22      LEU   5   7.063   5.294  -2.850
   45   HD23  LEU   5          HD23      LEU   5   7.353   6.700  -1.835
   46    H    THR   6           HN       THR   6   5.814   9.054   1.293
   47    HA   THR   6           HA       THR   6   5.754   8.639   4.166
   48    HB   THR   6           HB       THR   6   4.733  10.899   4.231
   49    HG1  THR   6           HG1      THR   6   5.149  10.946   1.396
   50   HG21  THR   6          HG21      THR   6   7.206  10.793   2.498
   51   HG22  THR   6          HG22      THR   6   7.182  10.739   4.261
   52   HG23  THR   6          HG23      THR   6   6.649  12.193   3.413
   53    H    THR   7           HN       THR   7   3.457   9.428   5.001
   54    HA   THR   7           HA       THR   7   1.480   7.615   4.348
   55    HB   THR   7           HB       THR   7   1.125  10.424   5.443
   56    HG1  THR   7           HG1      THR   7   2.646   8.900   6.535
   57   HG21  THR   7          HG21      THR   7  -0.996   9.360   4.765
   58   HG22  THR   7          HG22      THR   7  -0.891   9.498   6.519
   59   HG23  THR   7          HG23      THR   7  -0.595   7.943   5.737
   60    H    ASP   8           HN       ASP   8   1.913  10.984   3.287
   61    HA   ASP   8           HA       ASP   8  -0.264  11.073   1.539
   62    HB2  ASP   8           HB2      ASP   8   0.904  13.087   2.294
   63    HB3  ASP   8           HB1      ASP   8   2.296  12.646   1.304
   64    H    ASP   9           HN       ASP   9   3.031  10.005   0.932
   65    HA   ASP   9           HA       ASP   9   2.767   9.695  -1.895
   66    HB2  ASP   9           HB2      ASP   9   4.560   8.213   0.039
   67    HB3  ASP   9           HB1      ASP   9   4.612   7.982  -1.698
   68    H    LEU  10           HN       LEU  10   2.336   7.501   0.797
   69    HA   LEU  10           HA       LEU  10   1.583   5.229  -0.699
   70    HB2  LEU  10           HB2      LEU  10   2.298   5.281   1.687
   71    HB3  LEU  10           HB1      LEU  10   0.753   5.994   2.098
   72    HG   LEU  10           HG       LEU  10  -0.314   3.932   1.118
   73   HD11  LEU  10          HD11      LEU  10   2.502   2.894   1.286
   74   HD12  LEU  10          HD12      LEU  10   1.552   3.125  -0.179
   75   HD13  LEU  10          HD13      LEU  10   1.059   1.919   1.011
   76   HD21  LEU  10          HD21      LEU  10   1.442   3.672   3.540
   77   HD22  LEU  10          HD22      LEU  10   0.102   2.598   3.141
   78   HD23  LEU  10          HD23      LEU  10  -0.205   4.301   3.496
   79    H    ARG  11           HN       ARG  11  -0.159   7.879   0.753
   80    HA   ARG  11           HA       ARG  11  -2.788   7.167   0.446
   81    HB2  ARG  11           HB2      ARG  11  -1.835   9.214   1.607
   82    HB3  ARG  11           HB1      ARG  11  -1.683   9.948   0.028
   83    HG2  ARG  11           HG2      ARG  11  -4.153   9.774  -0.258
   84    HG3  ARG  11           HG1      ARG  11  -4.192   9.089   1.385
   85    HD2  ARG  11           HD2      ARG  11  -3.001  11.791   0.815
   86    HD3  ARG  11           HD1      ARG  11  -4.707  11.575   1.193
   87    HE   ARG  11           HE       ARG  11  -3.940  10.532   3.302
   88   HH11  ARG  11          HH11      ARG  11  -1.861  12.954   1.678
   89   HH12  ARG  11          HH12      ARG  11  -1.102  13.440   3.107
   90   HH21  ARG  11          HH21      ARG  11  -2.868  11.281   5.273
   91   HH22  ARG  11          HH22      ARG  11  -1.626  12.436   5.166
   92    H    ARG  12           HN       ARG  12  -0.587   8.570  -1.913
   93    HA   ARG  12           HA       ARG  12  -2.359   9.130  -4.011
   94    HB2  ARG  12           HB2      ARG  12   0.496   8.124  -4.258
   95    HB3  ARG  12           HB1      ARG  12  -0.415   8.956  -5.509
   96    HG2  ARG  12           HG2      ARG  12  -0.443  10.978  -4.191
   97    HG3  ARG  12           HG1      ARG  12   0.354  10.145  -2.856
   98    HD2  ARG  12           HD2      ARG  12   2.015  11.417  -3.999
   99    HD3  ARG  12           HD1      ARG  12   2.291   9.720  -4.377
  100    HE   ARG  12           HE       ARG  12   0.669  10.915  -6.364
  101   HH11  ARG  12          HH11      ARG  12   4.086  10.582  -5.344
  102   HH12  ARG  12          HH12      ARG  12   4.706  11.221  -6.788
  103   HH21  ARG  12          HH21      ARG  12   1.589  11.777  -8.373
  104   HH22  ARG  12          HH22      ARG  12   3.269  11.938  -8.534
  105    H    ALA  13           HN       ALA  13  -0.547   6.190  -3.273
  106    HA   ALA  13           HA       ALA  13  -1.524   4.672  -5.464
  107    HB1  ALA  13           HB1      ALA  13  -0.442   2.775  -4.402
  108    HB2  ALA  13           HB2      ALA  13  -0.250   3.699  -2.912
  109    HB3  ALA  13           HB3      ALA  13   0.616   4.186  -4.369
  110    H    LEU  14           HN       LEU  14  -2.411   4.794  -2.032
  111    HA   LEU  14           HA       LEU  14  -4.365   2.757  -2.186
  112    HB2  LEU  14           HB2      LEU  14  -3.812   4.883  -0.171
  113    HB3  LEU  14           HB1      LEU  14  -5.343   4.042  -0.106
  114    HG   LEU  14           HG       LEU  14  -3.814   3.054   1.449
  115   HD11  LEU  14          HD11      LEU  14  -5.362   1.552   0.405
  116   HD12  LEU  14          HD12      LEU  14  -3.835   0.729   0.730
  117   HD13  LEU  14          HD13      LEU  14  -4.227   1.252  -0.911
  118   HD21  LEU  14          HD21      LEU  14  -1.990   2.549  -0.886
  119   HD22  LEU  14          HD22      LEU  14  -1.754   1.948   0.755
  120   HD23  LEU  14          HD23      LEU  14  -1.706   3.681   0.434
  121    H    VAL  15           HN       VAL  15  -4.641   6.240  -2.578
  122    HA   VAL  15           HA       VAL  15  -7.410   6.187  -3.109
  123    HB   VAL  15           HB       VAL  15  -5.256   8.056  -4.203
  124   HG11  VAL  15          HG11      VAL  15  -8.268   8.356  -4.304
  125   HG12  VAL  15          HG12      VAL  15  -7.220   8.043  -5.686
  126   HG13  VAL  15          HG13      VAL  15  -7.093   9.571  -4.813
  127   HG21  VAL  15          HG21      VAL  15  -6.144   9.641  -2.564
  128   HG22  VAL  15          HG22      VAL  15  -5.543   8.176  -1.788
  129   HG23  VAL  15          HG23      VAL  15  -7.278   8.416  -1.996
  130    H    GLU  16           HN       GLU  16  -4.668   6.086  -5.304
  131    HA   GLU  16           HA       GLU  16  -5.864   6.123  -7.744
  132    HB2  GLU  16           HB2      GLU  16  -3.408   6.098  -7.214
  133    HB3  GLU  16           HB1      GLU  16  -3.519   4.344  -7.151
  134    HG2  GLU  16           HG2      GLU  16  -2.711   4.977  -9.301
  135    HG3  GLU  16           HG1      GLU  16  -4.363   4.378  -9.490
  136    H    SER  17           HN       SER  17  -5.205   3.075  -5.953
  137    HA   SER  17           HA       SER  17  -6.112   1.415  -8.049
  138    HB2  SER  17           HB2      SER  17  -5.878   0.717  -5.124
  139    HB3  SER  17           HB1      SER  17  -5.775  -0.417  -6.472
  140    HG   SER  17           HG       SER  17  -3.890   1.067  -5.350
  141    H    ALA  18           HN       ALA  18  -7.994   3.340  -6.022
  142    HA   ALA  18           HA       ALA  18 -10.434   1.897  -6.757
  143    HB1  ALA  18           HB1      ALA  18  -9.749   2.759  -3.950
  144    HB2  ALA  18           HB2      ALA  18  -9.874   1.085  -4.503
  145    HB3  ALA  18           HB3      ALA  18 -11.309   2.120  -4.464
  146    H    GLY  19           HN       GLY  19  -8.826   4.465  -7.231
  147    HA2  GLY  19           HA2      GLY  19 -10.459   6.476  -5.907
  148    HA3  GLY  19           HA1      GLY  19  -8.907   6.733  -6.677
  149    H    GLU  20           HN       GLU  20 -10.596   4.909  -8.722
  150    HA   GLU  20           HA       GLU  20 -11.121   7.096 -10.400
  151    HB2  GLU  20           HB2      GLU  20 -12.035   5.422 -11.985
  152    HB3  GLU  20           HB1      GLU  20 -10.469   4.988 -11.306
  153    HG2  GLU  20           HG2      GLU  20 -11.533   3.400  -9.810
  154    HG3  GLU  20           HG1      GLU  20 -13.108   3.808 -10.502
  155    H    THR  21           HN       THR  21 -12.511   8.463  -9.983
  156    HA   THR  21           HA       THR  21 -14.126   9.578  -9.057
  157    HB   THR  21           HB       THR  21 -16.531   8.649  -9.361
  158    HG1  THR  21           HG1      THR  21 -15.300   6.484  -9.926
  159   HG21  THR  21          HG21      THR  21 -14.719   9.192 -11.702
  160   HG22  THR  21          HG22      THR  21 -15.524  10.377 -10.666
  161   HG23  THR  21          HG23      THR  21 -16.490   9.325 -11.708
  162    H    ASP  22           HN       ASP  22 -12.708   8.304  -7.219
  163    HA   ASP  22           HA       ASP  22 -14.699   7.555  -5.197
  164    HB2  ASP  22           HB2      ASP  22 -12.575   6.183  -5.251
  165    HB3  ASP  22           HB1      ASP  22 -11.674   7.633  -4.832
  166    H    GLY  23           HN       GLY  23 -15.468   9.027  -4.013
  167    HA2  GLY  23           HA2      GLY  23 -14.533  11.721  -4.072
  168    HA3  GLY  23           HA1      GLY  23 -15.778  11.088  -2.996
  169    H    THR  24           HN       THR  24 -15.099   9.974  -1.096
  170    HA   THR  24           HA       THR  24 -12.337  10.193  -0.314
  171    HB   THR  24           HB       THR  24 -14.559  11.629   1.197
  172    HG1  THR  24           HG1      THR  24 -12.887  12.409  -0.749
  173   HG21  THR  24          HG21      THR  24 -12.771  12.422   2.704
  174   HG22  THR  24          HG22      THR  24 -11.601  11.436   1.827
  175   HG23  THR  24          HG23      THR  24 -12.900  10.665   2.737
  176    H    ASP  25           HN       ASP  25 -12.982   7.794  -0.630
  177    HA   ASP  25           HA       ASP  25 -14.526   6.762   1.628
  178    HB2  ASP  25           HB2      ASP  25 -14.451   5.823  -0.811
  179    HB3  ASP  25           HB1      ASP  25 -12.953   5.063  -0.321
  180    H    LEU  26           HN       LEU  26 -11.359   6.031   0.278
  181    HA   LEU  26           HA       LEU  26 -10.289   5.979   3.025
  182    HB2  LEU  26           HB2      LEU  26  -8.632   4.423   2.431
  183    HB3  LEU  26           HB1      LEU  26 -10.092   3.823   1.699
  184    HG   LEU  26           HG       LEU  26  -7.901   5.277   0.202
  185   HD11  LEU  26          HD11      LEU  26  -7.283   3.071  -0.627
  186   HD12  LEU  26          HD12      LEU  26  -8.474   2.346   0.454
  187   HD13  LEU  26          HD13      LEU  26  -7.092   3.215   1.120
  188   HD21  LEU  26          HD21      LEU  26  -9.954   5.445  -1.052
  189   HD22  LEU  26          HD22      LEU  26 -10.331   3.747  -0.746
  190   HD23  LEU  26          HD23      LEU  26  -8.973   4.174  -1.785
  191    H    SER  27           HN       SER  27 -10.351   7.545   0.152
  192    HA   SER  27           HA       SER  27  -7.895   8.729  -0.180
  193    HB2  SER  27           HB2      SER  27 -10.580   9.897  -0.536
  194    HB3  SER  27           HB1      SER  27  -9.127  10.428  -1.386
  195    HG   SER  27           HG       SER  27 -10.795   8.370  -2.120
  196    H    GLY  28           HN       GLY  28  -6.796   9.762   1.345
  197    HA2  GLY  28           HA2      GLY  28  -6.641  11.879   2.591
  198    HA3  GLY  28           HA1      GLY  28  -8.284  11.521   3.151
  199    H    ASP  29           HN       ASP  29  -8.572  10.274   4.914
  200    HA   ASP  29           HA       ASP  29  -6.146   9.272   6.219
  201    HB2  ASP  29           HB2      ASP  29  -7.669  10.810   7.513
  202    HB3  ASP  29           HB1      ASP  29  -8.915   9.572   7.419
  203    H    PHE  30           HN       PHE  30  -5.767   7.277   6.261
  204    HA   PHE  30           HA       PHE  30  -7.783   5.150   6.128
  205    HB2  PHE  30           HB2      PHE  30  -7.028   4.181   3.975
  206    HB3  PHE  30           HB1      PHE  30  -7.449   5.860   3.752
  207    HD1  PHE  30           HD2      PHE  30  -5.749   7.584   3.483
  208    HD2  PHE  30           HD1      PHE  30  -4.722   3.476   3.703
  209    HE1  PHE  30           HE2      PHE  30  -3.526   8.100   2.642
  210    HE2  PHE  30           HE1      PHE  30  -2.477   3.990   2.869
  211    HZ   PHE  30           HZ       PHE  30  -1.870   6.308   2.342
  212    H    LEU  31           HN       LEU  31  -4.552   6.323   6.606
  213    HA   LEU  31           HA       LEU  31  -2.877   4.240   6.255
  214    HB2  LEU  31           HB2      LEU  31  -2.282   6.557   6.627
  215    HB3  LEU  31           HB1      LEU  31  -2.639   6.381   8.339
  216    HG   LEU  31           HG       LEU  31  -0.868   4.541   8.353
  217   HD11  LEU  31          HD11      LEU  31  -0.156   5.835   5.738
  218   HD12  LEU  31          HD12      LEU  31  -0.714   4.180   5.981
  219   HD13  LEU  31          HD13      LEU  31   0.847   4.688   6.626
  220   HD21  LEU  31          HD21      LEU  31  -0.017   7.381   7.814
  221   HD22  LEU  31          HD22      LEU  31   0.963   6.139   8.596
  222   HD23  LEU  31          HD23      LEU  31  -0.511   6.720   9.373
  223    H    ASP  32           HN       ASP  32  -4.725   4.815   9.249
  224    HA   ASP  32           HA       ASP  32  -3.416   2.394  10.235
  225    HB2  ASP  32           HB2      ASP  32  -4.590   4.690  11.765
  226    HB3  ASP  32           HB1      ASP  32  -4.229   3.143  12.529
  227    H    LEU  33           HN       LEU  33  -6.044   2.941   8.643
  228    HA   LEU  33           HA       LEU  33  -7.830   1.450  10.384
  229    HB2  LEU  33           HB2      LEU  33  -8.326   2.629   7.647
  230    HB3  LEU  33           HB1      LEU  33  -9.497   1.665   8.510
  231    HG   LEU  33           HG       LEU  33 -10.170   3.860   8.802
  232   HD11  LEU  33          HD11      LEU  33  -8.667   3.108  11.277
  233   HD12  LEU  33          HD12      LEU  33 -10.305   2.629  10.833
  234   HD13  LEU  33          HD13      LEU  33  -9.943   4.321  11.176
  235   HD21  LEU  33          HD21      LEU  33  -7.341   4.574   9.521
  236   HD22  LEU  33          HD22      LEU  33  -8.723   5.664   9.606
  237   HD23  LEU  33          HD23      LEU  33  -8.207   5.018   8.051
  238    H    ARG  34           HN       ARG  34  -9.120  -0.283   9.254
  239    HA   ARG  34           HA       ARG  34  -7.276  -2.286   8.336
  240    HB2  ARG  34           HB2      ARG  34 -10.277  -2.295   8.684
  241    HB3  ARG  34           HB1      ARG  34  -9.344  -3.697   8.185
  242    HG2  ARG  34           HG2      ARG  34  -8.971  -2.234  10.790
  243    HG3  ARG  34           HG1      ARG  34  -9.939  -3.700  10.530
  244    HD2  ARG  34           HD2      ARG  34  -8.102  -4.991  10.013
  245    HD3  ARG  34           HD1      ARG  34  -7.052  -3.618   9.721
  246    HE   ARG  34           HE       ARG  34  -7.793  -3.452  12.363
  247   HH11  ARG  34          HH11      ARG  34  -6.335  -5.957  10.373
  248   HH12  ARG  34          HH12      ARG  34  -5.159  -6.421  11.513
  249   HH21  ARG  34          HH21      ARG  34  -6.178  -4.083  13.983
  250   HH22  ARG  34          HH22      ARG  34  -5.087  -5.336  13.620
  251    H    PHE  35           HN       PHE  35  -7.062  -3.092   6.374
  252    HA   PHE  35           HA       PHE  35  -7.541  -1.582   4.108
  253    HB2  PHE  35           HB2      PHE  35  -7.002  -4.515   4.485
  254    HB3  PHE  35           HB1      PHE  35  -7.099  -3.783   2.863
  255    HD1  PHE  35           HD2      PHE  35  -5.514  -1.702   2.585
  256    HD2  PHE  35           HD1      PHE  35  -5.067  -4.715   5.544
  257    HE1  PHE  35           HE2      PHE  35  -3.174  -1.095   2.840
  258    HE2  PHE  35           HE1      PHE  35  -2.703  -4.109   5.810
  259    HZ   PHE  35           HZ       PHE  35  -1.726  -2.362   4.373
  260    H    GLU  36           HN       GLU  36  -9.390  -4.299   5.347
  261    HA   GLU  36           HA       GLU  36 -11.385  -4.274   3.387
  262    HB2  GLU  36           HB2      GLU  36 -12.794  -5.457   5.219
  263    HB3  GLU  36           HB1      GLU  36 -11.336  -6.214   4.611
  264    HG2  GLU  36           HG2      GLU  36 -11.290  -4.619   7.153
  265    HG3  GLU  36           HG1      GLU  36 -11.817  -6.299   7.141
  266    H    ASP  37           HN       ASP  37 -10.911  -2.343   6.116
  267    HA   ASP  37           HA       ASP  37 -13.570  -1.151   6.053
  268    HB2  ASP  37           HB2      ASP  37 -12.559  -1.527   8.228
  269    HB3  ASP  37           HB1      ASP  37 -11.184  -0.519   7.797
  270    H    ILE  38           HN       ILE  38 -10.615  -0.542   4.498
  271    HA   ILE  38           HA       ILE  38 -11.305   2.271   4.093
  272    HB   ILE  38           HB       ILE  38  -9.128   2.557   2.957
  273   HG12  ILE  38          HG12      ILE  38  -8.653  -0.355   3.648
  274   HG13  ILE  38          HG11      ILE  38  -8.884   0.288   2.032
  275   HG21  ILE  38          HG21      ILE  38  -9.244   2.965   5.324
  276   HG22  ILE  38          HG22      ILE  38  -7.673   2.273   4.905
  277   HG23  ILE  38          HG23      ILE  38  -8.909   1.265   5.660
  278   HD11  ILE  38          HD11      ILE  38  -6.777   1.517   2.226
  279   HD12  ILE  38          HD12      ILE  38  -6.560  -0.216   2.484
  280   HD13  ILE  38          HD13      ILE  38  -6.562   0.883   3.861
  281    H    GLY  39           HN       GLY  39 -12.711  -0.045   2.994
  282    HA2  GLY  39           HA2      GLY  39 -14.040  -0.283   1.138
  283    HA3  GLY  39           HA1      GLY  39 -13.252   1.131   0.453
  284    H    TYR  40           HN       TYR  40 -11.377  -1.575   1.556
  285    HA   TYR  40           HA       TYR  40 -10.783  -2.029  -1.212
  286    HB2  TYR  40           HB2      TYR  40  -9.028  -2.154   1.166
  287    HB3  TYR  40           HB1      TYR  40  -8.748  -3.340  -0.098
  288    HD1  TYR  40           HD2      TYR  40 -10.148  -0.103  -1.021
  289    HD2  TYR  40           HD1      TYR  40  -6.599  -2.360  -0.574
  290    HE1  TYR  40           HE2      TYR  40  -8.970   1.485  -2.461
  291    HE2  TYR  40           HE1      TYR  40  -5.409  -0.782  -2.019
  292    HH   TYR  40           HH       TYR  40  -6.670   2.204  -2.910
  293    H    ASP  41           HN       ASP  41 -11.170  -3.580  -2.251
  294    HA   ASP  41           HA       ASP  41 -12.606  -5.821  -1.155
  295    HB2  ASP  41           HB2      ASP  41 -13.609  -4.944  -3.069
  296    HB3  ASP  41           HB1      ASP  41 -12.075  -4.732  -3.890
  297    H    SER  42           HN       SER  42  -9.865  -5.632  -3.488
  298    HA   SER  42           HA       SER  42  -8.110  -7.299  -2.058
  299    HB2  SER  42           HB2      SER  42  -8.311  -9.407  -3.348
  300    HB3  SER  42           HB1      SER  42  -9.770  -9.061  -2.410
  301    H    LEU  43           HN       LEU  43  -9.214  -7.005  -5.415
  302    HA   LEU  43           HA       LEU  43  -6.691  -7.040  -6.634
  303    HB2  LEU  43           HB2      LEU  43  -8.584  -7.350  -8.025
  304    HB3  LEU  43           HB1      LEU  43  -9.302  -5.837  -7.517
  305    HG   LEU  43           HG       LEU  43  -7.593  -4.590  -8.753
  306   HD11  LEU  43          HD11      LEU  43  -6.559  -7.278  -9.664
  307   HD12  LEU  43          HD12      LEU  43  -5.733  -6.118  -8.605
  308   HD13  LEU  43          HD13      LEU  43  -6.052  -5.694 -10.272
  309   HD21  LEU  43          HD21      LEU  43  -8.978  -6.690 -10.402
  310   HD22  LEU  43          HD22      LEU  43  -8.337  -5.161 -11.009
  311   HD23  LEU  43          HD23      LEU  43  -9.673  -5.165  -9.857
  312    H    ALA  44           HN       ALA  44  -8.631  -4.358  -5.511
  313    HA   ALA  44           HA       ALA  44  -6.903  -2.304  -6.299
  314    HB1  ALA  44           HB1      ALA  44  -8.056  -0.927  -4.651
  315    HB2  ALA  44           HB2      ALA  44  -8.740  -2.373  -3.908
  316    HB3  ALA  44           HB3      ALA  44  -9.200  -1.923  -5.550
  317    H    LEU  45           HN       LEU  45  -6.942  -4.308  -3.414
  318    HA   LEU  45           HA       LEU  45  -4.984  -2.846  -1.996
  319    HB2  LEU  45           HB2      LEU  45  -6.575  -4.391  -0.890
  320    HB3  LEU  45           HB1      LEU  45  -5.822  -5.744  -1.690
  321    HG   LEU  45           HG       LEU  45  -5.314  -5.304   0.814
  322   HD11  LEU  45          HD11      LEU  45  -3.004  -5.665  -1.106
  323   HD12  LEU  45          HD12      LEU  45  -4.061  -6.950  -0.518
  324   HD13  LEU  45          HD13      LEU  45  -2.999  -6.094   0.604
  325   HD21  LEU  45          HD21      LEU  45  -3.541  -3.285  -0.484
  326   HD22  LEU  45          HD22      LEU  45  -3.381  -3.870   1.178
  327   HD23  LEU  45          HD23      LEU  45  -4.832  -2.981   0.694
  328    H    MET  46           HN       MET  46  -4.792  -5.711  -3.983
  329    HA   MET  46           HA       MET  46  -1.978  -5.999  -3.662
  330    HB2  MET  46           HB2      MET  46  -2.066  -7.706  -5.359
  331    HB3  MET  46           HB1      MET  46  -3.467  -7.883  -4.319
  332    HG2  MET  46           HG2      MET  46  -4.473  -8.150  -6.359
  333    HG3  MET  46           HG1      MET  46  -4.558  -6.390  -6.139
  334    HE1  MET  46           HE1      MET  46  -1.338  -8.392  -8.776
  335    HE2  MET  46           HE2      MET  46  -2.548  -9.310  -7.881
  336    HE3  MET  46           HE3      MET  46  -1.304  -8.409  -7.013
  337    H    GLU  47           HN       GLU  47  -3.983  -4.305  -5.990
  338    HA   GLU  47           HA       GLU  47  -1.945  -3.774  -7.854
  339    HB2  GLU  47           HB2      GLU  47  -4.377  -3.739  -8.343
  340    HB3  GLU  47           HB1      GLU  47  -4.529  -2.287  -7.365
  341    HG2  GLU  47           HG2      GLU  47  -3.034  -1.130  -8.876
  342    HG3  GLU  47           HG1      GLU  47  -2.917  -2.575  -9.877
  343    H    THR  48           HN       THR  48  -3.041  -2.196  -4.957
  344    HA   THR  48           HA       THR  48  -1.732   0.269  -5.207
  345    HB   THR  48           HB       THR  48  -2.302  -1.419  -2.755
  346    HG1  THR  48           HG1      THR  48  -4.193  -0.760  -3.857
  347   HG21  THR  48          HG21      THR  48  -0.559   0.237  -2.281
  348   HG22  THR  48          HG22      THR  48  -2.071   0.666  -1.479
  349   HG23  THR  48          HG23      THR  48  -1.581   1.509  -2.949
  350    H    ALA  49           HN       ALA  49  -0.692  -2.733  -3.597
  351    HA   ALA  49           HA       ALA  49   1.945  -1.978  -3.063
  352    HB1  ALA  49           HB1      ALA  49   0.873  -4.732  -3.661
  353    HB2  ALA  49           HB2      ALA  49   0.928  -3.971  -2.062
  354    HB3  ALA  49           HB3      ALA  49   2.427  -4.364  -2.918
  355    H    ALA  50           HN       ALA  50   0.533  -3.712  -5.803
  356    HA   ALA  50           HA       ALA  50   2.815  -4.246  -7.255
  357    HB1  ALA  50           HB1      ALA  50   0.619  -5.214  -7.723
  358    HB2  ALA  50           HB2      ALA  50   1.354  -4.528  -9.171
  359    HB3  ALA  50           HB3      ALA  50   0.067  -3.656  -8.338
  360    H    ARG  51           HN       ARG  51   0.808  -1.339  -7.312
  361    HA   ARG  51           HA       ARG  51   2.030  -0.052  -9.491
  362    HB2  ARG  51           HB2      ARG  51  -0.126   0.592  -8.309
  363    HB3  ARG  51           HB1      ARG  51   0.866   1.300  -7.047
  364    HG2  ARG  51           HG2      ARG  51   0.161   3.052  -8.493
  365    HG3  ARG  51           HG1      ARG  51   1.881   2.782  -8.791
  366    HD2  ARG  51           HD2      ARG  51   1.334   1.421 -10.743
  367    HD3  ARG  51           HD1      ARG  51  -0.384   1.667 -10.440
  368    HE   ARG  51           HE       ARG  51   1.461   3.864 -11.118
  369   HH11  ARG  51          HH11      ARG  51  -1.628   2.176 -11.597
  370   HH12  ARG  51          HH12      ARG  51  -2.276   3.369 -12.615
  371   HH21  ARG  51          HH21      ARG  51   0.631   5.400 -12.574
  372   HH22  ARG  51          HH22      ARG  51  -0.932   5.236 -13.267
  373    H    LEU  52           HN       LEU  52   2.634   0.111  -6.026
  374    HA   LEU  52           HA       LEU  52   4.809   1.909  -6.217
  375    HB2  LEU  52           HB2      LEU  52   4.001   0.043  -3.996
  376    HB3  LEU  52           HB1      LEU  52   5.222   1.292  -3.850
  377    HG   LEU  52           HG       LEU  52   2.300   1.782  -4.450
  378   HD11  LEU  52          HD11      LEU  52   2.640   1.000  -2.173
  379   HD12  LEU  52          HD12      LEU  52   2.201   2.708  -2.201
  380   HD13  LEU  52          HD13      LEU  52   3.878   2.233  -1.931
  381   HD21  LEU  52          HD21      LEU  52   3.760   3.470  -5.445
  382   HD22  LEU  52          HD22      LEU  52   4.550   3.718  -3.887
  383   HD23  LEU  52          HD23      LEU  52   2.849   4.141  -4.092
  384    H    GLU  53           HN       GLU  53   4.597  -1.610  -5.987
  385    HA   GLU  53           HA       GLU  53   7.288  -2.240  -5.782
  386    HB2  GLU  53           HB2      GLU  53   5.122  -3.712  -7.281
  387    HB3  GLU  53           HB1      GLU  53   6.721  -4.357  -6.987
  388    HG2  GLU  53           HG2      GLU  53   6.258  -4.278  -4.552
  389    HG3  GLU  53           HG1      GLU  53   4.648  -3.677  -4.925
  390    H    SER  54           HN       SER  54   5.288  -1.946  -8.642
  391    HA   SER  54           HA       SER  54   7.245  -2.405 -10.588
  392    HB2  SER  54           HB2      SER  54   4.840  -2.591 -10.986
  393    HB3  SER  54           HB1      SER  54   4.649  -0.862 -10.736
  394    HG   SER  54           HG       SER  54   5.420  -2.267 -12.909
  395    H    ARG  55           HN       ARG  55   6.190   0.568  -9.016
  396    HA   ARG  55           HA       ARG  55   7.409   2.371 -10.801
  397    HB2  ARG  55           HB2      ARG  55   5.632   3.006  -9.220
  398    HB3  ARG  55           HB1      ARG  55   6.751   2.783  -7.885
  399    HG2  ARG  55           HG2      ARG  55   8.129   4.608  -8.704
  400    HG3  ARG  55           HG1      ARG  55   7.067   4.803 -10.099
  401    HD2  ARG  55           HD2      ARG  55   6.300   5.177  -7.206
  402    HD3  ARG  55           HD1      ARG  55   6.575   6.464  -8.381
  403    HE   ARG  55           HE       ARG  55   4.601   4.626  -9.278
  404   HH11  ARG  55          HH11      ARG  55   5.054   7.519  -7.235
  405   HH12  ARG  55          HH12      ARG  55   3.393   7.893  -7.196
  406   HH21  ARG  55          HH21      ARG  55   2.352   5.216  -9.245
  407   HH22  ARG  55          HH22      ARG  55   1.830   6.568  -8.353
  408    H    TYR  56           HN       TYR  56   8.610   0.813  -7.884
  409    HA   TYR  56           HA       TYR  56  11.125   2.279  -8.228
  410    HB2  TYR  56           HB2      TYR  56  10.083   0.788  -5.819
  411    HB3  TYR  56           HB1      TYR  56  11.622   1.638  -5.879
  412    HD1  TYR  56           HD2      TYR  56  11.606   4.122  -6.353
  413    HD2  TYR  56           HD1      TYR  56   8.126   1.934  -5.281
  414    HE1  TYR  56           HE2      TYR  56  10.499   6.211  -5.704
  415    HE2  TYR  56           HE1      TYR  56   7.011   4.007  -4.630
  416    HH   TYR  56           HH       TYR  56   7.630   6.225  -3.930
  417    H    GLY  57           HN       GLY  57   9.839  -0.735  -8.885
  418    HA2  GLY  57           HA2      GLY  57  10.888  -2.546  -9.855
  419    HA3  GLY  57           HA1      GLY  57  12.440  -1.764  -9.572
  420    H    VAL  58           HN       VAL  58   9.998  -2.370  -7.177
  421    HA   VAL  58           HA       VAL  58  11.873  -4.178  -5.878
  422    HB   VAL  58           HB       VAL  58  10.840  -3.639  -3.684
  423   HG11  VAL  58          HG11      VAL  58  12.839  -2.455  -4.348
  424   HG12  VAL  58          HG12      VAL  58  11.787  -1.393  -3.416
  425   HG13  VAL  58          HG13      VAL  58  11.870  -1.229  -5.168
  426   HG21  VAL  58          HG21      VAL  58   9.374  -1.666  -3.466
  427   HG22  VAL  58          HG22      VAL  58   8.630  -2.963  -4.395
  428   HG23  VAL  58          HG23      VAL  58   9.300  -1.550  -5.227
  429    H    SER  59           HN       SER  59  10.506  -5.623  -4.175
  430    HA   SER  59           HA       SER  59   8.173  -6.661  -5.592
  431    HB2  SER  59           HB2      SER  59  10.262  -7.799  -6.408
  432    HB3  SER  59           HB1      SER  59  10.524  -8.375  -4.766
  433    HG   SER  59           HG       SER  59   9.155  -9.463  -6.645
  434    H    ILE  60           HN       ILE  60   6.660  -7.419  -4.234
  435    HA   ILE  60           HA       ILE  60   7.324  -7.874  -1.395
  436    HB   ILE  60           HB       ILE  60   4.751  -6.753  -2.575
  437   HG12  ILE  60          HG12      ILE  60   6.779  -5.401  -0.775
  438   HG13  ILE  60          HG11      ILE  60   6.623  -5.122  -2.508
  439   HG21  ILE  60          HG21      ILE  60   4.281  -8.174  -0.649
  440   HG22  ILE  60          HG22      ILE  60   3.991  -6.484  -0.247
  441   HG23  ILE  60          HG23      ILE  60   5.457  -7.284   0.319
  442   HD11  ILE  60          HD11      ILE  60   4.545  -4.552  -0.416
  443   HD12  ILE  60          HD12      ILE  60   4.381  -4.241  -2.147
  444   HD13  ILE  60          HD13      ILE  60   5.593  -3.371  -1.201
  445    HA   PRO  61           HA       PRO  61   5.877 -12.035  -2.366
  446    HB2  PRO  61           HB2      PRO  61   5.388 -12.049   0.574
  447    HB3  PRO  61           HB1      PRO  61   6.276 -13.210  -0.424
  448    HG2  PRO  61           HG2      PRO  61   7.606 -11.518   1.116
  449    HG3  PRO  61           HG1      PRO  61   8.182 -11.869  -0.526
  450    HD2  PRO  61           HD2      PRO  61   6.708  -9.473   0.493
  451    HD3  PRO  61           HD1      PRO  61   8.060  -9.559  -0.658
  452    H    ASP  62           HN       ASP  62   3.935 -12.719  -2.916
  453    HA   ASP  62           HA       ASP  62   1.595 -11.196  -2.625
  454    HB2  ASP  62           HB2      ASP  62   0.401 -12.962  -3.730
  455    HB3  ASP  62           HB1      ASP  62   1.987 -12.835  -4.466
  456    H    ASP  63           HN       ASP  63   2.792 -13.882  -0.769
  457    HA   ASP  63           HA       ASP  63   0.388 -14.205   0.729
  458    HB2  ASP  63           HB2      ASP  63   1.764 -15.630   2.240
  459    HB3  ASP  63           HB1      ASP  63   1.851 -16.103   0.549
  460    H    VAL  64           HN       VAL  64   3.167 -12.179   0.976
  461    HA   VAL  64           HA       VAL  64   2.607 -11.406   3.695
  462    HB   VAL  64           HB       VAL  64   4.510 -10.174   1.649
  463   HG11  VAL  64          HG11      VAL  64   5.464  -8.894   3.515
  464   HG12  VAL  64          HG12      VAL  64   4.224  -9.533   4.594
  465   HG13  VAL  64          HG13      VAL  64   3.769  -8.468   3.262
  466   HG21  VAL  64          HG21      VAL  64   6.258 -11.155   3.055
  467   HG22  VAL  64          HG22      VAL  64   5.169 -12.382   2.408
  468   HG23  VAL  64          HG23      VAL  64   5.019 -11.870   4.088
  469    H    ALA  65           HN       ALA  65   1.937 -10.187   0.465
  470    HA   ALA  65           HA       ALA  65   0.702  -7.801   1.278
  471    HB1  ALA  65           HB1      ALA  65  -0.002  -9.505  -1.128
  472    HB2  ALA  65           HB2      ALA  65   1.238  -8.247  -1.095
  473    HB3  ALA  65           HB3      ALA  65  -0.463  -7.823  -0.898
  474    H    GLY  66           HN       GLY  66  -0.471 -11.088   1.081
  475    HA2  GLY  66           HA2      GLY  66  -3.159 -10.397   1.851
  476    HA3  GLY  66           HA1      GLY  66  -2.483 -12.020   1.770
  477    H    ARG  67           HN       ARG  67  -0.256 -10.593   3.495
  478    HA   ARG  67           HA       ARG  67  -1.527 -11.296   6.023
  479    HB2  ARG  67           HB2      ARG  67   1.274 -11.575   5.031
  480    HB3  ARG  67           HB1      ARG  67   0.990 -11.434   6.764
  481    HG2  ARG  67           HG2      ARG  67  -0.472 -13.393   6.673
  482    HG3  ARG  67           HG1      ARG  67  -0.247 -13.484   4.928
  483    HD2  ARG  67           HD2      ARG  67   2.129 -13.926   5.251
  484    HD3  ARG  67           HD1      ARG  67   1.931 -13.789   7.000
  485    HE   ARG  67           HE       ARG  67   0.127 -15.677   6.287
  486   HH11  ARG  67          HH11      ARG  67   3.611 -15.431   5.630
  487   HH12  ARG  67          HH12      ARG  67   3.886 -17.106   5.772
  488   HH21  ARG  67          HH21      ARG  67   0.522 -17.967   6.461
  489   HH22  ARG  67          HH22      ARG  67   2.073 -18.592   6.174
  490    H    VAL  68           HN       VAL  68  -1.038  -8.539   4.450
  491    HA   VAL  68           HA       VAL  68   0.282  -7.122   6.558
  492    HB   VAL  68           HB       VAL  68  -0.284  -5.008   5.285
  493   HG11  VAL  68          HG11      VAL  68   1.160  -7.148   3.738
  494   HG12  VAL  68          HG12      VAL  68   1.849  -6.120   4.996
  495   HG13  VAL  68          HG13      VAL  68   1.303  -5.407   3.481
  496   HG21  VAL  68          HG21      VAL  68  -1.319  -6.965   3.248
  497   HG22  VAL  68          HG22      VAL  68  -1.080  -5.237   2.985
  498   HG23  VAL  68          HG23      VAL  68  -2.288  -5.796   4.146
  499    H    ASP  69           HN       ASP  69  -0.481  -5.629   7.857
  500    HA   ASP  69           HA       ASP  69  -3.157  -6.189   8.896
  501    HB2  ASP  69           HB2      ASP  69  -1.544  -6.394  10.544
  502    HB3  ASP  69           HB1      ASP  69  -0.614  -5.018   9.980
  503    H    THR  70           HN       THR  70  -1.345  -3.144   8.599
  504    HA   THR  70           HA       THR  70  -3.820  -1.897   7.716
  505    HB   THR  70           HB       THR  70  -3.133   0.085   9.201
  506    HG1  THR  70           HG1      THR  70  -1.779  -1.900  10.674
  507   HG21  THR  70          HG21      THR  70  -5.043  -1.365   9.787
  508   HG22  THR  70          HG22      THR  70  -4.164  -0.864  11.239
  509   HG23  THR  70          HG23      THR  70  -3.928  -2.485  10.577
  510    HA   PRO  71           HA       PRO  71  -1.426   0.049   4.553
  511    HB2  PRO  71           HB2      PRO  71  -2.294   2.664   5.712
  512    HB3  PRO  71           HB1      PRO  71  -2.307   2.123   4.026
  513    HG2  PRO  71           HG2      PRO  71  -4.551   2.132   5.407
  514    HG3  PRO  71           HG1      PRO  71  -4.174   0.759   4.347
  515    HD2  PRO  71           HD2      PRO  71  -4.027   0.953   7.321
  516    HD3  PRO  71           HD1      PRO  71  -4.502  -0.421   6.300
  517    H    ARG  72           HN       ARG  72  -1.093   1.656   7.724
  518    HA   ARG  72           HA       ARG  72   1.383   2.843   7.373
  519    HB2  ARG  72           HB2      ARG  72   0.056   3.164   9.420
  520    HB3  ARG  72           HB1      ARG  72   0.403   1.508   9.911
  521    HG2  ARG  72           HG2      ARG  72   2.798   2.052  10.005
  522    HG3  ARG  72           HG1      ARG  72   2.428   3.716   9.561
  523    HD2  ARG  72           HD2      ARG  72   1.498   2.282  12.046
  524    HD3  ARG  72           HD1      ARG  72   2.793   3.471  11.960
  525    HE   ARG  72           HE       ARG  72  -0.075   4.001  11.562
  526   HH11  ARG  72          HH11      ARG  72   3.191   5.215  12.203
  527   HH12  ARG  72          HH12      ARG  72   2.671   6.723  12.807
  528   HH21  ARG  72          HH21      ARG  72  -0.784   6.063  12.240
  529   HH22  ARG  72          HH22      ARG  72   0.333   7.270  12.746
  530    H    GLU  73           HN       GLU  73   0.700  -0.498   8.223
  531    HA   GLU  73           HA       GLU  73   3.387  -1.301   8.621
  532    HB2  GLU  73           HB2      GLU  73   1.497  -2.555   9.508
  533    HB3  GLU  73           HB1      GLU  73   0.948  -2.912   7.878
  534    HG2  GLU  73           HG2      GLU  73   2.977  -4.193   7.478
  535    HG3  GLU  73           HG1      GLU  73   3.524  -3.837   9.116
  536    H    LEU  74           HN       LEU  74   1.243  -1.294   5.854
  537    HA   LEU  74           HA       LEU  74   2.953  -2.695   4.071
  538    HB2  LEU  74           HB2      LEU  74   0.464  -2.368   3.815
  539    HB3  LEU  74           HB1      LEU  74   0.753  -0.689   3.450
  540    HG   LEU  74           HG       LEU  74   0.182  -2.146   1.489
  541   HD11  LEU  74          HD11      LEU  74   2.852  -0.780   1.335
  542   HD12  LEU  74          HD12      LEU  74   1.275  -0.028   1.100
  543   HD13  LEU  74          HD13      LEU  74   1.852  -1.244  -0.041
  544   HD21  LEU  74          HD21      LEU  74   2.922  -3.303   1.975
  545   HD22  LEU  74          HD22      LEU  74   1.921  -3.597   0.551
  546   HD23  LEU  74          HD23      LEU  74   1.384  -4.151   2.136
  547    H    LEU  75           HN       LEU  75   2.400   0.692   4.797
  548    HA   LEU  75           HA       LEU  75   4.148   1.975   3.061
  549    HB2  LEU  75           HB2      LEU  75   2.535   3.101   4.560
  550    HB3  LEU  75           HB1      LEU  75   3.504   2.638   5.931
  551    HG   LEU  75           HG       LEU  75   5.351   4.048   5.089
  552   HD11  LEU  75          HD11      LEU  75   3.334   4.886   3.029
  553   HD12  LEU  75          HD12      LEU  75   4.813   3.969   2.733
  554   HD13  LEU  75          HD13      LEU  75   4.907   5.640   3.299
  555   HD21  LEU  75          HD21      LEU  75   3.774   4.928   6.729
  556   HD22  LEU  75          HD22      LEU  75   2.708   5.467   5.431
  557   HD23  LEU  75          HD23      LEU  75   4.304   6.195   5.622
  558    H    ASP  76           HN       ASP  76   4.681   0.773   6.323
  559    HA   ASP  76           HA       ASP  76   7.381   1.431   6.640
  560    HB2  ASP  76           HB2      ASP  76   5.912   0.810   8.491
  561    HB3  ASP  76           HB1      ASP  76   5.813  -0.832   7.872
  562    H    LEU  77           HN       LEU  77   5.856  -1.481   5.405
  563    HA   LEU  77           HA       LEU  77   8.127  -3.106   5.153
  564    HB2  LEU  77           HB2      LEU  77   5.665  -3.764   5.010
  565    HB3  LEU  77           HB1      LEU  77   5.639  -3.128   3.391
  566    HG   LEU  77           HG       LEU  77   5.724  -5.567   3.437
  567   HD11  LEU  77          HD11      LEU  77   8.256  -4.406   2.318
  568   HD12  LEU  77          HD12      LEU  77   6.696  -4.519   1.503
  569   HD13  LEU  77          HD13      LEU  77   7.580  -5.987   1.917
  570   HD21  LEU  77          HD21      LEU  77   7.723  -6.758   4.206
  571   HD22  LEU  77          HD22      LEU  77   6.901  -5.905   5.515
  572   HD23  LEU  77          HD23      LEU  77   8.377  -5.239   4.818
  573    H    ILE  78           HN       ILE  78   6.536  -0.905   2.863
  574    HA   ILE  78           HA       ILE  78   8.510  -1.425   0.883
  575    HB   ILE  78           HB       ILE  78   6.396   0.768   0.889
  576   HG12  ILE  78          HG12      ILE  78   6.480  -1.988  -0.356
  577   HG13  ILE  78          HG11      ILE  78   5.412  -1.440   0.926
  578   HG21  ILE  78          HG21      ILE  78   8.275   1.309  -0.605
  579   HG22  ILE  78          HG22      ILE  78   6.824   0.922  -1.528
  580   HG23  ILE  78          HG23      ILE  78   8.117  -0.271  -1.377
  581   HD11  ILE  78          HD11      ILE  78   4.308   0.080  -0.658
  582   HD12  ILE  78          HD12      ILE  78   4.256  -1.602  -1.194
  583   HD13  ILE  78          HD13      ILE  78   5.395  -0.488  -1.931
  584    H    ASN  79           HN       ASN  79   8.134   0.960   3.395
  585    HA   ASN  79           HA       ASN  79  10.135   2.743   2.480
  586    HB2  ASN  79           HB2      ASN  79   8.957   2.223   5.175
  587    HB3  ASN  79           HB1      ASN  79  10.483   3.076   5.113
  588   HD21  ASN  79          HD21      ASN  79   7.740   3.343   2.855
  589   HD22  ASN  79          HD22      ASN  79   7.421   5.011   3.257
  590    H    GLY  80           HN       GLY  80  10.312  -0.122   4.517
  591    HA2  GLY  80           HA2      GLY  80  13.073  -0.022   5.064
  592    HA3  GLY  80           HA1      GLY  80  12.086  -1.482   5.062
  593    H    ALA  81           HN       ALA  81  11.253  -1.360   2.392
  594    HA   ALA  81           HA       ALA  81  13.445  -2.607   1.100
  595    HB1  ALA  81           HB1      ALA  81  11.941  -2.799  -0.824
  596    HB2  ALA  81           HB2      ALA  81  10.811  -1.682  -0.062
  597    HB3  ALA  81           HB3      ALA  81  11.114  -3.259   0.664
  598    H    LEU  82           HN       LEU  82  11.833   0.550   0.676
  599    HA   LEU  82           HA       LEU  82  13.343   1.343  -1.561
  600    HB2  LEU  82           HB2      LEU  82  11.764   2.969   0.393
  601    HB3  LEU  82           HB1      LEU  82  12.444   3.575  -1.099
  602    HG   LEU  82           HG       LEU  82  10.261   1.541  -0.782
  603   HD11  LEU  82          HD11      LEU  82  10.313   4.291  -1.993
  604   HD12  LEU  82          HD12      LEU  82   9.558   3.825  -0.468
  605   HD13  LEU  82          HD13      LEU  82   8.935   3.192  -1.990
  606   HD21  LEU  82          HD21      LEU  82  10.173   1.463  -3.215
  607   HD22  LEU  82          HD22      LEU  82  11.724   0.884  -2.601
  608   HD23  LEU  82          HD23      LEU  82  11.599   2.501  -3.301
  609    H    ALA  83           HN       ALA  83  13.916   1.583   1.851
  610    HA   ALA  83           HA       ALA  83  15.751   3.707   1.890
  611    HB1  ALA  83           HB1      ALA  83  14.772   2.710   3.923
  612    HB2  ALA  83           HB2      ALA  83  16.539   2.775   3.989
  613    HB3  ALA  83           HB3      ALA  83  15.733   1.253   3.633
  614    H    GLU  84           HN       GLU  84  16.050   0.405   1.039
  615    HA   GLU  84           HA       GLU  84  18.946   0.602   0.705
  616    HB2  GLU  84           HB2      GLU  84  17.863  -1.326   1.884
  617    HB3  GLU  84           HB1      GLU  84  17.090  -1.752   0.366
  618    HG2  GLU  84           HG2      GLU  84  19.316  -2.048  -0.636
  619    HG3  GLU  84           HG1      GLU  84  20.002  -1.660   0.953
  620    H    ALA  85           HN       ALA  85  15.952  -0.205  -0.980
  621    HA   ALA  85           HA       ALA  85  15.179  -0.050  -3.022
  622    HB1  ALA  85           HB1      ALA  85  15.982   2.278  -2.930
  623    HB2  ALA  85           HB2      ALA  85  16.033   1.621  -4.566
  624    HB3  ALA  85           HB3      ALA  85  17.519   1.762  -3.626
  625    H    ALA  86           HN       ALA  86  15.996  -0.193  -5.508
  626    HA   ALA  86           HA       ALA  86  17.965  -2.336  -5.640
  627    HB1  ALA  86           HB1      ALA  86  15.237  -2.299  -6.949
  628    HB2  ALA  86           HB2      ALA  86  15.737  -3.361  -5.634
  629    HB3  ALA  86           HB3      ALA  86  16.490  -3.511  -7.221
  630   H281  PSR  87          H28A      PSR  87  -8.176 -10.664  -6.907
  631   H282  PSR  87          H28B      PSR  87  -7.765  -9.433  -5.711
  632   H301  PSR  87          H30A      PSR  87  -5.830 -10.823  -7.528
  633   H302  PSR  87          H30B      PSR  87  -4.580 -11.019  -6.288
  634   H303  PSR  87          H30C      PSR  87  -5.558  -9.548  -6.347
  635   H311  PSR  87          H31A      PSR  87  -6.004  -9.872  -3.991
  636   H312  PSR  87          H31B      PSR  87  -5.214 -11.438  -3.920
  637   H313  PSR  87          H31C      PSR  87  -6.904 -11.283  -3.446
  638   H321  PSR  87          H32A      PSR  87  -5.734 -13.274  -5.602
  639   H331  PSR  87          H33A      PSR  87  -7.765 -13.451  -7.223
  640   H361  PSR  87          H36A      PSR  87  -7.027 -13.126  -3.420
  641   H371  PSR  87          H37A      PSR  87  -9.747 -14.143  -3.582
  642   H372  PSR  87          H37B      PSR  87  -8.542 -15.236  -2.877
  643   H381  PSR  87          H38A      PSR  87  -9.140 -12.435  -1.921
  644   H382  PSR  87          H38B      PSR  87  -9.862 -13.879  -1.246
  645   H411  PSR  87          H41A      PSR  87  -8.054 -11.792  -0.193
  646   H421  PSR  87          H42A      PSR  87  -6.839 -12.460   1.882
  647   H422  PSR  87          H42B      PSR  87  -5.803 -13.410   0.803
  648   H431  PSR  87          H43A      PSR  87  -4.790 -11.263   1.362
  649   H432  PSR  87          H43B      PSR  87  -6.192 -10.431   0.652
  650   HC21  PSR  87          H2A       PSR  87  -2.842  -8.691  -2.183
  651   HC22  PSR  87          H2B       PSR  87  -3.957  -9.679  -3.117
  652   HC31  PSR  87          H3A       PSR  87  -2.672 -11.689  -2.571
  653   HC32  PSR  87          H3B       PSR  87  -1.541 -10.703  -1.623
  654   HC41  PSR  87          H4C       PSR  87  -0.673 -11.161  -3.858
  655   HC42  PSR  87          H4A       PSR  87  -0.987  -9.439  -3.644
  656   HC43  PSR  87          H4B       PSR  87  -2.111 -10.430  -4.574
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1  21.219   9.028   3.873
    2    H2   MET   1           HT2      MET   1  21.344  10.664   3.521
    3    H3   MET   1           HT3      MET   1  21.287   9.510   2.279
    4    HA   MET   1           HA       MET   1  19.083  10.016   4.184
    5    HB2  MET   1           HB2      MET   1  19.283  10.555   1.211
    6    HB3  MET   1           HB1      MET   1  17.811  10.679   2.150
    7    HG2  MET   1           HG2      MET   1  18.862  12.482   3.459
    8    HG3  MET   1           HG1      MET   1  20.273  12.381   2.402
    9    HE1  MET   1           HE1      MET   1  18.716  15.097   2.848
   10    HE2  MET   1           HE2      MET   1  18.628  15.706   1.194
   11    HE3  MET   1           HE3      MET   1  20.104  14.929   1.771
   12    H    ALA   2           HN       ALA   2  17.080   8.922   3.242
   13    HA   ALA   2           HA       ALA   2  17.710   6.469   1.817
   14    HB1  ALA   2           HB1      ALA   2  16.108   6.641   4.387
   15    HB2  ALA   2           HB2      ALA   2  17.675   5.854   4.198
   16    HB3  ALA   2           HB3      ALA   2  16.259   5.205   3.373
   17    H    THR   3           HN       THR   3  16.225   6.192   0.236
   18    HA   THR   3           HA       THR   3  14.136   8.143   0.043
   19    HB   THR   3           HB       THR   3  13.710   6.862  -2.134
   20    HG1  THR   3           HG1      THR   3  15.290   5.421  -2.746
   21   HG21  THR   3          HG21      THR   3  15.068   8.905  -2.049
   22   HG22  THR   3          HG22      THR   3  15.720   7.753  -3.217
   23   HG23  THR   3          HG23      THR   3  16.489   7.943  -1.641
   24    H    LEU   4           HN       LEU   4  12.457   7.797   1.333
   25    HA   LEU   4           HA       LEU   4  11.303   5.101   1.462
   26    HB2  LEU   4           HB2      LEU   4  11.271   7.217   3.622
   27    HB3  LEU   4           HB1      LEU   4  10.584   5.614   3.734
   28    HG   LEU   4           HG       LEU   4  13.523   6.287   3.580
   29   HD11  LEU   4          HD11      LEU   4  13.593   5.436   5.872
   30   HD12  LEU   4          HD12      LEU   4  11.842   5.231   5.841
   31   HD13  LEU   4          HD13      LEU   4  12.544   6.846   5.717
   32   HD21  LEU   4          HD21      LEU   4  13.065   4.165   2.464
   33   HD22  LEU   4          HD22      LEU   4  12.169   3.603   3.874
   34   HD23  LEU   4          HD23      LEU   4  13.904   3.897   3.992
   35    H    LEU   5           HN       LEU   5   8.978   5.165   1.842
   36    HA   LEU   5           HA       LEU   5   7.724   7.241   0.279
   37    HB2  LEU   5           HB2      LEU   5   6.682   4.775   1.632
   38    HB3  LEU   5           HB1      LEU   5   5.674   5.877   0.715
   39    HG   LEU   5           HG       LEU   5   7.949   4.237  -0.403
   40   HD11  LEU   5          HD11      LEU   5   6.016   2.888   0.244
   41   HD12  LEU   5          HD12      LEU   5   6.166   2.986  -1.510
   42   HD13  LEU   5          HD13      LEU   5   4.958   3.961  -0.672
   43   HD21  LEU   5          HD21      LEU   5   7.109   5.001  -2.569
   44   HD22  LEU   5          HD22      LEU   5   7.640   6.357  -1.568
   45   HD23  LEU   5          HD23      LEU   5   5.919   6.009  -1.740
   46    H    THR   6           HN       THR   6   6.318   8.699   1.059
   47    HA   THR   6           HA       THR   6   6.249   8.982   3.956
   48    HB   THR   6           HB       THR   6   5.392  11.267   3.469
   49    HG1  THR   6           HG1      THR   6   5.919  10.547   0.742
   50   HG21  THR   6          HG21      THR   6   7.962  10.571   2.038
   51   HG22  THR   6          HG22      THR   6   7.802  10.927   3.758
   52   HG23  THR   6          HG23      THR   6   7.487  12.185   2.564
   53    H    THR   7           HN       THR   7   4.061  10.067   4.661
   54    HA   THR   7           HA       THR   7   1.938   8.288   4.316
   55    HB   THR   7           HB       THR   7   1.751  11.223   5.071
   56    HG1  THR   7           HG1      THR   7   2.989   9.122   6.331
   57   HG21  THR   7          HG21      THR   7   0.037   8.838   5.819
   58   HG22  THR   7          HG22      THR   7  -0.419  10.116   4.692
   59   HG23  THR   7          HG23      THR   7  -0.191  10.488   6.400
   60    H    ASP   8           HN       ASP   8   2.740  11.337   2.745
   61    HA   ASP   8           HA       ASP   8   0.513  11.734   1.115
   62    HB2  ASP   8           HB2      ASP   8   2.344  13.364   1.519
   63    HB3  ASP   8           HB1      ASP   8   3.391  12.401   0.486
   64    H    ASP   9           HN       ASP   9   3.483   9.959   0.470
   65    HA   ASP   9           HA       ASP   9   2.899   9.253  -2.231
   66    HB2  ASP   9           HB2      ASP   9   4.711   7.802  -0.288
   67    HB3  ASP   9           HB1      ASP   9   4.662   7.542  -2.021
   68    H    LEU  10           HN       LEU  10   2.439   7.643   0.829
   69    HA   LEU  10           HA       LEU  10   1.397   5.239  -0.226
   70    HB2  LEU  10           HB2      LEU  10   2.307   5.524   2.041
   71    HB3  LEU  10           HB1      LEU  10   0.939   6.528   2.457
   72    HG   LEU  10           HG       LEU  10  -0.536   4.546   2.008
   73   HD11  LEU  10          HD11      LEU  10   2.092   3.075   1.916
   74   HD12  LEU  10          HD12      LEU  10   0.958   3.283   0.579
   75   HD13  LEU  10          HD13      LEU  10   0.494   2.330   1.988
   76   HD21  LEU  10          HD21      LEU  10  -0.010   3.450   4.129
   77   HD22  LEU  10          HD22      LEU  10   0.075   5.205   4.264
   78   HD23  LEU  10          HD23      LEU  10   1.558   4.255   4.153
   79    H    ARG  11           HN       ARG  11  -0.031   8.270   0.819
   80    HA   ARG  11           HA       ARG  11  -2.729   7.687   0.848
   81    HB2  ARG  11           HB2      ARG  11  -1.483   9.880   1.434
   82    HB3  ARG  11           HB1      ARG  11  -1.708  10.282  -0.262
   83    HG2  ARG  11           HG2      ARG  11  -4.193   9.792   0.169
   84    HG3  ARG  11           HG1      ARG  11  -3.754   9.915   1.879
   85    HD2  ARG  11           HD2      ARG  11  -3.474  12.025  -0.256
   86    HD3  ARG  11           HD1      ARG  11  -4.545  12.053   1.137
   87    HE   ARG  11           HE       ARG  11  -2.622  12.348   2.532
   88   HH11  ARG  11          HH11      ARG  11  -2.021  12.729  -0.972
   89   HH12  ARG  11          HH12      ARG  11  -0.664  13.751  -0.726
   90   HH21  ARG  11          HH21      ARG  11  -0.786  13.872   2.775
   91   HH22  ARG  11          HH22      ARG  11   0.013  14.382   1.338
   92    H    ARG  12           HN       ARG  12  -0.844   9.017  -1.862
   93    HA   ARG  12           HA       ARG  12  -2.915   8.969  -3.734
   94    HB2  ARG  12           HB2      ARG  12  -1.186   9.096  -5.509
   95    HB3  ARG  12           HB1      ARG  12  -0.981  10.280  -4.231
   96    HG2  ARG  12           HG2      ARG  12   0.851   9.051  -3.303
   97    HG3  ARG  12           HG1      ARG  12   0.556   7.700  -4.396
   98    HD2  ARG  12           HD2      ARG  12   2.467   9.079  -5.098
   99    HD3  ARG  12           HD1      ARG  12   1.180   9.060  -6.295
  100    HE   ARG  12           HE       ARG  12   0.549  11.279  -5.123
  101   HH11  ARG  12          HH11      ARG  12   3.912  10.170  -5.594
  102   HH12  ARG  12          HH12      ARG  12   4.511  11.739  -5.872
  103   HH21  ARG  12          HH21      ARG  12   1.420  13.413  -5.514
  104   HH22  ARG  12          HH22      ARG  12   3.082  13.589  -5.885
  105    H    ALA  13           HN       ALA  13  -0.749   6.416  -2.775
  106    HA   ALA  13           HA       ALA  13  -1.333   4.659  -4.914
  107    HB1  ALA  13           HB1      ALA  13  -0.348   2.928  -3.500
  108    HB2  ALA  13           HB2      ALA  13  -0.407   4.020  -2.115
  109    HB3  ALA  13           HB3      ALA  13   0.638   4.390  -3.487
  110    H    LEU  14           HN       LEU  14  -2.610   4.917  -1.621
  111    HA   LEU  14           HA       LEU  14  -4.547   2.885  -1.996
  112    HB2  LEU  14           HB2      LEU  14  -4.177   5.002   0.090
  113    HB3  LEU  14           HB1      LEU  14  -5.668   4.088   0.045
  114    HG   LEU  14           HG       LEU  14  -4.168   3.178   1.707
  115   HD11  LEU  14          HD11      LEU  14  -4.088   0.851   1.003
  116   HD12  LEU  14          HD12      LEU  14  -4.431   1.353  -0.656
  117   HD13  LEU  14          HD13      LEU  14  -5.626   1.625   0.611
  118   HD21  LEU  14          HD21      LEU  14  -2.043   2.110   1.114
  119   HD22  LEU  14          HD22      LEU  14  -2.018   3.841   0.778
  120   HD23  LEU  14          HD23      LEU  14  -2.221   2.690  -0.543
  121    H    VAL  15           HN       VAL  15  -4.654   6.350  -2.452
  122    HA   VAL  15           HA       VAL  15  -7.383   6.451  -3.119
  123    HB   VAL  15           HB       VAL  15  -5.099   8.315  -3.866
  124   HG11  VAL  15          HG11      VAL  15  -6.786   9.954  -4.567
  125   HG12  VAL  15          HG12      VAL  15  -8.057   8.756  -4.318
  126   HG13  VAL  15          HG13      VAL  15  -6.851   8.514  -5.584
  127   HG21  VAL  15          HG21      VAL  15  -7.367   8.570  -1.905
  128   HG22  VAL  15          HG22      VAL  15  -6.142   9.797  -2.225
  129   HG23  VAL  15          HG23      VAL  15  -5.678   8.252  -1.514
  130    H    GLU  16           HN       GLU  16  -4.637   5.373  -4.946
  131    HA   GLU  16           HA       GLU  16  -5.684   5.709  -7.556
  132    HB2  GLU  16           HB2      GLU  16  -3.318   5.499  -7.227
  133    HB3  GLU  16           HB1      GLU  16  -3.502   3.936  -6.454
  134    HG2  GLU  16           HG2      GLU  16  -2.606   3.661  -8.664
  135    HG3  GLU  16           HG1      GLU  16  -4.230   2.990  -8.599
  136    H    SER  17           HN       SER  17  -5.434   2.727  -5.557
  137    HA   SER  17           HA       SER  17  -6.915   1.313  -7.531
  138    HB2  SER  17           HB2      SER  17  -6.507  -0.612  -5.747
  139    HB3  SER  17           HB1      SER  17  -5.202   0.089  -6.674
  140    HG   SER  17           HG       SER  17  -5.929   0.932  -4.067
  141    H    ALA  18           HN       ALA  18  -7.919   3.313  -5.179
  142    HA   ALA  18           HA       ALA  18 -10.492   1.919  -4.879
  143    HB1  ALA  18           HB1      ALA  18 -10.896   3.376  -2.937
  144    HB2  ALA  18           HB2      ALA  18  -9.327   4.142  -3.187
  145    HB3  ALA  18           HB3      ALA  18  -9.414   2.441  -2.731
  146    H    GLY  19           HN       GLY  19  -8.957   4.051  -6.740
  147    HA2  GLY  19           HA2      GLY  19 -10.625   6.354  -6.754
  148    HA3  GLY  19           HA1      GLY  19  -9.415   5.929  -7.954
  149    H    GLU  20           HN       GLU  20 -11.345   3.354  -7.714
  150    HA   GLU  20           HA       GLU  20 -12.864   4.028 -10.078
  151    HB2  GLU  20           HB2      GLU  20 -12.735   1.538  -8.403
  152    HB3  GLU  20           HB1      GLU  20 -13.588   1.639  -9.951
  153    HG2  GLU  20           HG2      GLU  20 -10.638   1.773  -9.383
  154    HG3  GLU  20           HG1      GLU  20 -11.509   0.535 -10.286
  155    H    THR  21           HN       THR  21 -13.139   4.601  -6.981
  156    HA   THR  21           HA       THR  21 -14.673   5.285  -5.543
  157    HB   THR  21           HB       THR  21 -16.677   5.207  -7.838
  158    HG1  THR  21           HG1      THR  21 -14.550   6.893  -7.136
  159   HG21  THR  21          HG21      THR  21 -17.745   7.062  -6.608
  160   HG22  THR  21          HG22      THR  21 -16.496   6.972  -5.368
  161   HG23  THR  21          HG23      THR  21 -17.633   5.639  -5.571
  162    H    ASP  22           HN       ASP  22 -14.033   2.959  -5.110
  163    HA   ASP  22           HA       ASP  22 -16.337   1.166  -5.007
  164    HB2  ASP  22           HB2      ASP  22 -13.421   0.724  -4.315
  165    HB3  ASP  22           HB1      ASP  22 -14.676  -0.456  -3.994
  166    H    GLY  23           HN       GLY  23 -17.471   0.919  -3.271
  167    HA2  GLY  23           HA2      GLY  23 -18.295   1.041  -1.159
  168    HA3  GLY  23           HA1      GLY  23 -16.668   0.626  -0.666
  169    H    THR  24           HN       THR  24 -15.425   2.088   0.170
  170    HA   THR  24           HA       THR  24 -16.494   4.769   0.628
  171    HB   THR  24           HB       THR  24 -16.833   3.620   2.698
  172    HG1  THR  24           HG1      THR  24 -16.083   5.487   3.402
  173   HG21  THR  24          HG21      THR  24 -15.058   2.402   3.922
  174   HG22  THR  24          HG22      THR  24 -13.964   2.656   2.564
  175   HG23  THR  24          HG23      THR  24 -15.403   1.657   2.359
  176    H    ASP  25           HN       ASP  25 -15.275   6.027  -0.546
  177    HA   ASP  25           HA       ASP  25 -12.573   5.352  -1.217
  178    HB2  ASP  25           HB2      ASP  25 -14.030   6.508  -2.848
  179    HB3  ASP  25           HB1      ASP  25 -14.123   7.896  -1.777
  180    H    LEU  26           HN       LEU  26 -11.294   5.361   0.349
  181    HA   LEU  26           HA       LEU  26 -11.199   6.675   2.701
  182    HB2  LEU  26           HB2      LEU  26  -8.759   6.080   2.733
  183    HB3  LEU  26           HB1      LEU  26  -9.875   4.776   2.401
  184    HG   LEU  26           HG       LEU  26  -9.278   5.343  -0.109
  185   HD11  LEU  26          HD11      LEU  26  -6.812   6.297   1.312
  186   HD12  LEU  26          HD12      LEU  26  -7.898   7.262   0.314
  187   HD13  LEU  26          HD13      LEU  26  -6.950   5.965  -0.417
  188   HD21  LEU  26          HD21      LEU  26  -7.472   3.789   1.726
  189   HD22  LEU  26          HD22      LEU  26  -7.525   3.634  -0.032
  190   HD23  LEU  26          HD23      LEU  26  -8.931   3.190   0.935
  191    H    SER  27           HN       SER  27  -9.670   7.805  -0.233
  192    HA   SER  27           HA       SER  27  -8.726   9.771  -0.874
  193    HB2  SER  27           HB2      SER  27 -10.304  11.755  -0.430
  194    HB3  SER  27           HB1      SER  27 -10.925  10.368  -1.319
  195    HG   SER  27           HG       SER  27 -11.986   9.688   0.482
  196    H    GLY  28           HN       GLY  28  -7.523   8.998   1.628
  197    HA2  GLY  28           HA2      GLY  28  -5.714  10.657   2.321
  198    HA3  GLY  28           HA1      GLY  28  -7.067  11.674   2.795
  199    H    ASP  29           HN       ASP  29  -8.686   9.589   3.926
  200    HA   ASP  29           HA       ASP  29  -7.000   9.016   6.252
  201    HB2  ASP  29           HB2      ASP  29  -8.990  10.446   6.727
  202    HB3  ASP  29           HB1      ASP  29 -10.026   9.121   6.187
  203    H    PHE  30           HN       PHE  30  -6.314   7.132   6.283
  204    HA   PHE  30           HA       PHE  30  -7.887   4.775   5.623
  205    HB2  PHE  30           HB2      PHE  30  -6.671   4.144   3.577
  206    HB3  PHE  30           HB1      PHE  30  -7.294   5.761   3.421
  207    HD1  PHE  30           HD2      PHE  30  -5.834   7.734   3.555
  208    HD2  PHE  30           HD1      PHE  30  -4.268   3.795   3.618
  209    HE1  PHE  30           HE2      PHE  30  -3.590   8.619   3.093
  210    HE2  PHE  30           HE1      PHE  30  -2.034   4.672   3.165
  211    HZ   PHE  30           HZ       PHE  30  -1.688   7.084   2.898
  212    H    LEU  31           HN       LEU  31  -5.034   6.330   6.796
  213    HA   LEU  31           HA       LEU  31  -3.063   4.475   6.529
  214    HB2  LEU  31           HB2      LEU  31  -2.720   6.789   6.977
  215    HB3  LEU  31           HB1      LEU  31  -3.384   6.631   8.591
  216    HG   LEU  31           HG       LEU  31  -1.448   5.207   9.207
  217   HD11  LEU  31          HD11      LEU  31   0.474   5.093   7.704
  218   HD12  LEU  31          HD12      LEU  31  -0.442   5.932   6.454
  219   HD13  LEU  31          HD13      LEU  31  -0.937   4.322   6.981
  220   HD21  LEU  31          HD21      LEU  31   0.188   7.018   9.228
  221   HD22  LEU  31          HD22      LEU  31  -1.427   7.602   9.632
  222   HD23  LEU  31          HD23      LEU  31  -0.761   7.891   8.025
  223    H    ASP  32           HN       ASP  32  -5.077   4.821   9.483
  224    HA   ASP  32           HA       ASP  32  -3.841   2.307  10.407
  225    HB2  ASP  32           HB2      ASP  32  -4.550   2.778  12.624
  226    HB3  ASP  32           HB1      ASP  32  -3.982   4.311  11.989
  227    H    LEU  33           HN       LEU  33  -6.175   2.860   8.441
  228    HA   LEU  33           HA       LEU  33  -8.302   1.399   9.737
  229    HB2  LEU  33           HB2      LEU  33  -8.060   2.656   6.995
  230    HB3  LEU  33           HB1      LEU  33  -9.438   1.686   7.464
  231    HG   LEU  33           HG       LEU  33  -9.969   3.364   9.237
  232   HD11  LEU  33          HD11      LEU  33  -8.949   5.576   9.182
  233   HD12  LEU  33          HD12      LEU  33  -7.777   5.011   7.990
  234   HD13  LEU  33          HD13      LEU  33  -7.777   4.332   9.618
  235   HD21  LEU  33          HD21      LEU  33 -10.806   5.088   7.722
  236   HD22  LEU  33          HD22      LEU  33 -11.075   3.465   7.085
  237   HD23  LEU  33          HD23      LEU  33  -9.771   4.460   6.443
  238    H    ARG  34           HN       ARG  34  -9.013  -0.635   9.090
  239    HA   ARG  34           HA       ARG  34  -6.848  -2.356   8.238
  240    HB2  ARG  34           HB2      ARG  34  -8.899  -2.719   9.980
  241    HB3  ARG  34           HB1      ARG  34  -9.664  -3.358   8.539
  242    HG2  ARG  34           HG2      ARG  34  -7.041  -4.363   9.654
  243    HG3  ARG  34           HG1      ARG  34  -8.610  -5.063  10.021
  244    HD2  ARG  34           HD2      ARG  34  -8.899  -5.745   7.738
  245    HD3  ARG  34           HD1      ARG  34  -7.480  -4.817   7.241
  246    HE   ARG  34           HE       ARG  34  -6.389  -6.446   8.990
  247   HH11  ARG  34          HH11      ARG  34  -8.990  -7.556   6.935
  248   HH12  ARG  34          HH12      ARG  34  -8.138  -8.858   6.231
  249   HH21  ARG  34          HH21      ARG  34  -5.168  -8.338   8.114
  250   HH22  ARG  34          HH22      ARG  34  -5.893  -9.290   6.906
  251    H    PHE  35           HN       PHE  35  -6.642  -3.212   6.214
  252    HA   PHE  35           HA       PHE  35  -7.516  -1.833   4.050
  253    HB2  PHE  35           HB2      PHE  35  -6.576  -4.664   4.177
  254    HB3  PHE  35           HB1      PHE  35  -6.994  -3.894   2.652
  255    HD1  PHE  35           HD2      PHE  35  -5.870  -1.538   2.308
  256    HD2  PHE  35           HD1      PHE  35  -4.433  -4.584   4.887
  257    HE1  PHE  35           HE2      PHE  35  -3.638  -0.537   2.245
  258    HE2  PHE  35           HE1      PHE  35  -2.194  -3.589   4.840
  259    HZ   PHE  35           HZ       PHE  35  -1.776  -1.603   3.359
  260    H    GLU  36           HN       GLU  36  -9.015  -4.893   4.966
  261    HA   GLU  36           HA       GLU  36 -10.967  -5.001   3.011
  262    HB2  GLU  36           HB2      GLU  36 -12.240  -6.420   4.489
  263    HB3  GLU  36           HB1      GLU  36 -10.523  -6.774   4.643
  264    HG2  GLU  36           HG2      GLU  36 -10.464  -5.347   6.657
  265    HG3  GLU  36           HG1      GLU  36 -12.215  -5.175   6.530
  266    H    ASP  37           HN       ASP  37 -10.869  -2.883   5.752
  267    HA   ASP  37           HA       ASP  37 -13.677  -2.252   5.624
  268    HB2  ASP  37           HB2      ASP  37 -12.544  -2.470   7.798
  269    HB3  ASP  37           HB1      ASP  37 -11.465  -1.154   7.369
  270    H    ILE  38           HN       ILE  38 -10.813  -1.226   4.170
  271    HA   ILE  38           HA       ILE  38 -12.159   1.215   3.301
  272    HB   ILE  38           HB       ILE  38  -9.975   1.955   2.303
  273   HG12  ILE  38          HG12      ILE  38  -8.817  -0.399   3.826
  274   HG13  ILE  38          HG11      ILE  38  -8.899  -0.277   2.079
  275   HG21  ILE  38          HG21      ILE  38 -10.668   2.819   4.430
  276   HG22  ILE  38          HG22      ILE  38  -8.917   2.600   4.412
  277   HG23  ILE  38          HG23      ILE  38  -9.942   1.447   5.263
  278   HD11  ILE  38          HD11      ILE  38  -7.364   1.641   2.169
  279   HD12  ILE  38          HD12      ILE  38  -6.679   0.172   2.859
  280   HD13  ILE  38          HD13      ILE  38  -7.262   1.456   3.923
  281    H    GLY  39           HN       GLY  39 -12.524  -1.642   2.526
  282    HA2  GLY  39           HA2      GLY  39 -13.489  -2.539   0.611
  283    HA3  GLY  39           HA1      GLY  39 -12.984  -1.109  -0.275
  284    H    TYR  40           HN       TYR  40 -10.475  -2.584   1.485
  285    HA   TYR  40           HA       TYR  40  -9.390  -3.602  -1.010
  286    HB2  TYR  40           HB2      TYR  40  -8.194  -2.547   1.511
  287    HB3  TYR  40           HB1      TYR  40  -7.236  -3.567   0.455
  288    HD1  TYR  40           HD2      TYR  40  -9.593  -0.677   0.037
  289    HD2  TYR  40           HD1      TYR  40  -5.851  -2.416  -0.921
  290    HE1  TYR  40           HE2      TYR  40  -9.092   1.229  -1.420
  291    HE2  TYR  40           HE1      TYR  40  -5.350  -0.527  -2.377
  292    HH   TYR  40           HH       TYR  40  -7.114   2.337  -2.428
  293    H    ASP  41           HN       ASP  41  -9.983  -5.603  -1.230
  294    HA   ASP  41           HA       ASP  41 -10.136  -7.484   0.999
  295    HB2  ASP  41           HB2      ASP  41 -10.406  -8.039  -1.972
  296    HB3  ASP  41           HB1      ASP  41 -10.895  -9.091  -0.656
  297    H    SER  42           HN       SER  42  -8.434  -7.015  -1.984
  298    HA   SER  42           HA       SER  42  -5.914  -8.049  -1.380
  299    HB2  SER  42           HB2      SER  42  -6.226 -10.281  -2.607
  300    HB3  SER  42           HB1      SER  42  -6.973 -10.201  -1.006
  301    H    LEU  43           HN       LEU  43  -8.537  -8.054  -3.667
  302    HA   LEU  43           HA       LEU  43  -7.269  -7.759  -6.126
  303    HB2  LEU  43           HB2      LEU  43  -9.636  -8.185  -5.581
  304    HB3  LEU  43           HB1      LEU  43  -9.824  -6.478  -5.211
  305    HG   LEU  43           HG       LEU  43  -9.248  -7.667  -7.950
  306   HD11  LEU  43          HD11      LEU  43 -11.536  -6.997  -8.474
  307   HD12  LEU  43          HD12      LEU  43 -11.762  -6.478  -6.803
  308   HD13  LEU  43          HD13      LEU  43 -11.477  -8.180  -7.167
  309   HD21  LEU  43          HD21      LEU  43  -9.725  -5.434  -8.833
  310   HD22  LEU  43          HD22      LEU  43  -8.343  -5.385  -7.737
  311   HD23  LEU  43          HD23      LEU  43  -9.920  -4.815  -7.192
  312    H    ALA  44           HN       ALA  44  -8.669  -5.158  -4.136
  313    HA   ALA  44           HA       ALA  44  -7.438  -3.114  -5.608
  314    HB1  ALA  44           HB1      ALA  44  -8.434  -3.010  -2.765
  315    HB2  ALA  44           HB2      ALA  44  -9.412  -2.751  -4.210
  316    HB3  ALA  44           HB3      ALA  44  -8.110  -1.625  -3.809
  317    H    LEU  45           HN       LEU  45  -6.330  -5.021  -2.922
  318    HA   LEU  45           HA       LEU  45  -4.219  -3.394  -2.036
  319    HB2  LEU  45           HB2      LEU  45  -5.031  -6.179  -1.661
  320    HB3  LEU  45           HB1      LEU  45  -3.316  -5.881  -1.466
  321    HG   LEU  45           HG       LEU  45  -5.467  -4.407   0.074
  322   HD11  LEU  45          HD11      LEU  45  -5.299  -6.861   0.599
  323   HD12  LEU  45          HD12      LEU  45  -4.758  -5.790   1.917
  324   HD13  LEU  45          HD13      LEU  45  -3.569  -6.583   0.893
  325   HD21  LEU  45          HD21      LEU  45  -3.402  -3.179  -0.225
  326   HD22  LEU  45          HD22      LEU  45  -2.504  -4.615   0.279
  327   HD23  LEU  45          HD23      LEU  45  -3.562  -3.786   1.437
  328    H    MET  46           HN       MET  46  -4.255  -6.043  -4.335
  329    HA   MET  46           HA       MET  46  -1.495  -6.000  -4.847
  330    HB2  MET  46           HB2      MET  46  -2.009  -7.476  -6.735
  331    HB3  MET  46           HB1      MET  46  -2.985  -7.895  -5.333
  332    HG2  MET  46           HG2      MET  46  -4.460  -8.085  -6.930
  333    HG3  MET  46           HG1      MET  46  -4.725  -6.422  -6.375
  334    HE1  MET  46           HE1      MET  46  -2.493  -7.423 -10.314
  335    HE2  MET  46           HE2      MET  46  -3.200  -8.648  -9.261
  336    HE3  MET  46           HE3      MET  46  -1.811  -7.709  -8.712
  337    H    GLU  47           HN       GLU  47  -4.141  -4.152  -6.113
  338    HA   GLU  47           HA       GLU  47  -2.854  -3.136  -8.422
  339    HB2  GLU  47           HB2      GLU  47  -5.376  -3.208  -7.535
  340    HB3  GLU  47           HB1      GLU  47  -4.994  -1.605  -6.963
  341    HG2  GLU  47           HG2      GLU  47  -4.927  -2.590  -9.817
  342    HG3  GLU  47           HG1      GLU  47  -6.141  -1.549  -9.097
  343    H    THR  48           HN       THR  48  -3.295  -1.998  -5.072
  344    HA   THR  48           HA       THR  48  -1.903   0.440  -5.133
  345    HB   THR  48           HB       THR  48  -1.864  -1.543  -2.844
  346    HG1  THR  48           HG1      THR  48  -4.015  -0.087  -3.912
  347   HG21  THR  48          HG21      THR  48  -1.969   0.472  -1.463
  348   HG22  THR  48          HG22      THR  48  -1.989   1.472  -2.915
  349   HG23  THR  48          HG23      THR  48  -0.565   0.504  -2.531
  350    H    ALA  49           HN       ALA  49  -0.852  -2.796  -4.098
  351    HA   ALA  49           HA       ALA  49   1.780  -2.216  -3.471
  352    HB1  ALA  49           HB1      ALA  49   2.175  -4.610  -3.553
  353    HB2  ALA  49           HB2      ALA  49   0.679  -4.849  -4.447
  354    HB3  ALA  49           HB3      ALA  49   0.626  -4.279  -2.778
  355    H    ALA  50           HN       ALA  50   0.555  -3.730  -6.476
  356    HA   ALA  50           HA       ALA  50   3.022  -3.932  -7.737
  357    HB1  ALA  50           HB1      ALA  50   1.796  -4.255  -9.802
  358    HB2  ALA  50           HB2      ALA  50   0.336  -3.596  -9.064
  359    HB3  ALA  50           HB3      ALA  50   1.010  -5.119  -8.481
  360    H    ARG  51           HN       ARG  51   0.860  -1.201  -7.504
  361    HA   ARG  51           HA       ARG  51   1.973   0.352  -9.589
  362    HB2  ARG  51           HB2      ARG  51  -0.203   0.913  -8.491
  363    HB3  ARG  51           HB1      ARG  51   0.668   1.332  -7.021
  364    HG2  ARG  51           HG2      ARG  51   0.144   3.360  -8.148
  365    HG3  ARG  51           HG1      ARG  51   1.878   3.084  -8.333
  366    HD2  ARG  51           HD2      ARG  51   1.418   3.542 -10.514
  367    HD3  ARG  51           HD1      ARG  51   0.997   1.822 -10.491
  368    HE   ARG  51           HE       ARG  51  -1.112   3.735  -9.941
  369   HH11  ARG  51          HH11      ARG  51   0.153   1.260 -12.114
  370   HH12  ARG  51          HH12      ARG  51  -1.069   1.442 -13.285
  371   HH21  ARG  51          HH21      ARG  51  -2.773   4.011 -11.514
  372   HH22  ARG  51          HH22      ARG  51  -2.844   3.078 -12.929
  373    H    LEU  52           HN       LEU  52   2.528   0.403  -6.091
  374    HA   LEU  52           HA       LEU  52   4.694   2.236  -6.254
  375    HB2  LEU  52           HB2      LEU  52   3.865   0.405  -4.021
  376    HB3  LEU  52           HB1      LEU  52   5.106   1.638  -3.886
  377    HG   LEU  52           HG       LEU  52   2.181   2.137  -4.455
  378   HD11  LEU  52          HD11      LEU  52   2.608   1.451  -2.166
  379   HD12  LEU  52          HD12      LEU  52   2.161   3.159  -2.248
  380   HD13  LEU  52          HD13      LEU  52   3.850   2.696  -2.022
  381   HD21  LEU  52          HD21      LEU  52   2.749   4.509  -4.206
  382   HD22  LEU  52          HD22      LEU  52   3.605   3.783  -5.568
  383   HD23  LEU  52          HD23      LEU  52   4.454   4.084  -4.052
  384    H    GLU  53           HN       GLU  53   4.544  -1.280  -6.057
  385    HA   GLU  53           HA       GLU  53   7.234  -1.792  -5.698
  386    HB2  GLU  53           HB2      GLU  53   5.169  -3.391  -7.195
  387    HB3  GLU  53           HB1      GLU  53   6.791  -3.975  -6.870
  388    HG2  GLU  53           HG2      GLU  53   6.321  -3.741  -4.439
  389    HG3  GLU  53           HG1      GLU  53   4.680  -3.274  -4.859
  390    H    SER  54           HN       SER  54   5.431  -1.632  -8.759
  391    HA   SER  54           HA       SER  54   7.644  -2.088 -10.434
  392    HB2  SER  54           HB2      SER  54   5.105  -0.610 -11.102
  393    HB3  SER  54           HB1      SER  54   6.208  -1.373 -12.245
  394    HG   SER  54           HG       SER  54   4.400  -2.517 -10.439
  395    H    ARG  55           HN       ARG  55   6.283   0.874  -9.119
  396    HA   ARG  55           HA       ARG  55   7.548   2.654 -10.865
  397    HB2  ARG  55           HB2      ARG  55   5.598   3.276  -9.486
  398    HB3  ARG  55           HB1      ARG  55   6.591   3.177  -8.039
  399    HG2  ARG  55           HG2      ARG  55   7.955   5.025  -8.816
  400    HG3  ARG  55           HG1      ARG  55   7.045   5.081 -10.324
  401    HD2  ARG  55           HD2      ARG  55   5.018   5.691  -9.081
  402    HD3  ARG  55           HD1      ARG  55   5.920   5.621  -7.564
  403    HE   ARG  55           HE       ARG  55   7.395   7.317  -8.943
  404   HH11  ARG  55          HH11      ARG  55   3.833   7.362  -8.366
  405   HH12  ARG  55          HH12      ARG  55   3.684   9.018  -8.655
  406   HH21  ARG  55          HH21      ARG  55   7.129   9.656  -9.242
  407   HH22  ARG  55          HH22      ARG  55   5.598  10.356  -9.094
  408    H    TYR  56           HN       TYR  56   8.644   1.314  -7.766
  409    HA   TYR  56           HA       TYR  56  11.130   2.826  -8.182
  410    HB2  TYR  56           HB2      TYR  56  10.364   1.433  -5.600
  411    HB3  TYR  56           HB1      TYR  56  11.702   2.494  -5.898
  412    HD1  TYR  56           HD2      TYR  56  11.407   4.905  -6.322
  413    HD2  TYR  56           HD1      TYR  56   8.156   2.401  -5.192
  414    HE1  TYR  56           HE2      TYR  56  10.115   6.883  -5.710
  415    HE2  TYR  56           HE1      TYR  56   6.845   4.376  -4.568
  416    HH   TYR  56           HH       TYR  56   7.786   7.534  -5.415
  417    H    GLY  57           HN       GLY  57   9.920  -0.281  -8.526
  418    HA2  GLY  57           HA2      GLY  57  11.069  -2.064  -9.471
  419    HA3  GLY  57           HA1      GLY  57  12.584  -1.229  -9.152
  420    H    VAL  58           HN       VAL  58  10.046  -1.928  -6.858
  421    HA   VAL  58           HA       VAL  58  11.934  -3.651  -5.428
  422    HB   VAL  58           HB       VAL  58  10.765  -3.083  -3.304
  423   HG11  VAL  58          HG11      VAL  58  12.782  -1.883  -3.906
  424   HG12  VAL  58          HG12      VAL  58  11.661  -0.817  -3.059
  425   HG13  VAL  58          HG13      VAL  58  11.833  -0.705  -4.810
  426   HG21  VAL  58          HG21      VAL  58   8.582  -2.459  -4.212
  427   HG22  VAL  58          HG22      VAL  58   9.294  -1.041  -4.983
  428   HG23  VAL  58          HG23      VAL  58   9.239  -1.152  -3.224
  429    H    SER  59           HN       SER  59  10.529  -5.136  -3.753
  430    HA   SER  59           HA       SER  59   8.190  -6.048  -5.149
  431    HB2  SER  59           HB2      SER  59   9.098  -8.431  -5.033
  432    HB3  SER  59           HB1      SER  59   9.765  -7.370  -6.273
  433    HG   SER  59           HG       SER  59  11.394  -8.471  -5.245
  434    H    ILE  60           HN       ILE  60   6.671  -6.571  -3.884
  435    HA   ILE  60           HA       ILE  60   7.161  -7.051  -1.024
  436    HB   ILE  60           HB       ILE  60   4.591  -6.482  -2.531
  437   HG12  ILE  60          HG12      ILE  60   6.110  -4.706  -0.627
  438   HG13  ILE  60          HG11      ILE  60   6.157  -4.559  -2.384
  439   HG21  ILE  60          HG21      ILE  60   3.542  -6.224  -0.321
  440   HG22  ILE  60          HG22      ILE  60   5.049  -6.729   0.446
  441   HG23  ILE  60          HG23      ILE  60   4.157  -7.859  -0.572
  442   HD11  ILE  60          HD11      ILE  60   3.757  -4.222  -0.611
  443   HD12  ILE  60          HD12      ILE  60   3.748  -4.126  -2.376
  444   HD13  ILE  60          HD13      ILE  60   4.660  -2.947  -1.430
  445    HA   PRO  61           HA       PRO  61   6.541 -11.443  -1.952
  446    HB2  PRO  61           HB2      PRO  61   5.863 -11.326   0.965
  447    HB3  PRO  61           HB1      PRO  61   6.905 -12.475   0.105
  448    HG2  PRO  61           HG2      PRO  61   7.986 -10.555   1.571
  449    HG3  PRO  61           HG1      PRO  61   8.682 -10.965  -0.009
  450    HD2  PRO  61           HD2      PRO  61   6.978  -8.638   0.768
  451    HD3  PRO  61           HD1      PRO  61   8.344  -8.707  -0.368
  452    H    ASP  62           HN       ASP  62   4.704 -12.289  -2.659
  453    HA   ASP  62           HA       ASP  62   2.265 -10.974  -2.571
  454    HB2  ASP  62           HB2      ASP  62   1.258 -12.981  -3.609
  455    HB3  ASP  62           HB1      ASP  62   2.760 -12.515  -4.383
  456    H    ASP  63           HN       ASP  63   3.498 -13.381  -0.400
  457    HA   ASP  63           HA       ASP  63   0.987 -13.862   0.891
  458    HB2  ASP  63           HB2      ASP  63   3.805 -14.359   1.862
  459    HB3  ASP  63           HB1      ASP  63   2.364 -14.825   2.748
  460    H    VAL  64           HN       VAL  64   3.388 -11.402   1.126
  461    HA   VAL  64           HA       VAL  64   2.631 -10.703   3.785
  462    HB   VAL  64           HB       VAL  64   4.455  -9.196   1.866
  463   HG11  VAL  64          HG11      VAL  64   3.465  -7.658   3.507
  464   HG12  VAL  64          HG12      VAL  64   5.185  -7.903   3.813
  465   HG13  VAL  64          HG13      VAL  64   3.984  -8.722   4.814
  466   HG21  VAL  64          HG21      VAL  64   5.318 -11.360   2.585
  467   HG22  VAL  64          HG22      VAL  64   5.069 -10.905   4.270
  468   HG23  VAL  64          HG23      VAL  64   6.247 -10.035   3.284
  469    H    ALA  65           HN       ALA  65   1.570  -9.832   0.616
  470    HA   ALA  65           HA       ALA  65   0.181  -7.479   1.370
  471    HB1  ALA  65           HB1      ALA  65  -0.527  -9.396  -0.886
  472    HB2  ALA  65           HB2      ALA  65   0.549  -8.011  -1.028
  473    HB3  ALA  65           HB3      ALA  65  -1.150  -7.769  -0.711
  474    H    GLY  66           HN       GLY  66  -0.375 -10.769   2.068
  475    HA2  GLY  66           HA2      GLY  66  -3.116 -10.243   2.946
  476    HA3  GLY  66           HA1      GLY  66  -2.335 -11.820   2.874
  477    H    ARG  67           HN       ARG  67  -0.049  -9.978   4.073
  478    HA   ARG  67           HA       ARG  67  -0.692 -10.673   6.841
  479    HB2  ARG  67           HB2      ARG  67   1.934 -10.167   5.443
  480    HB3  ARG  67           HB1      ARG  67   1.791 -10.266   7.194
  481    HG2  ARG  67           HG2      ARG  67   1.009 -12.537   7.036
  482    HG3  ARG  67           HG1      ARG  67   0.985 -12.433   5.274
  483    HD2  ARG  67           HD2      ARG  67   2.976 -13.600   6.185
  484    HD3  ARG  67           HD1      ARG  67   3.360 -12.197   5.191
  485    HE   ARG  67           HE       ARG  67   3.188 -11.653   8.009
  486   HH11  ARG  67          HH11      ARG  67   5.376 -12.794   5.445
  487   HH12  ARG  67          HH12      ARG  67   6.778 -12.154   6.149
  488   HH21  ARG  67          HH21      ARG  67   5.113 -10.793   8.978
  489   HH22  ARG  67          HH22      ARG  67   6.648 -11.035   8.252
  490    H    VAL  68           HN       VAL  68  -0.381  -8.010   4.783
  491    HA   VAL  68           HA       VAL  68   0.161  -6.164   6.911
  492    HB   VAL  68           HB       VAL  68  -0.232  -4.385   5.151
  493   HG11  VAL  68          HG11      VAL  68   1.764  -6.548   4.501
  494   HG12  VAL  68          HG12      VAL  68   1.991  -5.224   5.645
  495   HG13  VAL  68          HG13      VAL  68   1.830  -4.885   3.922
  496   HG21  VAL  68          HG21      VAL  68  -0.336  -5.094   2.798
  497   HG22  VAL  68          HG22      VAL  68  -1.759  -5.638   3.684
  498   HG23  VAL  68          HG23      VAL  68  -0.464  -6.778   3.309
  499    H    ASP  69           HN       ASP  69  -1.246  -5.433   8.248
  500    HA   ASP  69           HA       ASP  69  -4.073  -6.020   7.868
  501    HB2  ASP  69           HB2      ASP  69  -2.902  -6.477  10.021
  502    HB3  ASP  69           HB1      ASP  69  -2.665  -4.748  10.225
  503    H    THR  70           HN       THR  70  -1.969  -3.233   8.128
  504    HA   THR  70           HA       THR  70  -4.196  -1.488   7.362
  505    HB   THR  70           HB       THR  70  -3.102   0.263   8.806
  506    HG1  THR  70           HG1      THR  70  -1.874  -1.871  10.212
  507   HG21  THR  70          HG21      THR  70  -4.166  -2.181  10.244
  508   HG22  THR  70          HG22      THR  70  -5.140  -0.883   9.554
  509   HG23  THR  70          HG23      THR  70  -4.076  -0.555  10.921
  510    HA   PRO  71           HA       PRO  71  -1.368   0.193   4.297
  511    HB2  PRO  71           HB2      PRO  71  -2.205   2.843   5.397
  512    HB3  PRO  71           HB1      PRO  71  -2.157   2.293   3.714
  513    HG2  PRO  71           HG2      PRO  71  -4.469   2.443   4.953
  514    HG3  PRO  71           HG1      PRO  71  -4.107   1.031   3.940
  515    HD2  PRO  71           HD2      PRO  71  -4.052   1.285   6.923
  516    HD3  PRO  71           HD1      PRO  71  -4.647  -0.051   5.914
  517    H    ARG  72           HN       ARG  72  -1.418   1.630   7.534
  518    HA   ARG  72           HA       ARG  72   1.095   2.729   7.747
  519    HB2  ARG  72           HB2      ARG  72  -0.445   2.910   9.572
  520    HB3  ARG  72           HB1      ARG  72  -0.569   1.171   9.734
  521    HG2  ARG  72           HG2      ARG  72   0.704   2.109  11.567
  522    HG3  ARG  72           HG1      ARG  72   1.735   1.092  10.566
  523    HD2  ARG  72           HD2      ARG  72   2.976   3.040  11.134
  524    HD3  ARG  72           HD1      ARG  72   2.540   3.165   9.434
  525    HE   ARG  72           HE       ARG  72   0.627   4.482  11.041
  526   HH11  ARG  72          HH11      ARG  72   3.926   4.853   9.710
  527   HH12  ARG  72          HH12      ARG  72   3.986   6.530   9.956
  528   HH21  ARG  72          HH21      ARG  72   0.745   6.822  11.410
  529   HH22  ARG  72          HH22      ARG  72   2.124   7.683  10.955
  530    H    GLU  73           HN       GLU  73   0.194  -0.658   8.198
  531    HA   GLU  73           HA       GLU  73   2.795  -1.637   8.749
  532    HB2  GLU  73           HB2      GLU  73   0.581  -2.748   9.273
  533    HB3  GLU  73           HB1      GLU  73   0.476  -3.170   7.572
  534    HG2  GLU  73           HG2      GLU  73   1.278  -5.057   8.781
  535    HG3  GLU  73           HG1      GLU  73   2.604  -4.417   7.809
  536    H    LEU  74           HN       LEU  74   0.830  -1.497   5.814
  537    HA   LEU  74           HA       LEU  74   2.601  -2.936   4.126
  538    HB2  LEU  74           HB2      LEU  74   0.130  -2.675   3.804
  539    HB3  LEU  74           HB1      LEU  74   0.374  -1.000   3.411
  540    HG   LEU  74           HG       LEU  74  -0.137  -2.643   1.514
  541   HD11  LEU  74          HD11      LEU  74   1.369  -1.521  -0.077
  542   HD12  LEU  74          HD12      LEU  74   2.335  -0.912   1.268
  543   HD13  LEU  74          HD13      LEU  74   0.666  -0.374   1.066
  544   HD21  LEU  74          HD21      LEU  74   2.764  -3.353   1.937
  545   HD22  LEU  74          HD22      LEU  74   1.784  -3.828   0.547
  546   HD23  LEU  74          HD23      LEU  74   1.377  -4.419   2.157
  547    H    LEU  75           HN       LEU  75   2.247   0.490   4.802
  548    HA   LEU  75           HA       LEU  75   3.928   1.641   2.922
  549    HB2  LEU  75           HB2      LEU  75   2.554   2.930   4.446
  550    HB3  LEU  75           HB1      LEU  75   3.478   2.354   5.816
  551    HG   LEU  75           HG       LEU  75   5.454   3.579   4.958
  552   HD11  LEU  75          HD11      LEU  75   3.512   4.664   2.944
  553   HD12  LEU  75          HD12      LEU  75   4.896   3.622   2.608
  554   HD13  LEU  75          HD13      LEU  75   5.150   5.257   3.217
  555   HD21  LEU  75          HD21      LEU  75   4.645   5.812   5.546
  556   HD22  LEU  75          HD22      LEU  75   4.021   4.581   6.645
  557   HD23  LEU  75          HD23      LEU  75   2.981   5.248   5.387
  558    H    ASP  76           HN       ASP  76   4.711   0.456   6.153
  559    HA   ASP  76           HA       ASP  76   7.458   1.119   6.034
  560    HB2  ASP  76           HB2      ASP  76   6.143   0.821   8.129
  561    HB3  ASP  76           HB1      ASP  76   6.140  -0.913   7.826
  562    H    LEU  77           HN       LEU  77   5.633  -1.664   5.132
  563    HA   LEU  77           HA       LEU  77   7.742  -3.517   4.893
  564    HB2  LEU  77           HB2      LEU  77   5.226  -3.972   4.880
  565    HB3  LEU  77           HB1      LEU  77   5.215  -3.416   3.226
  566    HG   LEU  77           HG       LEU  77   5.147  -5.888   3.454
  567   HD11  LEU  77          HD11      LEU  77   6.010  -4.978   1.394
  568   HD12  LEU  77          HD12      LEU  77   6.860  -6.460   1.830
  569   HD13  LEU  77          HD13      LEU  77   7.629  -4.893   2.087
  570   HD21  LEU  77          HD21      LEU  77   7.149  -7.094   4.151
  571   HD22  LEU  77          HD22      LEU  77   6.481  -6.112   5.456
  572   HD23  LEU  77          HD23      LEU  77   7.913  -5.565   4.586
  573    H    ILE  78           HN       ILE  78   6.281  -1.207   2.598
  574    HA   ILE  78           HA       ILE  78   8.005  -1.957   0.460
  575    HB   ILE  78           HB       ILE  78   6.457   0.648   0.768
  576   HG12  ILE  78          HG12      ILE  78   5.779  -1.966  -0.567
  577   HG13  ILE  78          HG11      ILE  78   4.965  -1.246   0.810
  578   HG21  ILE  78          HG21      ILE  78   6.716   0.852  -1.676
  579   HG22  ILE  78          HG22      ILE  78   7.682  -0.622  -1.701
  580   HG23  ILE  78          HG23      ILE  78   8.289   0.814  -0.878
  581   HD11  ILE  78          HD11      ILE  78   3.629  -0.988  -1.170
  582   HD12  ILE  78          HD12      ILE  78   4.965  -0.229  -2.023
  583   HD13  ILE  78          HD13      ILE  78   4.206   0.601  -0.659
  584    H    ASN  79           HN       ASN  79   8.103   0.444   2.971
  585    HA   ASN  79           HA       ASN  79  10.373   1.821   2.063
  586    HB2  ASN  79           HB2      ASN  79   9.284   1.447   4.839
  587    HB3  ASN  79           HB1      ASN  79  10.680   2.456   4.520
  588   HD21  ASN  79          HD21      ASN  79   8.285   3.345   5.633
  589   HD22  ASN  79          HD22      ASN  79   7.544   4.468   4.540
  590    H    GLY  80           HN       GLY  80  10.072  -1.107   3.926
  591    HA2  GLY  80           HA2      GLY  80  12.839  -1.419   4.516
  592    HA3  GLY  80           HA1      GLY  80  11.638  -2.706   4.497
  593    H    ALA  81           HN       ALA  81  10.828  -2.276   1.802
  594    HA   ALA  81           HA       ALA  81  12.820  -3.793   0.428
  595    HB1  ALA  81           HB1      ALA  81  10.297  -2.474  -0.632
  596    HB2  ALA  81           HB2      ALA  81  10.411  -4.115  -0.021
  597    HB3  ALA  81           HB3      ALA  81  11.265  -3.665  -1.494
  598    H    LEU  82           HN       LEU  82  11.714  -0.474   0.428
  599    HA   LEU  82           HA       LEU  82  13.212   0.528  -1.721
  600    HB2  LEU  82           HB2      LEU  82  12.152   1.927   0.723
  601    HB3  LEU  82           HB1      LEU  82  12.904   2.756  -0.618
  602    HG   LEU  82           HG       LEU  82  10.350   1.159  -0.743
  603   HD11  LEU  82          HD11      LEU  82  10.115   3.244   0.477
  604   HD12  LEU  82          HD12      LEU  82   9.305   3.342  -1.089
  605   HD13  LEU  82          HD13      LEU  82  10.869   4.122  -0.853
  606   HD21  LEU  82          HD21      LEU  82  11.748   2.816  -2.839
  607   HD22  LEU  82          HD22      LEU  82  10.154   2.081  -3.003
  608   HD23  LEU  82          HD23      LEU  82  11.582   1.058  -2.841
  609    H    ALA  83           HN       ALA  83  14.173  -0.320   1.452
  610    HA   ALA  83           HA       ALA  83  16.456   1.302   1.701
  611    HB1  ALA  83           HB1      ALA  83  16.028  -1.491   2.773
  612    HB2  ALA  83           HB2      ALA  83  15.543   0.005   3.573
  613    HB3  ALA  83           HB3      ALA  83  17.253  -0.347   3.324
  614    H    GLU  84           HN       GLU  84  15.833  -1.634  -0.078
  615    HA   GLU  84           HA       GLU  84  18.611  -2.006  -0.819
  616    HB2  GLU  84           HB2      GLU  84  16.090  -3.490  -1.558
  617    HB3  GLU  84           HB1      GLU  84  17.685  -3.911  -2.161
  618    HG2  GLU  84           HG2      GLU  84  16.899  -3.858   0.741
  619    HG3  GLU  84           HG1      GLU  84  16.967  -5.304  -0.270
  620    H    ALA  85           HN       ALA  85  16.163  -0.077  -1.785
  621    HA   ALA  85           HA       ALA  85  17.025   0.014  -4.582
  622    HB1  ALA  85           HB1      ALA  85  14.498   1.043  -3.270
  623    HB2  ALA  85           HB2      ALA  85  14.621  -0.391  -4.289
  624    HB3  ALA  85           HB3      ALA  85  14.900   1.208  -4.979
  625    H    ALA  86           HN       ALA  86  16.318   2.574  -5.169
  626    HA   ALA  86           HA       ALA  86  17.447   4.336  -3.177
  627    HB1  ALA  86           HB1      ALA  86  18.792   3.967  -5.859
  628    HB2  ALA  86           HB2      ALA  86  19.456   3.481  -4.299
  629    HB3  ALA  86           HB3      ALA  86  19.208   5.189  -4.658
  630   H281  PSR  87          H28A      PSR  87  -8.172 -11.201  -5.890
  631   H282  PSR  87          H28B      PSR  87  -7.410  -9.979  -4.871
  632   H301  PSR  87          H30A      PSR  87  -5.002 -10.217  -7.490
  633   H302  PSR  87          H30B      PSR  87  -5.852  -9.177  -6.353
  634   H303  PSR  87          H30C      PSR  87  -6.767 -10.082  -7.569
  635   H311  PSR  87          H31A      PSR  87  -4.887 -10.125  -4.471
  636   H312  PSR  87          H31B      PSR  87  -3.933 -11.248  -5.429
  637   H313  PSR  87          H31C      PSR  87  -4.993 -11.855  -4.158
  638   H321  PSR  87          H32A      PSR  87  -5.048 -12.705  -7.239
  639   H331  PSR  87          H33A      PSR  87  -7.590 -13.330  -7.391
  640   H361  PSR  87          H36A      PSR  87  -4.511 -13.625  -4.902
  641   H371  PSR  87          H37A      PSR  87  -6.386 -15.511  -3.719
  642   H372  PSR  87          H37B      PSR  87  -5.125 -16.237  -4.689
  643   H381  PSR  87          H38A      PSR  87  -4.355 -16.314  -2.495
  644   H382  PSR  87          H38B      PSR  87  -3.421 -15.015  -3.286
  645   H411  PSR  87          H41A      PSR  87  -2.999 -13.703  -1.795
  646   H421  PSR  87          H42A      PSR  87  -4.995 -12.737   0.158
  647   H422  PSR  87          H42B      PSR  87  -3.256 -12.812   0.401
  648   H431  PSR  87          H43A      PSR  87  -3.705 -10.534  -0.104
  649   H432  PSR  87          H43B      PSR  87  -4.712 -11.030  -1.465
  650   HC21  PSR  87          H2A       PSR  87  -1.806  -8.378  -4.058
  651   HC22  PSR  87          H2B       PSR  87  -2.250  -9.978  -4.627
  652   HC31  PSR  87          H3A       PSR  87  -0.317 -10.958  -3.512
  653   HC32  PSR  87          H3B       PSR  87   0.144  -9.358  -2.900
  654   HC41  PSR  87          H4C       PSR  87   1.411  -9.950  -4.903
  655   HC42  PSR  87          H4A       PSR  87   0.361  -8.564  -5.198
  656   HC43  PSR  87          H4B       PSR  87  -0.098 -10.157  -5.798
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  18.561   8.662   7.965
    2    H2   MET   1           HT2      MET   1  18.321   9.023   6.335
    3    H3   MET   1           HT3      MET   1  18.860   7.488   6.790
    4    HA   MET   1           HA       MET   1  16.835   6.974   7.830
    5    HB2  MET   1           HB2      MET   1  16.066   9.803   7.101
    6    HB3  MET   1           HB1      MET   1  14.886   8.578   7.537
    7    HG2  MET   1           HG2      MET   1  15.353   9.971   9.434
    8    HG3  MET   1           HG1      MET   1  15.964   8.347   9.732
    9    HE1  MET   1           HE1      MET   1  17.525  11.278   7.565
   10    HE2  MET   1           HE2      MET   1  18.603  12.014   8.752
   11    HE3  MET   1           HE3      MET   1  16.857  12.089   8.983
   12    H    ALA   2           HN       ALA   2  18.188   7.614   4.945
   13    HA   ALA   2           HA       ALA   2  17.925   6.892   2.890
   14    HB1  ALA   2           HB1      ALA   2  15.713   5.150   4.000
   15    HB2  ALA   2           HB2      ALA   2  17.427   4.737   3.987
   16    HB3  ALA   2           HB3      ALA   2  16.553   4.916   2.466
   17    H    THR   3           HN       THR   3  15.915   6.360   1.184
   18    HA   THR   3           HA       THR   3  14.230   8.727   1.448
   19    HB   THR   3           HB       THR   3  15.735   8.885  -0.492
   20    HG1  THR   3           HG1      THR   3  14.303   9.346  -2.032
   21   HG21  THR   3          HG21      THR   3  16.182   6.527  -0.939
   22   HG22  THR   3          HG22      THR   3  15.618   7.332  -2.404
   23   HG23  THR   3          HG23      THR   3  14.522   6.299  -1.486
   24    H    LEU   4           HN       LEU   4  12.342   8.123   2.213
   25    HA   LEU   4           HA       LEU   4  11.323   5.505   1.398
   26    HB2  LEU   4           HB2      LEU   4  10.936   6.865   4.065
   27    HB3  LEU   4           HB1      LEU   4  10.251   5.327   3.590
   28    HG   LEU   4           HG       LEU   4  13.169   5.937   4.056
   29   HD11  LEU   4          HD11      LEU   4  11.876   5.721   6.086
   30   HD12  LEU   4          HD12      LEU   4  12.955   4.339   5.884
   31   HD13  LEU   4          HD13      LEU   4  11.230   4.175   5.533
   32   HD21  LEU   4          HD21      LEU   4  13.574   3.552   3.651
   33   HD22  LEU   4          HD22      LEU   4  12.946   4.357   2.214
   34   HD23  LEU   4          HD23      LEU   4  11.884   3.344   3.190
   35    H    LEU   5           HN       LEU   5   8.929   5.400   1.851
   36    HA   LEU   5           HA       LEU   5   7.679   7.603   0.467
   37    HB2  LEU   5           HB2      LEU   5   6.728   4.913   1.381
   38    HB3  LEU   5           HB1      LEU   5   5.710   6.077   0.557
   39    HG   LEU   5           HG       LEU   5   8.196   4.851  -0.634
   40   HD11  LEU   5          HD11      LEU   5   6.448   3.171  -0.250
   41   HD12  LEU   5          HD12      LEU   5   6.640   3.524  -1.970
   42   HD13  LEU   5          HD13      LEU   5   5.281   4.205  -1.073
   43   HD21  LEU   5          HD21      LEU   5   5.957   6.480  -1.771
   44   HD22  LEU   5          HD22      LEU   5   7.286   5.773  -2.698
   45   HD23  LEU   5          HD23      LEU   5   7.607   7.039  -1.502
   46    H    THR   6           HN       THR   6   6.137   8.850   1.360
   47    HA   THR   6           HA       THR   6   5.838   8.611   4.250
   48    HB   THR   6           HB       THR   6   5.034  10.975   4.142
   49    HG1  THR   6           HG1      THR   6   5.709  10.687   1.356
   50   HG21  THR   6          HG21      THR   6   7.406  10.512   4.568
   51   HG22  THR   6          HG22      THR   6   7.214  11.990   3.623
   52   HG23  THR   6          HG23      THR   6   7.719  10.497   2.833
   53    H    THR   7           HN       THR   7   3.546   9.409   4.978
   54    HA   THR   7           HA       THR   7   1.568   7.744   3.977
   55    HB   THR   7           HB       THR   7   1.146  10.373   5.437
   56    HG1  THR   7           HG1      THR   7   2.041   9.413   7.079
   57   HG21  THR   7          HG21      THR   7  -0.869   9.253   6.316
   58   HG22  THR   7          HG22      THR   7  -0.491   7.820   5.362
   59   HG23  THR   7          HG23      THR   7  -0.916   9.329   4.555
   60    H    ASP   8           HN       ASP   8   2.457  11.030   3.147
   61    HA   ASP   8           HA       ASP   8   0.380  11.733   1.396
   62    HB2  ASP   8           HB2      ASP   8   3.318  12.481   1.252
   63    HB3  ASP   8           HB1      ASP   8   2.083  13.188   0.225
   64    H    ASP   9           HN       ASP   9   3.380  10.035   0.781
   65    HA   ASP   9           HA       ASP   9   2.998   9.625  -2.026
   66    HB2  ASP   9           HB2      ASP   9   4.666   8.047  -0.059
   67    HB3  ASP   9           HB1      ASP   9   4.695   7.816  -1.797
   68    H    LEU  10           HN       LEU  10   2.276   7.820   0.836
   69    HA   LEU  10           HA       LEU  10   1.507   5.407  -0.355
   70    HB2  LEU  10           HB2      LEU  10   2.106   5.578   1.955
   71    HB3  LEU  10           HB1      LEU  10   0.784   6.670   2.267
   72    HG   LEU  10           HG       LEU  10  -0.792   4.785   1.770
   73   HD11  LEU  10          HD11      LEU  10   0.687   3.432   0.375
   74   HD12  LEU  10          HD12      LEU  10   0.063   2.506   1.739
   75   HD13  LEU  10          HD13      LEU  10   1.717   3.109   1.772
   76   HD21  LEU  10          HD21      LEU  10  -0.419   3.628   3.892
   77   HD22  LEU  10          HD22      LEU  10  -0.209   5.373   4.051
   78   HD23  LEU  10          HD23      LEU  10   1.203   4.317   3.982
   79    H    ARG  11           HN       ARG  11  -0.319   8.338   0.402
   80    HA   ARG  11           HA       ARG  11  -2.910   7.402   0.131
   81    HB2  ARG  11           HB2      ARG  11  -1.855  10.114  -0.621
   82    HB3  ARG  11           HB1      ARG  11  -3.558   9.692  -0.663
   83    HG2  ARG  11           HG2      ARG  11  -3.445   9.162   1.722
   84    HG3  ARG  11           HG1      ARG  11  -1.778   9.741   1.774
   85    HD2  ARG  11           HD2      ARG  11  -4.285  11.293   1.138
   86    HD3  ARG  11           HD1      ARG  11  -3.196  11.516   2.508
   87    HE   ARG  11           HE       ARG  11  -2.654  12.187  -0.284
   88   HH11  ARG  11          HH11      ARG  11  -1.996  12.605   3.169
   89   HH12  ARG  11          HH12      ARG  11  -0.806  13.795   2.952
   90   HH21  ARG  11          HH21      ARG  11  -0.985  13.850  -0.599
   91   HH22  ARG  11          HH22      ARG  11  -0.229  14.488   0.801
   92    H    ARG  12           HN       ARG  12  -0.890   8.575  -2.514
   93    HA   ARG  12           HA       ARG  12  -2.905   8.294  -4.413
   94    HB2  ARG  12           HB2      ARG  12  -1.153   8.284  -6.152
   95    HB3  ARG  12           HB1      ARG  12  -1.039   9.601  -4.998
   96    HG2  ARG  12           HG2      ARG  12   0.787   8.440  -3.862
   97    HG3  ARG  12           HG1      ARG  12   0.670   7.125  -5.033
   98    HD2  ARG  12           HD2      ARG  12   2.460   8.827  -5.507
   99    HD3  ARG  12           HD1      ARG  12   1.313   8.552  -6.825
  100    HE   ARG  12           HE       ARG  12   0.220  10.588  -6.239
  101   HH11  ARG  12          HH11      ARG  12   3.498  10.186  -4.926
  102   HH12  ARG  12          HH12      ARG  12   3.694  11.830  -4.586
  103   HH21  ARG  12          HH21      ARG  12   0.433  12.823  -5.628
  104   HH22  ARG  12          HH22      ARG  12   1.862  13.374  -4.901
  105    H    ALA  13           HN       ALA  13  -0.795   5.854  -3.137
  106    HA   ALA  13           HA       ALA  13  -1.324   3.991  -5.227
  107    HB1  ALA  13           HB1      ALA  13   0.629   3.782  -3.747
  108    HB2  ALA  13           HB2      ALA  13  -0.364   2.325  -3.723
  109    HB3  ALA  13           HB3      ALA  13  -0.447   3.472  -2.385
  110    H    LEU  14           HN       LEU  14  -2.749   4.552  -2.051
  111    HA   LEU  14           HA       LEU  14  -4.754   2.535  -2.240
  112    HB2  LEU  14           HB2      LEU  14  -4.588   5.065  -0.586
  113    HB3  LEU  14           HB1      LEU  14  -5.980   4.017  -0.526
  114    HG   LEU  14           HG       LEU  14  -4.576   3.672   1.402
  115   HD11  LEU  14          HD11      LEU  14  -4.205   1.268   1.304
  116   HD12  LEU  14          HD12      LEU  14  -4.430   1.311  -0.439
  117   HD13  LEU  14          HD13      LEU  14  -5.761   1.743   0.632
  118   HD21  LEU  14          HD21      LEU  14  -2.431   4.347   0.520
  119   HD22  LEU  14          HD22      LEU  14  -2.381   2.914  -0.507
  120   HD23  LEU  14          HD23      LEU  14  -2.321   2.746   1.247
  121    H    VAL  15           HN       VAL  15  -4.766   5.986  -2.804
  122    HA   VAL  15           HA       VAL  15  -7.406   6.305  -3.554
  123    HB   VAL  15           HB       VAL  15  -4.899   7.917  -4.081
  124   HG11  VAL  15          HG11      VAL  15  -7.712   8.727  -4.817
  125   HG12  VAL  15          HG12      VAL  15  -6.417   8.384  -5.965
  126   HG13  VAL  15          HG13      VAL  15  -6.287   9.762  -4.870
  127   HG21  VAL  15          HG21      VAL  15  -5.976   9.454  -2.498
  128   HG22  VAL  15          HG22      VAL  15  -5.712   7.847  -1.822
  129   HG23  VAL  15          HG23      VAL  15  -7.325   8.320  -2.358
  130    H    GLU  16           HN       GLU  16  -4.604   5.924  -5.785
  131    HA   GLU  16           HA       GLU  16  -6.072   5.910  -8.148
  132    HB2  GLU  16           HB2      GLU  16  -3.482   4.582  -7.435
  133    HB3  GLU  16           HB1      GLU  16  -4.071   4.600  -9.072
  134    HG2  GLU  16           HG2      GLU  16  -3.330   6.973  -7.371
  135    HG3  GLU  16           HG1      GLU  16  -2.416   6.319  -8.725
  136    H    SER  17           HN       SER  17  -5.126   3.104  -6.134
  137    HA   SER  17           HA       SER  17  -6.163   1.196  -7.981
  138    HB2  SER  17           HB2      SER  17  -5.462   0.785  -5.073
  139    HB3  SER  17           HB1      SER  17  -5.478  -0.463  -6.323
  140    HG   SER  17           HG       SER  17  -3.621   1.447  -5.726
  141    H    ALA  18           HN       ALA  18  -7.557   2.932  -5.308
  142    HA   ALA  18           HA       ALA  18  -9.808   1.154  -5.013
  143    HB1  ALA  18           HB1      ALA  18  -9.496   3.938  -3.947
  144    HB2  ALA  18           HB2      ALA  18  -8.801   2.533  -3.182
  145    HB3  ALA  18           HB3      ALA  18 -10.565   2.667  -3.341
  146    H    GLY  19           HN       GLY  19  -8.984   3.523  -7.228
  147    HA2  GLY  19           HA2      GLY  19 -10.270   4.499  -8.938
  148    HA3  GLY  19           HA1      GLY  19 -11.713   3.758  -8.229
  149    H    GLU  20           HN       GLU  20  -9.673   5.379  -6.165
  150    HA   GLU  20           HA       GLU  20 -11.706   7.248  -5.495
  151    HB2  GLU  20           HB2      GLU  20 -10.390   6.185  -3.754
  152    HB3  GLU  20           HB1      GLU  20  -8.904   6.771  -4.475
  153    HG2  GLU  20           HG2      GLU  20  -9.382   8.070  -2.543
  154    HG3  GLU  20           HG1      GLU  20  -9.623   9.076  -3.966
  155    H    THR  21           HN       THR  21 -11.928   8.986  -6.580
  156    HA   THR  21           HA       THR  21  -9.523  10.482  -7.395
  157    HB   THR  21           HB       THR  21 -12.238  10.753  -8.739
  158    HG1  THR  21           HG1      THR  21 -10.776   8.628  -8.734
  159   HG21  THR  21          HG21      THR  21 -10.878  11.661 -10.586
  160   HG22  THR  21          HG22      THR  21  -9.410  11.372  -9.651
  161   HG23  THR  21          HG23      THR  21 -10.584  12.568  -9.101
  162    H    ASP  22           HN       ASP  22 -10.431  10.516  -4.936
  163    HA   ASP  22           HA       ASP  22 -11.089  11.657  -3.158
  164    HB2  ASP  22           HB2      ASP  22  -9.562  13.423  -4.064
  165    HB3  ASP  22           HB1      ASP  22 -10.938  14.156  -4.876
  166    H    GLY  23           HN       GLY  23 -12.968  10.485  -3.418
  167    HA2  GLY  23           HA2      GLY  23 -15.302  12.276  -3.632
  168    HA3  GLY  23           HA1      GLY  23 -15.341  10.591  -4.157
  169    H    THR  24           HN       THR  24 -13.443  11.365  -1.487
  170    HA   THR  24           HA       THR  24 -13.382  10.822   0.604
  171    HB   THR  24           HB       THR  24 -15.347  11.275   2.082
  172    HG1  THR  24           HG1      THR  24 -16.693  11.227  -0.328
  173   HG21  THR  24          HG21      THR  24 -13.809  13.067   1.494
  174   HG22  THR  24          HG22      THR  24 -15.454  13.689   1.617
  175   HG23  THR  24          HG23      THR  24 -14.735  13.406   0.033
  176    H    ASP  25           HN       ASP  25 -13.520   8.591  -1.011
  177    HA   ASP  25           HA       ASP  25 -15.120   6.742   0.599
  178    HB2  ASP  25           HB2      ASP  25 -15.025   6.412  -1.913
  179    HB3  ASP  25           HB1      ASP  25 -13.302   6.074  -1.753
  180    H    LEU  26           HN       LEU  26 -11.872   7.545  -0.307
  181    HA   LEU  26           HA       LEU  26 -10.999   6.679   2.361
  182    HB2  LEU  26           HB2      LEU  26  -9.181   6.602  -0.103
  183    HB3  LEU  26           HB1      LEU  26  -8.755   6.158   1.524
  184    HG   LEU  26           HG       LEU  26 -10.459   4.250   1.233
  185   HD11  LEU  26          HD11      LEU  26 -11.538   5.086  -0.763
  186   HD12  LEU  26          HD12      LEU  26 -10.774   3.526  -1.079
  187   HD13  LEU  26          HD13      LEU  26 -10.007   5.018  -1.634
  188   HD21  LEU  26          HD21      LEU  26  -7.907   4.297  -0.370
  189   HD22  LEU  26          HD22      LEU  26  -8.769   2.852   0.158
  190   HD23  LEU  26          HD23      LEU  26  -8.050   3.935   1.350
  191    H    SER  27           HN       SER  27  -9.876   8.416  -0.485
  192    HA   SER  27           HA       SER  27  -8.896  10.448  -0.839
  193    HB2  SER  27           HB2      SER  27 -10.937  11.205   1.154
  194    HB3  SER  27           HB1      SER  27 -10.208  12.326   0.001
  195    HG   SER  27           HG       SER  27 -11.399   9.987  -1.025
  196    H    GLY  28           HN       GLY  28  -7.570   8.943   1.239
  197    HA2  GLY  28           HA2      GLY  28  -5.549   9.967   2.222
  198    HA3  GLY  28           HA1      GLY  28  -6.638  11.201   2.852
  199    H    ASP  29           HN       ASP  29  -8.717   9.355   3.659
  200    HA   ASP  29           HA       ASP  29  -7.424   8.529   6.123
  201    HB2  ASP  29           HB2      ASP  29  -9.448   9.787   6.461
  202    HB3  ASP  29           HB1      ASP  29 -10.364   8.677   5.444
  203    H    PHE  30           HN       PHE  30  -6.473   6.783   6.002
  204    HA   PHE  30           HA       PHE  30  -7.927   4.310   5.766
  205    HB2  PHE  30           HB2      PHE  30  -6.286   3.370   4.060
  206    HB3  PHE  30           HB1      PHE  30  -7.470   4.471   3.395
  207    HD1  PHE  30           HD1      PHE  30  -3.988   4.174   4.544
  208    HD2  PHE  30           HD2      PHE  30  -6.761   6.416   2.289
  209    HE1  PHE  30           HE1      PHE  30  -2.135   5.484   3.626
  210    HE2  PHE  30           HE2      PHE  30  -4.910   7.751   1.346
  211    HZ   PHE  30           HZ       PHE  30  -2.582   7.270   2.050
  212    H    LEU  31           HN       LEU  31  -5.137   6.149   6.627
  213    HA   LEU  31           HA       LEU  31  -3.094   4.349   6.882
  214    HB2  LEU  31           HB2      LEU  31  -2.882   6.763   6.933
  215    HB3  LEU  31           HB1      LEU  31  -3.625   6.815   8.519
  216    HG   LEU  31           HG       LEU  31  -1.678   5.471   9.367
  217   HD11  LEU  31          HD11      LEU  31  -0.545   6.122   6.654
  218   HD12  LEU  31          HD12      LEU  31  -0.955   4.518   7.259
  219   HD13  LEU  31          HD13      LEU  31   0.351   5.433   8.008
  220   HD21  LEU  31          HD21      LEU  31  -1.069   8.158   8.133
  221   HD22  LEU  31          HD22      LEU  31  -0.155   7.390   9.430
  222   HD23  LEU  31          HD23      LEU  31  -1.826   7.880   9.701
  223    H    ASP  32           HN       ASP  32  -5.590   5.037   9.267
  224    HA   ASP  32           HA       ASP  32  -4.171   3.475  11.303
  225    HB2  ASP  32           HB2      ASP  32  -5.086   5.605  12.008
  226    HB3  ASP  32           HB1      ASP  32  -6.681   5.160  11.423
  227    H    LEU  33           HN       LEU  33  -6.786   3.223   9.140
  228    HA   LEU  33           HA       LEU  33  -8.112   1.066  10.563
  229    HB2  LEU  33           HB2      LEU  33  -8.684   2.349   7.897
  230    HB3  LEU  33           HB1      LEU  33  -9.708   1.185   8.715
  231    HG   LEU  33           HG       LEU  33  -9.052   3.928   9.788
  232   HD11  LEU  33          HD11      LEU  33 -11.335   4.502   9.158
  233   HD12  LEU  33          HD12      LEU  33 -11.525   2.917   8.406
  234   HD13  LEU  33          HD13      LEU  33 -10.366   4.072   7.749
  235   HD21  LEU  33          HD21      LEU  33 -11.063   1.854  10.661
  236   HD22  LEU  33          HD22      LEU  33 -10.883   3.472  11.339
  237   HD23  LEU  33          HD23      LEU  33  -9.586   2.291  11.518
  238    H    ARG  34           HN       ARG  34  -8.410  -1.014   9.579
  239    HA   ARG  34           HA       ARG  34  -6.246  -1.862   7.898
  240    HB2  ARG  34           HB2      ARG  34  -8.538  -3.249   9.170
  241    HB3  ARG  34           HB1      ARG  34  -7.865  -3.977   7.722
  242    HG2  ARG  34           HG2      ARG  34  -5.605  -3.758   8.952
  243    HG3  ARG  34           HG1      ARG  34  -6.615  -3.583  10.402
  244    HD2  ARG  34           HD2      ARG  34  -7.661  -5.686  10.030
  245    HD3  ARG  34           HD1      ARG  34  -6.980  -5.758   8.400
  246    HE   ARG  34           HE       ARG  34  -5.190  -5.859  10.710
  247   HH11  ARG  34          HH11      ARG  34  -6.728  -7.473   7.941
  248   HH12  ARG  34          HH12      ARG  34  -5.555  -8.701   7.825
  249   HH21  ARG  34          HH21      ARG  34  -3.549  -7.573  10.516
  250   HH22  ARG  34          HH22      ARG  34  -3.747  -8.768   9.309
  251    H    PHE  35           HN       PHE  35  -6.524  -2.889   5.877
  252    HA   PHE  35           HA       PHE  35  -7.761  -1.387   3.921
  253    HB2  PHE  35           HB2      PHE  35  -7.024  -4.313   3.854
  254    HB3  PHE  35           HB1      PHE  35  -7.310  -3.300   2.428
  255    HD1  PHE  35           HD2      PHE  35  -5.765  -1.314   2.093
  256    HD2  PHE  35           HD1      PHE  35  -4.987  -4.440   4.865
  257    HE1  PHE  35           HE2      PHE  35  -3.394  -0.666   2.159
  258    HE2  PHE  35           HE1      PHE  35  -2.657  -3.805   4.955
  259    HZ   PHE  35           HZ       PHE  35  -1.829  -1.915   3.592
  260    H    GLU  36           HN       GLU  36  -8.834  -4.377   5.374
  261    HA   GLU  36           HA       GLU  36 -11.234  -4.790   4.106
  262    HB2  GLU  36           HB2      GLU  36 -10.717  -5.310   7.037
  263    HB3  GLU  36           HB1      GLU  36 -11.972  -6.050   6.061
  264    HG2  GLU  36           HG2      GLU  36 -10.365  -7.698   6.177
  265    HG3  GLU  36           HG1      GLU  36 -10.025  -6.940   4.626
  266    H    ASP  37           HN       ASP  37 -10.555  -2.329   6.470
  267    HA   ASP  37           HA       ASP  37 -13.362  -1.809   7.077
  268    HB2  ASP  37           HB2      ASP  37 -11.434  -1.538   8.743
  269    HB3  ASP  37           HB1      ASP  37 -10.965  -0.117   7.826
  270    H    ILE  38           HN       ILE  38 -10.840  -0.714   4.984
  271    HA   ILE  38           HA       ILE  38 -12.354   1.671   4.240
  272    HB   ILE  38           HB       ILE  38 -10.367   2.380   2.943
  273   HG12  ILE  38          HG12      ILE  38  -9.051  -0.099   4.093
  274   HG13  ILE  38          HG11      ILE  38  -9.488   0.087   2.409
  275   HG21  ILE  38          HG21      ILE  38 -10.596   3.109   5.239
  276   HG22  ILE  38          HG22      ILE  38  -8.895   2.840   4.856
  277   HG23  ILE  38          HG23      ILE  38  -9.787   1.649   5.809
  278   HD11  ILE  38          HD11      ILE  38  -7.439   1.680   3.927
  279   HD12  ILE  38          HD12      ILE  38  -7.880   1.941   2.237
  280   HD13  ILE  38          HD13      ILE  38  -7.127   0.423   2.731
  281    H    GLY  39           HN       GLY  39 -13.049  -1.098   3.503
  282    HA2  GLY  39           HA2      GLY  39 -14.077  -2.129   1.734
  283    HA3  GLY  39           HA1      GLY  39 -14.034  -0.573   0.925
  284    H    TYR  40           HN       TYR  40 -11.220  -2.430   1.951
  285    HA   TYR  40           HA       TYR  40 -10.408  -2.466  -0.838
  286    HB2  TYR  40           HB2      TYR  40  -9.029  -2.068   1.636
  287    HB3  TYR  40           HB1      TYR  40  -8.288  -3.396   0.749
  288    HD1  TYR  40           HD2      TYR  40  -9.994  -0.552  -0.751
  289    HD2  TYR  40           HD1      TYR  40  -6.289  -2.382   0.154
  290    HE1  TYR  40           HE2      TYR  40  -8.860   1.063  -2.171
  291    HE2  TYR  40           HE1      TYR  40  -5.137  -0.781  -1.265
  292    HH   TYR  40           HH       TYR  40  -6.833   1.961  -2.609
  293    H    ASP  41           HN       ASP  41 -10.896  -4.195  -1.924
  294    HA   ASP  41           HA       ASP  41 -10.681  -6.756  -0.598
  295    HB2  ASP  41           HB2      ASP  41 -11.721  -6.017  -3.329
  296    HB3  ASP  41           HB1      ASP  41 -11.400  -7.686  -2.870
  297    H    SER  42           HN       SER  42  -9.726  -8.466  -2.163
  298    HA   SER  42           HA       SER  42  -7.048  -8.360  -1.865
  299    HB2  SER  42           HB2      SER  42  -7.013 -10.296  -3.470
  300    HB3  SER  42           HB1      SER  42  -8.188 -10.425  -2.158
  301    H    LEU  43           HN       LEU  43  -8.668  -7.735  -5.001
  302    HA   LEU  43           HA       LEU  43  -6.254  -7.380  -6.419
  303    HB2  LEU  43           HB2      LEU  43  -8.464  -8.001  -7.421
  304    HB3  LEU  43           HB1      LEU  43  -9.013  -6.368  -7.152
  305    HG   LEU  43           HG       LEU  43  -8.397  -6.918  -9.518
  306   HD11  LEU  43          HD11      LEU  43  -7.164  -4.871 -10.001
  307   HD12  LEU  43          HD12      LEU  43  -6.797  -4.689  -8.283
  308   HD13  LEU  43          HD13      LEU  43  -8.465  -4.600  -8.841
  309   HD21  LEU  43          HD21      LEU  43  -6.027  -7.016 -10.126
  310   HD22  LEU  43          HD22      LEU  43  -6.501  -8.365  -9.094
  311   HD23  LEU  43          HD23      LEU  43  -5.594  -7.012  -8.415
  312    H    ALA  44           HN       ALA  44  -8.551  -4.990  -5.135
  313    HA   ALA  44           HA       ALA  44  -7.122  -2.724  -5.967
  314    HB1  ALA  44           HB1      ALA  44  -8.916  -2.993  -3.557
  315    HB2  ALA  44           HB2      ALA  44  -9.449  -2.640  -5.201
  316    HB3  ALA  44           HB3      ALA  44  -8.436  -1.485  -4.334
  317    H    LEU  45           HN       LEU  45  -6.845  -4.714  -3.099
  318    HA   LEU  45           HA       LEU  45  -5.156  -3.069  -1.554
  319    HB2  LEU  45           HB2      LEU  45  -6.410  -5.376  -1.091
  320    HB3  LEU  45           HB1      LEU  45  -4.858  -6.040  -1.531
  321    HG   LEU  45           HG       LEU  45  -5.642  -4.451   0.864
  322   HD11  LEU  45          HD11      LEU  45  -4.103  -6.956   0.444
  323   HD12  LEU  45          HD12      LEU  45  -5.742  -6.785   1.106
  324   HD13  LEU  45          HD13      LEU  45  -4.330  -6.157   1.995
  325   HD21  LEU  45          HD21      LEU  45  -2.793  -4.760  -0.066
  326   HD22  LEU  45          HD22      LEU  45  -3.346  -4.158   1.515
  327   HD23  LEU  45          HD23      LEU  45  -3.734  -3.259   0.048
  328    H    MET  46           HN       MET  46  -4.446  -5.804  -3.642
  329    HA   MET  46           HA       MET  46  -1.643  -5.585  -3.427
  330    HB2  MET  46           HB2      MET  46  -1.479  -7.237  -5.163
  331    HB3  MET  46           HB1      MET  46  -2.755  -7.670  -4.043
  332    HG2  MET  46           HG2      MET  46  -3.791  -8.135  -6.013
  333    HG3  MET  46           HG1      MET  46  -4.218  -6.425  -5.764
  334    HE1  MET  46           HE1      MET  46  -0.798  -7.659  -8.614
  335    HE2  MET  46           HE2      MET  46  -1.707  -8.835  -7.663
  336    HE3  MET  46           HE3      MET  46  -0.668  -7.659  -6.854
  337    H    GLU  47           HN       GLU  47  -3.881  -4.200  -5.771
  338    HA   GLU  47           HA       GLU  47  -1.909  -3.441  -7.636
  339    HB2  GLU  47           HB2      GLU  47  -4.385  -3.615  -8.084
  340    HB3  GLU  47           HB1      GLU  47  -4.599  -2.124  -7.180
  341    HG2  GLU  47           HG2      GLU  47  -3.322  -0.896  -8.791
  342    HG3  GLU  47           HG1      GLU  47  -2.907  -2.378  -9.647
  343    H    THR  48           HN       THR  48  -3.031  -2.088  -4.724
  344    HA   THR  48           HA       THR  48  -2.012   0.528  -4.819
  345    HB   THR  48           HB       THR  48  -2.328  -1.438  -2.542
  346    HG1  THR  48           HG1      THR  48  -4.265  -1.026  -3.576
  347   HG21  THR  48          HG21      THR  48  -2.079   1.578  -2.427
  348   HG22  THR  48          HG22      THR  48  -0.860   0.426  -1.889
  349   HG23  THR  48          HG23      THR  48  -2.415   0.518  -1.057
  350    H    ALA  49           HN       ALA  49  -0.654  -2.447  -3.413
  351    HA   ALA  49           HA       ALA  49   1.924  -1.496  -2.892
  352    HB1  ALA  49           HB1      ALA  49   1.059  -3.571  -1.924
  353    HB2  ALA  49           HB2      ALA  49   2.580  -3.832  -2.800
  354    HB3  ALA  49           HB3      ALA  49   1.056  -4.305  -3.536
  355    H    ALA  50           HN       ALA  50   0.607  -3.291  -5.639
  356    HA   ALA  50           HA       ALA  50   2.853  -3.747  -7.141
  357    HB1  ALA  50           HB1      ALA  50   0.090  -3.147  -8.160
  358    HB2  ALA  50           HB2      ALA  50   0.653  -4.710  -7.576
  359    HB3  ALA  50           HB3      ALA  50   1.361  -4.004  -9.029
  360    H    ARG  51           HN       ARG  51   0.821  -0.881  -7.121
  361    HA   ARG  51           HA       ARG  51   1.981   0.433  -9.302
  362    HB2  ARG  51           HB2      ARG  51  -0.158   1.071  -8.141
  363    HB3  ARG  51           HB1      ARG  51   0.807   1.702  -6.815
  364    HG2  ARG  51           HG2      ARG  51   0.086   3.504  -8.249
  365    HG3  ARG  51           HG1      ARG  51   1.838   3.312  -8.368
  366    HD2  ARG  51           HD2      ARG  51   1.553   2.019 -10.425
  367    HD3  ARG  51           HD1      ARG  51  -0.193   2.216 -10.310
  368    HE   ARG  51           HE       ARG  51   0.964   4.753 -10.290
  369   HH11  ARG  51          HH11      ARG  51   0.586   2.013 -12.518
  370   HH12  ARG  51          HH12      ARG  51   0.623   2.985 -13.917
  371   HH21  ARG  51          HH21      ARG  51   1.054   6.060 -12.210
  372   HH22  ARG  51          HH22      ARG  51   0.956   5.312 -13.746
  373    H    LEU  52           HN       LEU  52   2.677   0.555  -5.853
  374    HA   LEU  52           HA       LEU  52   4.867   2.339  -6.108
  375    HB2  LEU  52           HB2      LEU  52   4.084   0.539  -3.820
  376    HB3  LEU  52           HB1      LEU  52   5.314   1.784  -3.738
  377    HG   LEU  52           HG       LEU  52   2.369   2.264  -4.240
  378   HD11  LEU  52          HD11      LEU  52   2.794   1.581  -1.960
  379   HD12  LEU  52          HD12      LEU  52   2.377   3.293  -2.030
  380   HD13  LEU  52          HD13      LEU  52   4.057   2.801  -1.811
  381   HD21  LEU  52          HD21      LEU  52   3.768   3.916  -5.374
  382   HD22  LEU  52          HD22      LEU  52   4.640   4.221  -3.871
  383   HD23  LEU  52          HD23      LEU  52   2.929   4.637  -3.999
  384    H    GLU  53           HN       GLU  53   4.602  -1.192  -5.907
  385    HA   GLU  53           HA       GLU  53   7.241  -1.960  -5.523
  386    HB2  GLU  53           HB2      GLU  53   5.243  -3.266  -7.387
  387    HB3  GLU  53           HB1      GLU  53   6.750  -3.983  -6.876
  388    HG2  GLU  53           HG2      GLU  53   5.864  -4.020  -4.552
  389    HG3  GLU  53           HG1      GLU  53   4.345  -3.391  -5.184
  390    H    SER  54           HN       SER  54   5.540  -1.635  -8.560
  391    HA   SER  54           HA       SER  54   7.750  -2.165 -10.199
  392    HB2  SER  54           HB2      SER  54   5.377  -2.462 -10.853
  393    HB3  SER  54           HB1      SER  54   5.219  -0.713 -10.958
  394    HG   SER  54           HG       SER  54   6.432  -2.524 -12.642
  395    H    ARG  55           HN       ARG  55   6.492   0.899  -8.960
  396    HA   ARG  55           HA       ARG  55   8.004   2.490 -10.736
  397    HB2  ARG  55           HB2      ARG  55   6.154   3.565  -9.606
  398    HB3  ARG  55           HB1      ARG  55   6.869   3.237  -8.024
  399    HG2  ARG  55           HG2      ARG  55   8.786   4.669  -8.624
  400    HG3  ARG  55           HG1      ARG  55   8.015   5.026 -10.155
  401    HD2  ARG  55           HD2      ARG  55   6.307   6.283  -9.100
  402    HD3  ARG  55           HD1      ARG  55   6.742   5.663  -7.499
  403    HE   ARG  55           HE       ARG  55   9.010   6.836  -8.548
  404   HH11  ARG  55          HH11      ARG  55   5.795   8.147  -7.670
  405   HH12  ARG  55          HH12      ARG  55   6.472   9.582  -7.052
  406   HH21  ARG  55          HH21      ARG  55   9.829   8.726  -7.752
  407   HH22  ARG  55          HH22      ARG  55   8.832   9.949  -7.095
  408    H    TYR  56           HN       TYR  56   8.805   1.090  -7.605
  409    HA   TYR  56           HA       TYR  56  11.344   2.531  -7.752
  410    HB2  TYR  56           HB2      TYR  56  10.168   1.110  -5.361
  411    HB3  TYR  56           HB1      TYR  56  11.643   2.065  -5.387
  412    HD1  TYR  56           HD2      TYR  56  11.409   4.545  -6.178
  413    HD2  TYR  56           HD1      TYR  56   8.155   2.182  -4.819
  414    HE1  TYR  56           HE2      TYR  56  10.142   6.588  -5.676
  415    HE2  TYR  56           HE1      TYR  56   6.876   4.217  -4.314
  416    HH   TYR  56           HH       TYR  56   7.751   7.235  -5.452
  417    H    GLY  57           HN       GLY  57  10.275  -0.292  -8.788
  418    HA2  GLY  57           HA2      GLY  57  11.444  -2.068  -9.677
  419    HA3  GLY  57           HA1      GLY  57  12.923  -1.311  -9.112
  420    H    VAL  58           HN       VAL  58  10.305  -2.057  -6.966
  421    HA   VAL  58           HA       VAL  58  11.917  -4.245  -5.856
  422    HB   VAL  58           HB       VAL  58  11.037  -3.685  -3.592
  423   HG11  VAL  58          HG11      VAL  58  12.497  -1.422  -4.945
  424   HG12  VAL  58          HG12      VAL  58  13.227  -2.870  -4.249
  425   HG13  VAL  58          HG13      VAL  58  12.419  -1.700  -3.204
  426   HG21  VAL  58          HG21      VAL  58   9.946  -1.202  -4.937
  427   HG22  VAL  58          HG22      VAL  58   9.965  -1.501  -3.198
  428   HG23  VAL  58          HG23      VAL  58   8.985  -2.515  -4.258
  429    H    SER  59           HN       SER  59  10.388  -5.670  -4.335
  430    HA   SER  59           HA       SER  59   7.688  -5.676  -5.321
  431    HB2  SER  59           HB2      SER  59   9.051  -7.042  -6.974
  432    HB3  SER  59           HB1      SER  59   9.352  -8.180  -5.664
  433    HG   SER  59           HG       SER  59   6.714  -7.433  -6.076
  434    H    ILE  60           HN       ILE  60   6.270  -6.754  -4.024
  435    HA   ILE  60           HA       ILE  60   7.233  -7.528  -1.347
  436    HB   ILE  60           HB       ILE  60   4.464  -6.791  -2.350
  437   HG12  ILE  60          HG12      ILE  60   6.343  -5.260  -0.539
  438   HG13  ILE  60          HG11      ILE  60   5.942  -4.849  -2.205
  439   HG21  ILE  60          HG21      ILE  60   5.332  -7.443   0.462
  440   HG22  ILE  60          HG22      ILE  60   4.281  -8.415  -0.564
  441   HG23  ILE  60          HG23      ILE  60   3.744  -6.830  -0.005
  442   HD11  ILE  60          HD11      ILE  60   4.023  -4.920   0.106
  443   HD12  ILE  60          HD12      ILE  60   3.625  -4.485  -1.557
  444   HD13  ILE  60          HD13      ILE  60   4.720  -3.473  -0.617
  445    HA   PRO  61           HA       PRO  61   6.232 -11.847  -2.365
  446    HB2  PRO  61           HB2      PRO  61   5.550 -11.853   0.548
  447    HB3  PRO  61           HB1      PRO  61   6.557 -12.986  -0.371
  448    HG2  PRO  61           HG2      PRO  61   7.679 -11.201   1.218
  449    HG3  PRO  61           HG1      PRO  61   8.387 -11.558  -0.371
  450    HD2  PRO  61           HD2      PRO  61   6.769  -9.206   0.506
  451    HD3  PRO  61           HD1      PRO  61   8.161  -9.270  -0.597
  452    H    ASP  62           HN       ASP  62   4.346 -12.692  -2.997
  453    HA   ASP  62           HA       ASP  62   1.971 -11.226  -3.055
  454    HB2  ASP  62           HB2      ASP  62   2.371 -14.197  -3.498
  455    HB3  ASP  62           HB1      ASP  62   0.847 -13.359  -3.755
  456    H    ASP  63           HN       ASP  63   2.921 -13.846  -0.927
  457    HA   ASP  63           HA       ASP  63   0.362 -14.011   0.362
  458    HB2  ASP  63           HB2      ASP  63   3.047 -15.088   1.256
  459    HB3  ASP  63           HB1      ASP  63   1.511 -15.459   2.018
  460    H    VAL  64           HN       VAL  64   3.305 -12.262   0.887
  461    HA   VAL  64           HA       VAL  64   2.686 -11.660   3.624
  462    HB   VAL  64           HB       VAL  64   4.897 -10.515   1.877
  463   HG11  VAL  64          HG11      VAL  64   5.956  -9.793   3.971
  464   HG12  VAL  64          HG12      VAL  64   4.547 -10.351   4.875
  465   HG13  VAL  64          HG13      VAL  64   4.392  -9.007   3.741
  466   HG21  VAL  64          HG21      VAL  64   5.103 -12.907   2.217
  467   HG22  VAL  64          HG22      VAL  64   4.945 -12.693   3.960
  468   HG23  VAL  64          HG23      VAL  64   6.352 -12.046   3.113
  469    H    ALA  65           HN       ALA  65   2.114 -10.116   0.578
  470    HA   ALA  65           HA       ALA  65   1.401  -7.593   1.645
  471    HB1  ALA  65           HB1      ALA  65   0.158  -7.232  -0.441
  472    HB2  ALA  65           HB2      ALA  65   0.445  -8.928  -0.888
  473    HB3  ALA  65           HB3      ALA  65   1.796  -7.808  -0.715
  474    H    GLY  66           HN       GLY  66  -0.157 -10.631   1.846
  475    HA2  GLY  66           HA2      GLY  66  -2.682  -9.381   2.659
  476    HA3  GLY  66           HA1      GLY  66  -2.432 -11.098   2.348
  477    H    ARG  67           HN       ARG  67   0.201 -10.081   3.955
  478    HA   ARG  67           HA       ARG  67  -0.800 -11.065   6.523
  479    HB2  ARG  67           HB2      ARG  67   1.987 -10.904   5.370
  480    HB3  ARG  67           HB1      ARG  67   1.646 -11.376   7.041
  481    HG2  ARG  67           HG2      ARG  67   0.364 -13.257   6.222
  482    HG3  ARG  67           HG1      ARG  67   0.680 -12.745   4.561
  483    HD2  ARG  67           HD2      ARG  67   3.097 -12.966   5.016
  484    HD3  ARG  67           HD1      ARG  67   2.704 -13.620   6.606
  485    HE   ARG  67           HE       ARG  67   1.280 -15.116   4.845
  486   HH11  ARG  67          HH11      ARG  67   4.709 -14.385   5.336
  487   HH12  ARG  67          HH12      ARG  67   5.277 -15.863   4.726
  488   HH21  ARG  67          HH21      ARG  67   2.037 -17.139   3.971
  489   HH22  ARG  67          HH22      ARG  67   3.711 -17.477   3.877
  490    H    VAL  68           HN       VAL  68  -0.398  -8.265   5.052
  491    HA   VAL  68           HA       VAL  68   0.754  -6.794   7.267
  492    HB   VAL  68           HB       VAL  68   0.264  -4.751   5.903
  493   HG11  VAL  68          HG11      VAL  68   1.854  -5.192   4.126
  494   HG12  VAL  68          HG12      VAL  68   1.703  -6.924   4.416
  495   HG13  VAL  68          HG13      VAL  68   2.391  -5.880   5.658
  496   HG21  VAL  68          HG21      VAL  68  -0.722  -6.717   3.849
  497   HG22  VAL  68          HG22      VAL  68  -0.584  -4.967   3.647
  498   HG23  VAL  68          HG23      VAL  68  -1.751  -5.644   4.789
  499    H    ASP  69           HN       ASP  69  -0.748  -4.628   7.536
  500    HA   ASP  69           HA       ASP  69  -3.372  -5.660   8.462
  501    HB2  ASP  69           HB2      ASP  69  -1.495  -3.957  10.143
  502    HB3  ASP  69           HB1      ASP  69  -3.124  -4.425  10.594
  503    H    THR  70           HN       THR  70  -1.663  -2.641   8.915
  504    HA   THR  70           HA       THR  70  -3.940  -1.227   7.810
  505    HB   THR  70           HB       THR  70  -2.725   0.723   8.835
  506    HG1  THR  70           HG1      THR  70  -1.160  -0.840  10.456
  507   HG21  THR  70          HG21      THR  70  -3.252   0.115  11.166
  508   HG22  THR  70          HG22      THR  70  -3.336  -1.584  10.703
  509   HG23  THR  70          HG23      THR  70  -4.518  -0.439  10.070
  510    HA   PRO  71           HA       PRO  71  -1.620   0.064   4.183
  511    HB2  PRO  71           HB2      PRO  71  -2.269   2.845   5.054
  512    HB3  PRO  71           HB1      PRO  71  -2.496   2.091   3.467
  513    HG2  PRO  71           HG2      PRO  71  -4.593   2.441   5.021
  514    HG3  PRO  71           HG1      PRO  71  -4.381   0.901   4.162
  515    HD2  PRO  71           HD2      PRO  71  -3.834   1.561   7.029
  516    HD3  PRO  71           HD1      PRO  71  -4.614   0.123   6.341
  517    H    ARG  72           HN       ARG  72  -1.195   1.808   7.230
  518    HA   ARG  72           HA       ARG  72   1.350   2.889   6.884
  519    HB2  ARG  72           HB2      ARG  72   0.022   3.316   8.905
  520    HB3  ARG  72           HB1      ARG  72   0.207   1.638   9.402
  521    HG2  ARG  72           HG2      ARG  72   2.667   2.003   9.493
  522    HG3  ARG  72           HG1      ARG  72   2.380   3.703   9.150
  523    HD2  ARG  72           HD2      ARG  72   1.329   2.187  11.531
  524    HD3  ARG  72           HD1      ARG  72   2.724   3.260  11.537
  525    HE   ARG  72           HE       ARG  72  -0.087   3.988  11.334
  526   HH11  ARG  72          HH11      ARG  72   3.289   5.059  11.384
  527   HH12  ARG  72          HH12      ARG  72   2.984   6.642  11.893
  528   HH21  ARG  72          HH21      ARG  72  -0.565   6.175  12.121
  529   HH22  ARG  72          HH22      ARG  72   0.706   7.288  12.359
  530    H    GLU  73           HN       GLU  73   0.427  -0.309   8.052
  531    HA   GLU  73           HA       GLU  73   3.008  -1.347   8.436
  532    HB2  GLU  73           HB2      GLU  73   0.917  -2.268   9.418
  533    HB3  GLU  73           HB1      GLU  73   0.418  -2.795   7.824
  534    HG2  GLU  73           HG2      GLU  73   1.269  -4.642   9.114
  535    HG3  GLU  73           HG1      GLU  73   2.323  -4.318   7.740
  536    H    LEU  74           HN       LEU  74   0.804  -1.438   5.693
  537    HA   LEU  74           HA       LEU  74   2.417  -3.086   4.039
  538    HB2  LEU  74           HB2      LEU  74  -0.065  -2.702   3.800
  539    HB3  LEU  74           HB1      LEU  74   0.269  -1.088   3.243
  540    HG   LEU  74           HG       LEU  74  -0.417  -2.807   1.508
  541   HD11  LEU  74          HD11      LEU  74   2.224  -1.408   1.066
  542   HD12  LEU  74          HD12      LEU  74   0.623  -0.702   0.844
  543   HD13  LEU  74          HD13      LEU  74   1.158  -2.018  -0.202
  544   HD21  LEU  74          HD21      LEU  74   1.335  -4.293   0.643
  545   HD22  LEU  74          HD22      LEU  74   0.890  -4.683   2.302
  546   HD23  LEU  74          HD23      LEU  74   2.386  -3.810   1.974
  547    H    LEU  75           HN       LEU  75   2.080   0.422   4.357
  548    HA   LEU  75           HA       LEU  75   3.860   1.335   2.425
  549    HB2  LEU  75           HB2      LEU  75   2.382   2.796   3.707
  550    HB3  LEU  75           HB1      LEU  75   3.281   2.442   5.171
  551    HG   LEU  75           HG       LEU  75   5.267   3.538   4.158
  552   HD11  LEU  75          HD11      LEU  75   4.960   4.944   2.203
  553   HD12  LEU  75          HD12      LEU  75   3.324   4.321   2.006
  554   HD13  LEU  75          HD13      LEU  75   4.710   3.240   1.832
  555   HD21  LEU  75          HD21      LEU  75   4.442   5.827   4.438
  556   HD22  LEU  75          HD22      LEU  75   3.810   4.754   5.689
  557   HD23  LEU  75          HD23      LEU  75   2.783   5.239   4.340
  558    H    ASP  76           HN       ASP  76   4.422   0.564   5.814
  559    HA   ASP  76           HA       ASP  76   7.156   1.104   5.953
  560    HB2  ASP  76           HB2      ASP  76   5.787   0.813   7.933
  561    HB3  ASP  76           HB1      ASP  76   5.508  -0.874   7.527
  562    H    LEU  77           HN       LEU  77   5.458  -1.767   4.980
  563    HA   LEU  77           HA       LEU  77   7.685  -3.495   4.793
  564    HB2  LEU  77           HB2      LEU  77   5.326  -4.241   4.820
  565    HB3  LEU  77           HB1      LEU  77   5.100  -3.541   3.235
  566    HG   LEU  77           HG       LEU  77   6.682  -5.168   2.290
  567   HD11  LEU  77          HD11      LEU  77   6.754  -6.300   5.087
  568   HD12  LEU  77          HD12      LEU  77   8.091  -5.502   4.260
  569   HD13  LEU  77          HD13      LEU  77   7.473  -7.037   3.654
  570   HD21  LEU  77          HD21      LEU  77   5.268  -7.144   2.565
  571   HD22  LEU  77          HD22      LEU  77   4.309  -5.684   2.341
  572   HD23  LEU  77          HD23      LEU  77   4.482  -6.387   3.949
  573    H    ILE  78           HN       ILE  78   6.160  -1.274   2.510
  574    HA   ILE  78           HA       ILE  78   7.882  -1.974   0.343
  575    HB   ILE  78           HB       ILE  78   6.145   0.503   0.686
  576   HG12  ILE  78          HG12      ILE  78   5.725  -2.086  -0.793
  577   HG13  ILE  78          HG11      ILE  78   4.875  -1.579   0.660
  578   HG21  ILE  78          HG21      ILE  78   7.955   0.902  -0.936
  579   HG22  ILE  78          HG22      ILE  78   6.397   0.796  -1.752
  580   HG23  ILE  78          HG23      ILE  78   7.511  -0.571  -1.802
  581   HD11  ILE  78          HD11      ILE  78   3.849   0.256  -0.635
  582   HD12  ILE  78          HD12      ILE  78   3.485  -1.343  -1.296
  583   HD13  ILE  78          HD13      ILE  78   4.701  -0.333  -2.068
  584    H    ASN  79           HN       ASN  79   7.868   0.501   2.805
  585    HA   ASN  79           HA       ASN  79  10.129   1.913   1.906
  586    HB2  ASN  79           HB2      ASN  79   9.025   1.563   4.689
  587    HB3  ASN  79           HB1      ASN  79  10.411   2.583   4.340
  588   HD21  ASN  79          HD21      ASN  79   7.927   3.343   5.442
  589   HD22  ASN  79          HD22      ASN  79   7.209   4.503   4.363
  590    H    GLY  80           HN       GLY  80   9.796  -0.953   3.860
  591    HA2  GLY  80           HA2      GLY  80  12.495  -1.288   4.553
  592    HA3  GLY  80           HA1      GLY  80  11.305  -2.581   4.418
  593    H    ALA  81           HN       ALA  81  10.663  -2.122   1.708
  594    HA   ALA  81           HA       ALA  81  12.795  -3.511   0.427
  595    HB1  ALA  81           HB1      ALA  81  11.341  -3.490  -1.545
  596    HB2  ALA  81           HB2      ALA  81  10.260  -2.354  -0.739
  597    HB3  ALA  81           HB3      ALA  81  10.446  -3.989  -0.110
  598    H    LEU  82           HN       LEU  82  11.764  -0.210   0.668
  599    HA   LEU  82           HA       LEU  82  13.118   0.786  -1.603
  600    HB2  LEU  82           HB2      LEU  82  12.308   2.218   0.918
  601    HB3  LEU  82           HB1      LEU  82  12.926   3.009  -0.514
  602    HG   LEU  82           HG       LEU  82  10.339   1.494  -0.262
  603   HD11  LEU  82          HD11      LEU  82   9.334   3.662  -0.723
  604   HD12  LEU  82          HD12      LEU  82  10.936   4.400  -0.739
  605   HD13  LEU  82          HD13      LEU  82  10.305   3.692   0.748
  606   HD21  LEU  82          HD21      LEU  82  11.532   2.856  -2.671
  607   HD22  LEU  82          HD22      LEU  82   9.911   2.166  -2.569
  608   HD23  LEU  82          HD23      LEU  82  11.325   1.117  -2.457
  609    H    ALA  83           HN       ALA  83  14.278  -0.274   1.365
  610    HA   ALA  83           HA       ALA  83  16.647   1.234   1.584
  611    HB1  ALA  83           HB1      ALA  83  16.123  -1.593   2.495
  612    HB2  ALA  83           HB2      ALA  83  15.749  -0.135   3.410
  613    HB3  ALA  83           HB3      ALA  83  17.427  -0.549   3.059
  614    H    GLU  84           HN       GLU  84  15.735  -1.285  -0.594
  615    HA   GLU  84           HA       GLU  84  18.526  -1.573  -1.512
  616    HB2  GLU  84           HB2      GLU  84  17.826  -3.689  -2.532
  617    HB3  GLU  84           HB1      GLU  84  17.419  -3.696  -0.821
  618    HG2  GLU  84           HG2      GLU  84  15.107  -3.041  -1.438
  619    HG3  GLU  84           HG1      GLU  84  15.559  -3.221  -3.124
  620    H    ALA  85           HN       ALA  85  16.213   0.422  -2.040
  621    HA   ALA  85           HA       ALA  85  16.027   0.078  -4.937
  622    HB1  ALA  85           HB1      ALA  85  14.249   1.679  -3.102
  623    HB2  ALA  85           HB2      ALA  85  13.874   0.094  -3.779
  624    HB3  ALA  85           HB3      ALA  85  14.042   1.489  -4.843
  625    H    ALA  86           HN       ALA  86  16.077   1.990  -6.198
  626    HA   ALA  86           HA       ALA  86  17.878   4.017  -5.094
  627    HB1  ALA  86           HB1      ALA  86  18.874   2.715  -6.923
  628    HB2  ALA  86           HB2      ALA  86  18.610   4.388  -7.419
  629    HB3  ALA  86           HB3      ALA  86  17.507   3.124  -7.961
  630   H281  PSR  87          H28A      PSR  87  -7.303 -10.892  -6.989
  631   H282  PSR  87          H28B      PSR  87  -6.873  -9.941  -5.573
  632   H301  PSR  87          H30A      PSR  87  -4.881  -9.419  -6.553
  633   H302  PSR  87          H30B      PSR  87  -5.124 -10.415  -7.998
  634   H303  PSR  87          H30C      PSR  87  -3.655 -10.590  -7.020
  635   H311  PSR  87          H31A      PSR  87  -4.742 -10.382  -4.358
  636   H312  PSR  87          H31B      PSR  87  -3.700 -11.713  -4.860
  637   H313  PSR  87          H31C      PSR  87  -5.250 -12.049  -4.091
  638   H321  PSR  87          H32A      PSR  87  -4.260 -13.060  -7.073
  639   H331  PSR  87          H33A      PSR  87  -6.642 -13.596  -7.892
  640   H361  PSR  87          H36A      PSR  87  -4.384 -13.880  -4.689
  641   H371  PSR  87          H37A      PSR  87  -6.706 -15.522  -3.989
  642   H372  PSR  87          H37B      PSR  87  -5.186 -16.340  -4.311
  643   H381  PSR  87          H38A      PSR  87  -5.373 -16.029  -1.958
  644   H382  PSR  87          H38B      PSR  87  -4.089 -14.954  -2.550
  645   H411  PSR  87          H41A      PSR  87  -4.241 -13.588  -0.829
  646   H421  PSR  87          H42A      PSR  87  -6.732 -12.122  -0.324
  647   H422  PSR  87          H42B      PSR  87  -5.338 -12.243   0.746
  648   H431  PSR  87          H43A      PSR  87  -5.326 -10.048  -0.253
  649   H432  PSR  87          H43B      PSR  87  -5.438 -10.773  -1.861
  650   HC21  PSR  87          H2A       PSR  87  -1.013 -10.324  -1.814
  651   HC22  PSR  87          H2B       PSR  87  -1.234  -8.632  -2.336
  652   HC31  PSR  87          H3A       PSR  87  -2.029  -9.495  -4.519
  653   HC32  PSR  87          H3B       PSR  87  -1.646 -11.136  -3.964
  654   HC41  PSR  87          H4C       PSR  87   0.682 -10.459  -3.636
  655   HC42  PSR  87          H4A       PSR  87   0.286  -8.831  -4.183
  656   HC43  PSR  87          H4B       PSR  87   0.170 -10.186  -5.302
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  19.803   9.225   6.713
    2    H2   MET   1           HT2      MET   1  20.505   8.919   5.193
    3    H3   MET   1           HT3      MET   1  19.353   7.855   5.827
    4    HA   MET   1           HA       MET   1  17.672   9.488   5.688
    5    HB2  MET   1           HB2      MET   1  19.130  11.480   5.970
    6    HB3  MET   1           HB1      MET   1  19.781  11.209   4.358
    7    HG2  MET   1           HG2      MET   1  17.518  11.511   3.421
    8    HG3  MET   1           HG1      MET   1  16.919  11.865   5.037
    9    HE1  MET   1           HE1      MET   1  19.411  13.566   6.201
   10    HE2  MET   1           HE2      MET   1  17.724  14.011   6.459
   11    HE3  MET   1           HE3      MET   1  18.866  15.207   5.846
   12    H    ALA   2           HN       ALA   2  16.630   8.252   4.395
   13    HA   ALA   2           HA       ALA   2  17.408   8.148   1.568
   14    HB1  ALA   2           HB1      ALA   2  17.799   5.946   2.589
   15    HB2  ALA   2           HB2      ALA   2  16.406   5.874   1.508
   16    HB3  ALA   2           HB3      ALA   2  16.165   5.956   3.253
   17    H    THR   3           HN       THR   3  15.700   8.659   0.227
   18    HA   THR   3           HA       THR   3  13.494   9.932   1.486
   19    HB   THR   3           HB       THR   3  14.431  10.884  -0.554
   20    HG1  THR   3           HG1      THR   3  12.445  10.980  -1.842
   21   HG21  THR   3          HG21      THR   3  15.162   8.854  -1.721
   22   HG22  THR   3          HG22      THR   3  14.140   9.835  -2.774
   23   HG23  THR   3          HG23      THR   3  13.481   8.395  -2.000
   24    H    LEU   4           HN       LEU   4  12.005   8.846   2.408
   25    HA   LEU   4           HA       LEU   4  11.071   6.318   1.256
   26    HB2  LEU   4           HB2      LEU   4  10.784   7.357   4.076
   27    HB3  LEU   4           HB1      LEU   4  10.215   5.803   3.497
   28    HG   LEU   4           HG       LEU   4  13.091   6.683   3.751
   29   HD11  LEU   4          HD11      LEU   4  11.500   4.616   5.250
   30   HD12  LEU   4          HD12      LEU   4  12.043   6.174   5.872
   31   HD13  LEU   4          HD13      LEU   4  13.224   4.935   5.443
   32   HD21  LEU   4          HD21      LEU   4  13.673   4.398   3.089
   33   HD22  LEU   4          HD22      LEU   4  12.807   5.240   1.802
   34   HD23  LEU   4          HD23      LEU   4  11.968   4.048   2.794
   35    H    LEU   5           HN       LEU   5   8.700   5.887   1.832
   36    HA   LEU   5           HA       LEU   5   7.211   8.036   0.631
   37    HB2  LEU   5           HB2      LEU   5   6.376   5.282   1.498
   38    HB3  LEU   5           HB1      LEU   5   5.391   6.405   0.577
   39    HG   LEU   5           HG       LEU   5   7.961   5.141  -0.347
   40   HD11  LEU   5          HD11      LEU   5   6.103   3.565  -0.244
   41   HD12  LEU   5          HD12      LEU   5   6.527   3.940  -1.914
   42   HD13  LEU   5          HD13      LEU   5   5.100   4.674  -1.181
   43   HD21  LEU   5          HD21      LEU   5   7.411   6.171  -2.492
   44   HD22  LEU   5          HD22      LEU   5   7.661   7.377  -1.224
   45   HD23  LEU   5          HD23      LEU   5   6.025   6.962  -1.737
   46    H    THR   6           HN       THR   6   5.752   9.293   1.611
   47    HA   THR   6           HA       THR   6   5.415   8.923   4.491
   48    HB   THR   6           HB       THR   6   4.613  11.262   4.483
   49    HG1  THR   6           HG1      THR   6   5.291  11.182   1.693
   50   HG21  THR   6          HG21      THR   6   6.760  12.346   3.985
   51   HG22  THR   6          HG22      THR   6   7.284  10.900   3.125
   52   HG23  THR   6          HG23      THR   6   6.987  10.832   4.862
   53    H    THR   7           HN       THR   7   3.104   9.970   5.138
   54    HA   THR   7           HA       THR   7   1.022   8.370   4.297
   55    HB   THR   7           HB       THR   7   0.772  11.234   5.261
   56    HG1  THR   7           HG1      THR   7   1.004  10.355   7.341
   57   HG21  THR   7          HG21      THR   7  -1.250  10.374   6.375
   58   HG22  THR   7          HG22      THR   7  -0.933   8.768   5.722
   59   HG23  THR   7          HG23      THR   7  -1.330  10.098   4.634
   60    H    ASP   8           HN       ASP   8   2.119  11.506   3.180
   61    HA   ASP   8           HA       ASP   8   0.140  12.250   1.362
   62    HB2  ASP   8           HB2      ASP   8   1.875  13.755   2.101
   63    HB3  ASP   8           HB1      ASP   8   3.112  12.753   1.362
   64    H    ASP   9           HN       ASP   9   3.090  10.403   0.835
   65    HA   ASP   9           HA       ASP   9   2.809  10.002  -1.975
   66    HB2  ASP   9           HB2      ASP   9   4.323   8.334   0.050
   67    HB3  ASP   9           HB1      ASP   9   4.467   8.178  -1.687
   68    H    LEU  10           HN       LEU  10   2.217   7.957   0.812
   69    HA   LEU  10           HA       LEU  10   1.320   5.712  -0.629
   70    HB2  LEU  10           HB2      LEU  10   2.291   5.685   1.637
   71    HB3  LEU  10           HB1      LEU  10   0.844   6.447   2.254
   72    HG   LEU  10           HG       LEU  10  -0.434   4.428   1.476
   73   HD11  LEU  10          HD11      LEU  10   0.816   2.379   1.037
   74   HD12  LEU  10          HD12      LEU  10   2.325   3.292   1.075
   75   HD13  LEU  10          HD13      LEU  10   1.131   3.613  -0.184
   76   HD21  LEU  10          HD21      LEU  10   1.756   3.991   3.494
   77   HD22  LEU  10          HD22      LEU  10   0.291   3.022   3.346
   78   HD23  LEU  10          HD23      LEU  10   0.183   4.721   3.804
   79    H    ARG  11           HN       ARG  11  -0.295   8.568   0.507
   80    HA   ARG  11           HA       ARG  11  -2.934   7.761   0.713
   81    HB2  ARG  11           HB2      ARG  11  -1.718  10.145   0.954
   82    HB3  ARG  11           HB1      ARG  11  -2.450  10.370  -0.632
   83    HG2  ARG  11           HG2      ARG  11  -4.645   9.780   0.343
   84    HG3  ARG  11           HG1      ARG  11  -3.877   9.689   1.929
   85    HD2  ARG  11           HD2      ARG  11  -4.791  11.828   1.889
   86    HD3  ARG  11           HD1      ARG  11  -3.103  12.100   1.456
   87    HE   ARG  11           HE       ARG  11  -4.992  11.730  -0.709
   88   HH11  ARG  11          HH11      ARG  11  -3.008  14.027   1.141
   89   HH12  ARG  11          HH12      ARG  11  -3.324  15.335   0.086
   90   HH21  ARG  11          HH21      ARG  11  -5.474  13.568  -2.087
   91   HH22  ARG  11          HH22      ARG  11  -4.714  15.054  -1.827
   92    H    ARG  12           HN       ARG  12  -1.392   9.181  -2.181
   93    HA   ARG  12           HA       ARG  12  -3.531   8.519  -3.867
   94    HB2  ARG  12           HB2      ARG  12  -2.091   8.930  -5.795
   95    HB3  ARG  12           HB1      ARG  12  -1.930  10.208  -4.606
   96    HG2  ARG  12           HG2      ARG  12   0.213   9.497  -3.986
   97    HG3  ARG  12           HG1      ARG  12   0.009   7.932  -4.774
   98    HD2  ARG  12           HD2      ARG  12   0.035  10.563  -6.244
   99    HD3  ARG  12           HD1      ARG  12   1.465   9.566  -6.001
  100    HE   ARG  12           HE       ARG  12  -0.784   8.217  -7.261
  101   HH11  ARG  12          HH11      ARG  12   2.029  10.258  -7.917
  102   HH12  ARG  12          HH12      ARG  12   2.441   9.478  -9.381
  103   HH21  ARG  12          HH21      ARG  12  -0.262   7.170  -9.302
  104   HH22  ARG  12          HH22      ARG  12   1.087   7.681 -10.203
  105    H    ALA  13           HN       ALA  13  -0.805   6.662  -2.791
  106    HA   ALA  13           HA       ALA  13  -0.773   4.740  -4.849
  107    HB1  ALA  13           HB1      ALA  13   0.038   4.389  -1.967
  108    HB2  ALA  13           HB2      ALA  13   1.063   5.022  -3.252
  109    HB3  ALA  13           HB3      ALA  13   0.505   3.348  -3.312
  110    H    LEU  14           HN       LEU  14  -2.470   4.808  -1.766
  111    HA   LEU  14           HA       LEU  14  -3.822   2.344  -2.119
  112    HB2  LEU  14           HB2      LEU  14  -4.299   4.771  -0.437
  113    HB3  LEU  14           HB1      LEU  14  -5.587   3.604  -0.601
  114    HG   LEU  14           HG       LEU  14  -4.311   3.305   1.473
  115   HD11  LEU  14          HD11      LEU  14  -3.908   0.911   1.294
  116   HD12  LEU  14          HD12      LEU  14  -3.993   1.035  -0.464
  117   HD13  LEU  14          HD13      LEU  14  -5.416   1.393   0.515
  118   HD21  LEU  14          HD21      LEU  14  -1.996   2.614  -0.326
  119   HD22  LEU  14          HD22      LEU  14  -2.033   2.428   1.428
  120   HD23  LEU  14          HD23      LEU  14  -2.115   4.036   0.707
  121    H    VAL  15           HN       VAL  15  -4.733   5.684  -2.788
  122    HA   VAL  15           HA       VAL  15  -7.187   5.003  -3.911
  123    HB   VAL  15           HB       VAL  15  -5.710   7.654  -3.912
  124   HG11  VAL  15          HG11      VAL  15  -7.718   8.694  -4.849
  125   HG12  VAL  15          HG12      VAL  15  -8.468   7.109  -5.050
  126   HG13  VAL  15          HG13      VAL  15  -7.056   7.544  -6.011
  127   HG21  VAL  15          HG21      VAL  15  -7.530   8.280  -2.475
  128   HG22  VAL  15          HG22      VAL  15  -6.665   6.870  -1.859
  129   HG23  VAL  15          HG23      VAL  15  -8.235   6.672  -2.645
  130    H    GLU  16           HN       GLU  16  -4.105   4.940  -5.436
  131    HA   GLU  16           HA       GLU  16  -4.735   5.087  -8.149
  132    HB2  GLU  16           HB2      GLU  16  -2.896   3.047  -6.846
  133    HB3  GLU  16           HB1      GLU  16  -2.906   3.488  -8.535
  134    HG2  GLU  16           HG2      GLU  16  -2.166   5.338  -6.278
  135    HG3  GLU  16           HG1      GLU  16  -1.024   4.401  -7.225
  136    H    SER  17           HN       SER  17  -4.831   2.381  -5.924
  137    HA   SER  17           HA       SER  17  -6.112   0.630  -7.815
  138    HB2  SER  17           HB2      SER  17  -5.808  -0.950  -5.823
  139    HB3  SER  17           HB1      SER  17  -4.377  -0.337  -6.644
  140    HG   SER  17           HG       SER  17  -5.359   1.159  -4.463
  141    H    ALA  18           HN       ALA  18  -7.236   2.928  -5.743
  142    HA   ALA  18           HA       ALA  18  -9.368   1.507  -4.466
  143    HB1  ALA  18           HB1      ALA  18  -8.488   3.592  -3.529
  144    HB2  ALA  18           HB2      ALA  18 -10.223   3.703  -3.837
  145    HB3  ALA  18           HB3      ALA  18  -9.081   4.475  -4.936
  146    H    GLY  19           HN       GLY  19  -9.039   3.420  -7.380
  147    HA2  GLY  19           HA2      GLY  19 -10.332   2.994  -9.325
  148    HA3  GLY  19           HA1      GLY  19 -11.609   2.352  -8.294
  149    H    GLU  20           HN       GLU  20 -11.989   4.195  -6.461
  150    HA   GLU  20           HA       GLU  20 -12.754   6.215  -5.840
  151    HB2  GLU  20           HB2      GLU  20 -10.718   7.127  -6.981
  152    HB3  GLU  20           HB1      GLU  20 -11.646   7.281  -8.456
  153    HG2  GLU  20           HG2      GLU  20 -13.100   8.917  -7.359
  154    HG3  GLU  20           HG1      GLU  20 -12.154   8.753  -5.881
  155    H    THR  21           HN       THR  21 -14.112   4.292  -7.865
  156    HA   THR  21           HA       THR  21 -16.396   6.051  -8.376
  157    HB   THR  21           HB       THR  21 -16.700   4.754 -10.585
  158    HG1  THR  21           HG1      THR  21 -15.243   3.247 -10.715
  159   HG21  THR  21          HG21      THR  21 -15.256   6.329 -11.825
  160   HG22  THR  21          HG22      THR  21 -14.411   6.725 -10.328
  161   HG23  THR  21          HG23      THR  21 -16.116   7.141 -10.516
  162    H    ASP  22           HN       ASP  22 -15.949   3.988  -6.335
  163    HA   ASP  22           HA       ASP  22 -18.234   2.207  -7.029
  164    HB2  ASP  22           HB2      ASP  22 -15.635   1.248  -5.813
  165    HB3  ASP  22           HB1      ASP  22 -17.101   0.291  -5.887
  166    H    GLY  23           HN       GLY  23 -16.393   3.896  -4.653
  167    HA2  GLY  23           HA2      GLY  23 -17.623   4.573  -2.640
  168    HA3  GLY  23           HA1      GLY  23 -18.102   2.876  -2.489
  169    H    THR  24           HN       THR  24 -15.522   2.162  -3.733
  170    HA   THR  24           HA       THR  24 -13.899   1.882  -1.414
  171    HB   THR  24           HB       THR  24 -13.276   1.267  -4.321
  172    HG1  THR  24           HG1      THR  24 -14.715  -0.152  -2.330
  173   HG21  THR  24          HG21      THR  24 -11.355   1.147  -2.772
  174   HG22  THR  24          HG22      THR  24 -11.801  -0.458  -3.351
  175   HG23  THR  24          HG23      THR  24 -12.266   0.054  -1.729
  176    H    ASP  25           HN       ASP  25 -13.418   4.017  -0.887
  177    HA   ASP  25           HA       ASP  25 -11.177   5.164  -2.252
  178    HB2  ASP  25           HB2      ASP  25 -12.865   6.273  -3.558
  179    HB3  ASP  25           HB1      ASP  25 -13.797   6.669  -2.117
  180    H    LEU  26           HN       LEU  26 -10.022   6.401  -0.952
  181    HA   LEU  26           HA       LEU  26 -11.054   6.804   1.732
  182    HB2  LEU  26           HB2      LEU  26  -8.676   6.330   2.557
  183    HB3  LEU  26           HB1      LEU  26  -9.675   4.977   2.082
  184    HG   LEU  26           HG       LEU  26  -8.396   5.303  -0.214
  185   HD11  LEU  26          HD11      LEU  26  -6.073   5.859   0.089
  186   HD12  LEU  26          HD12      LEU  26  -6.378   6.286   1.769
  187   HD13  LEU  26          HD13      LEU  26  -7.087   7.256   0.481
  188   HD21  LEU  26          HD21      LEU  26  -6.816   3.594   0.536
  189   HD22  LEU  26          HD22      LEU  26  -8.471   3.274   1.048
  190   HD23  LEU  26          HD23      LEU  26  -7.297   3.906   2.203
  191    H    SER  27           HN       SER  27  -8.579   7.800  -0.538
  192    HA   SER  27           HA       SER  27  -7.575   9.760  -1.002
  193    HB2  SER  27           HB2      SER  27  -9.242  11.694  -1.195
  194    HB3  SER  27           HB1      SER  27  -9.487  10.268  -2.208
  195    HG   SER  27           HG       SER  27 -11.286   9.851  -1.176
  196    H    GLY  28           HN       GLY  28  -7.347   9.185   1.788
  197    HA2  GLY  28           HA2      GLY  28  -6.159  11.483   2.771
  198    HA3  GLY  28           HA1      GLY  28  -7.849  11.630   3.223
  199    H    ASP  29           HN       ASP  29  -8.744   9.790   4.553
  200    HA   ASP  29           HA       ASP  29  -6.651   8.958   6.396
  201    HB2  ASP  29           HB2      ASP  29  -9.649   9.087   6.758
  202    HB3  ASP  29           HB1      ASP  29  -8.586   8.291   7.914
  203    H    PHE  30           HN       PHE  30  -5.937   7.069   6.525
  204    HA   PHE  30           HA       PHE  30  -7.322   4.711   5.673
  205    HB2  PHE  30           HB2      PHE  30  -6.055   4.178   3.622
  206    HB3  PHE  30           HB1      PHE  30  -6.765   5.764   3.471
  207    HD1  PHE  30           HD2      PHE  30  -5.359   7.810   3.815
  208    HD2  PHE  30           HD1      PHE  30  -3.695   3.921   3.504
  209    HE1  PHE  30           HE2      PHE  30  -3.159   8.791   3.365
  210    HE2  PHE  30           HE1      PHE  30  -1.498   4.899   3.058
  211    HZ   PHE  30           HZ       PHE  30  -1.224   7.333   2.988
  212    H    LEU  31           HN       LEU  31  -4.394   6.372   6.602
  213    HA   LEU  31           HA       LEU  31  -2.509   4.372   6.676
  214    HB2  LEU  31           HB2      LEU  31  -2.158   6.813   6.959
  215    HB3  LEU  31           HB1      LEU  31  -2.730   6.667   8.609
  216    HG   LEU  31           HG       LEU  31  -0.831   5.161   9.082
  217   HD11  LEU  31          HD11      LEU  31  -0.452   4.322   6.819
  218   HD12  LEU  31          HD12      LEU  31   1.016   5.049   7.467
  219   HD13  LEU  31          HD13      LEU  31   0.041   5.934   6.295
  220   HD21  LEU  31          HD21      LEU  31  -0.691   7.544   9.576
  221   HD22  LEU  31          HD22      LEU  31  -0.100   7.857   7.946
  222   HD23  LEU  31          HD23      LEU  31   0.878   6.918   9.072
  223    H    ASP  32           HN       ASP  32  -4.905   5.175   9.082
  224    HA   ASP  32           HA       ASP  32  -3.905   3.151  10.937
  225    HB2  ASP  32           HB2      ASP  32  -5.427   4.168  12.528
  226    HB3  ASP  32           HB1      ASP  32  -4.462   5.420  11.753
  227    H    LEU  33           HN       LEU  33  -6.196   3.540   8.502
  228    HA   LEU  33           HA       LEU  33  -8.122   1.672   9.604
  229    HB2  LEU  33           HB2      LEU  33  -8.108   3.251   7.037
  230    HB3  LEU  33           HB1      LEU  33  -9.407   2.194   7.555
  231    HG   LEU  33           HG       LEU  33  -8.527   4.703   8.989
  232   HD11  LEU  33          HD11      LEU  33 -10.961   4.146   7.305
  233   HD12  LEU  33          HD12      LEU  33  -9.605   5.184   6.864
  234   HD13  LEU  33          HD13      LEU  33 -10.650   5.626   8.214
  235   HD21  LEU  33          HD21      LEU  33 -10.549   4.364  10.331
  236   HD22  LEU  33          HD22      LEU  33  -9.430   3.013  10.512
  237   HD23  LEU  33          HD23      LEU  33 -10.856   2.845   9.488
  238    H    ARG  34           HN       ARG  34  -8.025  -0.372   9.151
  239    HA   ARG  34           HA       ARG  34  -5.906  -1.367   7.489
  240    HB2  ARG  34           HB2      ARG  34  -6.414  -2.489   9.552
  241    HB3  ARG  34           HB1      ARG  34  -8.075  -2.754   9.048
  242    HG2  ARG  34           HG2      ARG  34  -7.358  -4.272   7.343
  243    HG3  ARG  34           HG1      ARG  34  -5.669  -3.932   7.714
  244    HD2  ARG  34           HD2      ARG  34  -6.401  -5.990   8.657
  245    HD3  ARG  34           HD1      ARG  34  -5.932  -4.845   9.906
  246    HE   ARG  34           HE       ARG  34  -8.709  -4.597   9.408
  247   HH11  ARG  34          HH11      ARG  34  -6.479  -6.849  11.005
  248   HH12  ARG  34          HH12      ARG  34  -7.588  -7.282  12.223
  249   HH21  ARG  34          HH21      ARG  34 -10.198  -5.184  10.997
  250   HH22  ARG  34          HH22      ARG  34  -9.784  -6.318  12.220
  251    H    PHE  35           HN       PHE  35  -6.072  -2.624   5.617
  252    HA   PHE  35           HA       PHE  35  -7.688  -1.687   3.608
  253    HB2  PHE  35           HB2      PHE  35  -6.579  -4.493   3.618
  254    HB3  PHE  35           HB1      PHE  35  -6.869  -3.455   2.224
  255    HD1  PHE  35           HD2      PHE  35  -5.472  -1.491   1.885
  256    HD2  PHE  35           HD1      PHE  35  -4.535  -4.422   4.803
  257    HE1  PHE  35           HE2      PHE  35  -3.240  -0.652   1.936
  258    HE2  PHE  35           HE1      PHE  35  -2.220  -3.578   4.899
  259    HZ   PHE  35           HZ       PHE  35  -1.482  -1.912   3.575
  260    H    GLU  36           HN       GLU  36  -7.996  -4.722   5.385
  261    HA   GLU  36           HA       GLU  36 -10.306  -5.922   4.503
  262    HB2  GLU  36           HB2      GLU  36  -9.467  -5.463   7.365
  263    HB3  GLU  36           HB1      GLU  36 -10.766  -6.537   6.898
  264    HG2  GLU  36           HG2      GLU  36  -7.913  -6.850   6.023
  265    HG3  GLU  36           HG1      GLU  36  -8.615  -7.636   7.433
  266    H    ASP  37           HN       ASP  37 -10.076  -3.153   6.655
  267    HA   ASP  37           HA       ASP  37 -12.917  -3.074   7.149
  268    HB2  ASP  37           HB2      ASP  37 -10.675  -1.323   8.188
  269    HB3  ASP  37           HB1      ASP  37 -12.331  -1.352   8.788
  270    H    ILE  38           HN       ILE  38 -10.740  -1.690   4.937
  271    HA   ILE  38           HA       ILE  38 -12.585   0.532   4.457
  272    HB   ILE  38           HB       ILE  38 -10.803   1.567   3.034
  273   HG12  ILE  38          HG12      ILE  38  -9.055  -0.560   4.295
  274   HG13  ILE  38          HG11      ILE  38  -9.432  -0.470   2.587
  275   HG21  ILE  38          HG21      ILE  38  -9.510   2.416   4.930
  276   HG22  ILE  38          HG22      ILE  38 -10.163   1.121   5.934
  277   HG23  ILE  38          HG23      ILE  38 -11.241   2.347   5.262
  278   HD11  ILE  38          HD11      ILE  38  -7.820   1.517   4.181
  279   HD12  ILE  38          HD12      ILE  38  -8.222   1.666   2.468
  280   HD13  ILE  38          HD13      ILE  38  -7.210   0.335   3.019
  281    H    GLY  39           HN       GLY  39 -12.806  -2.291   3.549
  282    HA2  GLY  39           HA2      GLY  39 -13.886  -3.255   1.758
  283    HA3  GLY  39           HA1      GLY  39 -14.084  -1.640   1.103
  284    H    TYR  40           HN       TYR  40 -10.953  -2.973   1.828
  285    HA   TYR  40           HA       TYR  40 -10.333  -2.856  -1.000
  286    HB2  TYR  40           HB2      TYR  40  -8.762  -2.602   1.487
  287    HB3  TYR  40           HB1      TYR  40  -7.891  -3.356   0.175
  288    HD1  TYR  40           HD2      TYR  40 -10.223  -0.443   0.570
  289    HD2  TYR  40           HD1      TYR  40  -6.576  -1.952  -1.004
  290    HE1  TYR  40           HE2      TYR  40  -9.732   1.752  -0.383
  291    HE2  TYR  40           HE1      TYR  40  -6.070   0.213  -1.961
  292    HH   TYR  40           HH       TYR  40  -7.167   2.256  -2.611
  293    H    ASP  41           HN       ASP  41 -10.752  -4.555  -2.052
  294    HA   ASP  41           HA       ASP  41 -10.628  -7.187  -0.871
  295    HB2  ASP  41           HB2      ASP  41 -11.188  -6.361  -3.731
  296    HB3  ASP  41           HB1      ASP  41 -11.358  -7.981  -3.083
  297    H    SER  42           HN       SER  42  -9.628  -8.828  -2.509
  298    HA   SER  42           HA       SER  42  -6.919  -8.750  -2.228
  299    HB2  SER  42           HB2      SER  42  -6.909 -10.651  -3.709
  300    HB3  SER  42           HB1      SER  42  -8.320 -10.724  -2.645
  301    H    LEU  43           HN       LEU  43  -8.748  -8.081  -5.219
  302    HA   LEU  43           HA       LEU  43  -6.554  -7.546  -6.889
  303    HB2  LEU  43           HB2      LEU  43  -8.910  -8.064  -7.612
  304    HB3  LEU  43           HB1      LEU  43  -9.375  -6.460  -7.127
  305    HG   LEU  43           HG       LEU  43  -9.169  -6.757  -9.577
  306   HD11  LEU  43          HD11      LEU  43  -7.896  -4.748 -10.104
  307   HD12  LEU  43          HD12      LEU  43  -7.221  -4.741  -8.478
  308   HD13  LEU  43          HD13      LEU  43  -8.952  -4.509  -8.712
  309   HD21  LEU  43          HD21      LEU  43  -7.355  -8.342  -9.636
  310   HD22  LEU  43          HD22      LEU  43  -6.241  -7.132  -9.006
  311   HD23  LEU  43          HD23      LEU  43  -6.955  -6.924 -10.605
  312    H    ALA  44           HN       ALA  44  -8.535  -5.468  -4.896
  313    HA   ALA  44           HA       ALA  44  -7.426  -3.027  -5.753
  314    HB1  ALA  44           HB1      ALA  44  -8.419  -2.064  -3.737
  315    HB2  ALA  44           HB2      ALA  44  -8.701  -3.680  -3.092
  316    HB3  ALA  44           HB3      ALA  44  -9.557  -3.146  -4.539
  317    H    LEU  45           HN       LEU  45  -6.727  -5.064  -2.933
  318    HA   LEU  45           HA       LEU  45  -4.717  -3.399  -1.895
  319    HB2  LEU  45           HB2      LEU  45  -6.055  -5.584  -0.994
  320    HB3  LEU  45           HB1      LEU  45  -4.481  -6.276  -1.331
  321    HG   LEU  45           HG       LEU  45  -5.194  -4.130   0.638
  322   HD11  LEU  45          HD11      LEU  45  -5.431  -6.325   1.449
  323   HD12  LEU  45          HD12      LEU  45  -3.976  -5.566   2.156
  324   HD13  LEU  45          HD13      LEU  45  -3.820  -6.746   0.849
  325   HD21  LEU  45          HD21      LEU  45  -2.860  -3.897   1.157
  326   HD22  LEU  45          HD22      LEU  45  -3.278  -3.330  -0.470
  327   HD23  LEU  45          HD23      LEU  45  -2.447  -4.895  -0.260
  328    H    MET  46           HN       MET  46  -4.516  -6.278  -3.998
  329    HA   MET  46           HA       MET  46  -1.693  -6.435  -4.021
  330    HB2  MET  46           HB2      MET  46  -1.841  -7.833  -5.995
  331    HB3  MET  46           HB1      MET  46  -3.143  -8.276  -4.901
  332    HG2  MET  46           HG2      MET  46  -4.757  -7.193  -6.228
  333    HG3  MET  46           HG1      MET  46  -3.523  -6.362  -7.166
  334    HE1  MET  46           HE1      MET  46  -1.971  -7.602  -8.967
  335    HE2  MET  46           HE2      MET  46  -2.040  -9.336  -9.282
  336    HE3  MET  46           HE3      MET  46  -1.459  -8.746  -7.726
  337    H    GLU  47           HN       GLU  47  -3.922  -4.442  -5.812
  338    HA   GLU  47           HA       GLU  47  -1.981  -3.655  -7.748
  339    HB2  GLU  47           HB2      GLU  47  -4.394  -3.754  -8.266
  340    HB3  GLU  47           HB1      GLU  47  -4.679  -2.456  -7.116
  341    HG2  GLU  47           HG2      GLU  47  -3.429  -0.927  -8.450
  342    HG3  GLU  47           HG1      GLU  47  -2.952  -2.213  -9.564
  343    H    THR  48           HN       THR  48  -3.091  -2.492  -4.643
  344    HA   THR  48           HA       THR  48  -1.984   0.077  -4.621
  345    HB   THR  48           HB       THR  48  -2.042  -1.942  -2.348
  346    HG1  THR  48           HG1      THR  48  -4.061  -0.515  -3.630
  347   HG21  THR  48          HG21      THR  48  -2.150   1.080  -2.347
  348   HG22  THR  48          HG22      THR  48  -0.771   0.096  -1.858
  349   HG23  THR  48          HG23      THR  48  -2.263   0.053  -0.919
  350    H    ALA  49           HN       ALA  49  -0.707  -3.034  -3.522
  351    HA   ALA  49           HA       ALA  49   1.906  -2.254  -2.948
  352    HB1  ALA  49           HB1      ALA  49   0.925  -4.956  -3.830
  353    HB2  ALA  49           HB2      ALA  49   0.956  -4.370  -2.161
  354    HB3  ALA  49           HB3      ALA  49   2.468  -4.610  -3.061
  355    H    ALA  50           HN       ALA  50   0.659  -3.927  -5.841
  356    HA   ALA  50           HA       ALA  50   3.066  -4.118  -7.209
  357    HB1  ALA  50           HB1      ALA  50   1.778  -4.608  -9.192
  358    HB2  ALA  50           HB2      ALA  50   0.330  -3.931  -8.448
  359    HB3  ALA  50           HB3      ALA  50   1.059  -5.396  -7.787
  360    H    ARG  51           HN       ARG  51   0.856  -1.447  -7.076
  361    HA   ARG  51           HA       ARG  51   1.772   0.069  -9.266
  362    HB2  ARG  51           HB2      ARG  51  -0.276   0.412  -7.766
  363    HB3  ARG  51           HB1      ARG  51   0.820   1.136  -6.610
  364    HG2  ARG  51           HG2      ARG  51  -0.288   2.864  -7.809
  365    HG3  ARG  51           HG1      ARG  51   1.401   2.841  -8.317
  366    HD2  ARG  51           HD2      ARG  51   0.882   1.873 -10.389
  367    HD3  ARG  51           HD1      ARG  51  -0.714   1.353  -9.841
  368    HE   ARG  51           HE       ARG  51  -0.460   4.191  -9.751
  369   HH11  ARG  51          HH11      ARG  51  -1.067   1.553 -12.023
  370   HH12  ARG  51          HH12      ARG  51  -1.971   2.509 -13.102
  371   HH21  ARG  51          HH21      ARG  51  -1.682   5.435 -11.084
  372   HH22  ARG  51          HH22      ARG  51  -2.383   4.852 -12.546
  373    H    LEU  52           HN       LEU  52   2.587   0.141  -5.828
  374    HA   LEU  52           HA       LEU  52   4.748   1.963  -6.134
  375    HB2  LEU  52           HB2      LEU  52   4.047   0.159  -3.827
  376    HB3  LEU  52           HB1      LEU  52   5.273   1.411  -3.786
  377    HG   LEU  52           HG       LEU  52   2.312   1.858  -4.178
  378   HD11  LEU  52          HD11      LEU  52   2.405   2.892  -1.977
  379   HD12  LEU  52          HD12      LEU  52   4.110   2.464  -1.844
  380   HD13  LEU  52          HD13      LEU  52   2.884   1.196  -1.906
  381   HD21  LEU  52          HD21      LEU  52   4.573   3.843  -3.926
  382   HD22  LEU  52          HD22      LEU  52   2.855   4.236  -3.999
  383   HD23  LEU  52          HD23      LEU  52   3.652   3.505  -5.391
  384    H    GLU  53           HN       GLU  53   4.508  -1.536  -5.915
  385    HA   GLU  53           HA       GLU  53   7.158  -2.280  -5.631
  386    HB2  GLU  53           HB2      GLU  53   4.989  -3.564  -7.283
  387    HB3  GLU  53           HB1      GLU  53   6.561  -4.290  -7.033
  388    HG2  GLU  53           HG2      GLU  53   6.077  -4.350  -4.597
  389    HG3  GLU  53           HG1      GLU  53   4.485  -3.692  -4.952
  390    H    SER  54           HN       SER  54   5.384  -1.849  -8.617
  391    HA   SER  54           HA       SER  54   7.535  -2.312 -10.354
  392    HB2  SER  54           HB2      SER  54   5.078  -0.653 -10.890
  393    HB3  SER  54           HB1      SER  54   6.083  -1.483 -12.080
  394    HG   SER  54           HG       SER  54   4.211  -2.486 -10.288
  395    H    ARG  55           HN       ARG  55   6.252   0.711  -9.036
  396    HA   ARG  55           HA       ARG  55   7.780   2.468 -10.645
  397    HB2  ARG  55           HB2      ARG  55   5.644   2.970  -9.356
  398    HB3  ARG  55           HB1      ARG  55   6.618   3.035  -7.909
  399    HG2  ARG  55           HG2      ARG  55   6.933   4.911 -10.274
  400    HG3  ARG  55           HG1      ARG  55   5.978   5.265  -8.843
  401    HD2  ARG  55           HD2      ARG  55   8.139   4.942  -7.522
  402    HD3  ARG  55           HD1      ARG  55   8.966   4.969  -9.078
  403    HE   ARG  55           HE       ARG  55   7.308   7.216  -8.930
  404   HH11  ARG  55          HH11      ARG  55  10.435   6.054  -7.614
  405   HH12  ARG  55          HH12      ARG  55  10.858   7.548  -6.956
  406   HH21  ARG  55          HH21      ARG  55   7.975   9.330  -8.039
  407   HH22  ARG  55          HH22      ARG  55   9.431   9.430  -7.177
  408    H    TYR  56           HN       TYR  56   8.394   1.005  -7.474
  409    HA   TYR  56           HA       TYR  56  10.842   2.594  -7.301
  410    HB2  TYR  56           HB2      TYR  56   9.395   1.042  -5.158
  411    HB3  TYR  56           HB1      TYR  56  10.904   1.920  -4.909
  412    HD1  TYR  56           HD2      TYR  56  10.935   4.377  -4.992
  413    HD2  TYR  56           HD1      TYR  56   7.311   2.210  -5.400
  414    HE1  TYR  56           HE2      TYR  56   9.654   6.446  -4.635
  415    HE2  TYR  56           HE1      TYR  56   6.027   4.255  -5.051
  416    HH   TYR  56           HH       TYR  56   6.295   6.416  -4.072
  417    H    GLY  57           HN       GLY  57  10.011  -0.382  -8.373
  418    HA2  GLY  57           HA2      GLY  57  11.366  -2.070  -9.120
  419    HA3  GLY  57           HA1      GLY  57  12.748  -1.171  -8.513
  420    H    VAL  58           HN       VAL  58   9.922  -2.428  -6.849
  421    HA   VAL  58           HA       VAL  58  11.627  -4.331  -5.448
  422    HB   VAL  58           HB       VAL  58  10.451  -3.892  -3.281
  423   HG11  VAL  58          HG11      VAL  58  11.865  -1.471  -4.384
  424   HG12  VAL  58          HG12      VAL  58  12.626  -2.874  -3.632
  425   HG13  VAL  58          HG13      VAL  58  11.595  -1.812  -2.674
  426   HG21  VAL  58          HG21      VAL  58   9.167  -1.811  -2.974
  427   HG22  VAL  58          HG22      VAL  58   8.399  -2.883  -4.147
  428   HG23  VAL  58          HG23      VAL  58   9.308  -1.478  -4.700
  429    H    SER  59           HN       SER  59  10.087  -5.963  -4.206
  430    HA   SER  59           HA       SER  59   7.530  -6.084  -5.522
  431    HB2  SER  59           HB2      SER  59   9.219  -7.295  -6.972
  432    HB3  SER  59           HB1      SER  59   9.416  -8.446  -5.652
  433    HG   SER  59           HG       SER  59   6.842  -7.844  -6.525
  434    H    ILE  60           HN       ILE  60   6.010  -7.204  -4.411
  435    HA   ILE  60           HA       ILE  60   6.753  -8.343  -1.800
  436    HB   ILE  60           HB       ILE  60   4.405  -6.505  -2.392
  437   HG12  ILE  60          HG12      ILE  60   6.727  -6.144  -0.484
  438   HG13  ILE  60          HG11      ILE  60   6.567  -5.322  -2.028
  439   HG21  ILE  60          HG21      ILE  60   5.053  -7.965   0.173
  440   HG22  ILE  60          HG22      ILE  60   3.687  -8.279  -0.897
  441   HG23  ILE  60          HG23      ILE  60   3.788  -6.750  -0.023
  442   HD11  ILE  60          HD11      ILE  60   4.538  -4.223  -1.217
  443   HD12  ILE  60          HD12      ILE  60   5.940  -3.872  -0.205
  444   HD13  ILE  60          HD13      ILE  60   4.731  -5.040   0.331
  445    HA   PRO  61           HA       PRO  61   4.497 -11.908  -3.473
  446    HB2  PRO  61           HB2      PRO  61   4.400 -12.367  -0.512
  447    HB3  PRO  61           HB1      PRO  61   4.816 -13.509  -1.809
  448    HG2  PRO  61           HG2      PRO  61   6.742 -12.488  -0.358
  449    HG3  PRO  61           HG1      PRO  61   6.935 -12.541  -2.123
  450    HD2  PRO  61           HD2      PRO  61   6.221 -10.222  -0.368
  451    HD3  PRO  61           HD1      PRO  61   7.317 -10.287  -1.764
  452    H    ASP  62           HN       ASP  62   2.346 -12.212  -3.755
  453    HA   ASP  62           HA       ASP  62   0.377 -10.479  -2.753
  454    HB2  ASP  62           HB2      ASP  62  -1.320 -11.968  -3.707
  455    HB3  ASP  62           HB1      ASP  62   0.026 -11.806  -4.825
  456    H    ASP  63           HN       ASP  63   1.581 -13.479  -1.508
  457    HA   ASP  63           HA       ASP  63  -0.406 -13.847   0.487
  458    HB2  ASP  63           HB2      ASP  63   1.000 -15.701  -0.187
  459    HB3  ASP  63           HB1      ASP  63   2.448 -14.830   0.297
  460    H    VAL  64           HN       VAL  64   2.618 -12.088   0.334
  461    HA   VAL  64           HA       VAL  64   2.518 -11.440   3.134
  462    HB   VAL  64           HB       VAL  64   4.350 -10.310   0.970
  463   HG11  VAL  64          HG11      VAL  64   5.726  -9.456   2.816
  464   HG12  VAL  64          HG12      VAL  64   4.525 -10.023   3.975
  465   HG13  VAL  64          HG13      VAL  64   4.116  -8.736   2.841
  466   HG21  VAL  64          HG21      VAL  64   4.838 -12.373   3.114
  467   HG22  VAL  64          HG22      VAL  64   6.054 -11.740   2.004
  468   HG23  VAL  64          HG23      VAL  64   4.698 -12.682   1.383
  469    H    ALA  65           HN       ALA  65   1.495  -9.982   0.146
  470    HA   ALA  65           HA       ALA  65   0.669  -7.511   1.216
  471    HB1  ALA  65           HB1      ALA  65  -0.831  -7.354  -0.724
  472    HB2  ALA  65           HB2      ALA  65  -0.582  -9.062  -1.075
  473    HB3  ALA  65           HB3      ALA  65   0.760  -7.926  -1.217
  474    H    GLY  66           HN       GLY  66  -0.643 -10.710   1.422
  475    HA2  GLY  66           HA2      GLY  66  -3.116  -9.808   2.660
  476    HA3  GLY  66           HA1      GLY  66  -2.622 -11.478   2.403
  477    H    ARG  67           HN       ARG  67   0.009 -10.159   3.598
  478    HA   ARG  67           HA       ARG  67  -0.578 -11.021   6.321
  479    HB2  ARG  67           HB2      ARG  67   2.001 -10.641   4.811
  480    HB3  ARG  67           HB1      ARG  67   1.970 -10.886   6.562
  481    HG2  ARG  67           HG2      ARG  67   0.890 -13.048   6.170
  482    HG3  ARG  67           HG1      ARG  67   0.977 -12.763   4.428
  483    HD2  ARG  67           HD2      ARG  67   3.420 -12.533   4.626
  484    HD3  ARG  67           HD1      ARG  67   3.296 -12.921   6.340
  485    HE   ARG  67           HE       ARG  67   2.462 -14.774   4.211
  486   HH11  ARG  67          HH11      ARG  67   4.253 -14.105   7.185
  487   HH12  ARG  67          HH12      ARG  67   4.661 -15.732   7.458
  488   HH21  ARG  67          HH21      ARG  67   3.076 -16.956   4.533
  489   HH22  ARG  67          HH22      ARG  67   3.998 -17.419   5.873
  490    H    VAL  68           HN       VAL  68  -0.156  -8.171   4.522
  491    HA   VAL  68           HA       VAL  68   0.837  -6.682   6.769
  492    HB   VAL  68           HB       VAL  68   0.552  -4.648   5.347
  493   HG11  VAL  68          HG11      VAL  68   1.998  -6.916   4.005
  494   HG12  VAL  68          HG12      VAL  68   2.634  -5.868   5.274
  495   HG13  VAL  68          HG13      VAL  68   2.255  -5.200   3.685
  496   HG21  VAL  68          HG21      VAL  68  -0.421  -6.590   3.251
  497   HG22  VAL  68          HG22      VAL  68  -0.060  -4.884   2.986
  498   HG23  VAL  68          HG23      VAL  68  -1.392  -5.348   4.043
  499    H    ASP  69           HN       ASP  69  -0.261  -5.367   8.073
  500    HA   ASP  69           HA       ASP  69  -3.086  -6.000   8.268
  501    HB2  ASP  69           HB2      ASP  69  -1.310  -4.484  10.198
  502    HB3  ASP  69           HB1      ASP  69  -2.971  -4.965  10.501
  503    H    THR  70           HN       THR  70  -1.360  -2.968   8.974
  504    HA   THR  70           HA       THR  70  -3.637  -1.567   7.796
  505    HB   THR  70           HB       THR  70  -2.619   0.429   8.860
  506    HG1  THR  70           HG1      THR  70  -0.827  -1.268  10.251
  507   HG21  THR  70          HG21      THR  70  -3.047  -0.206  11.199
  508   HG22  THR  70          HG22      THR  70  -2.986  -1.910  10.738
  509   HG23  THR  70          HG23      THR  70  -4.267  -0.871  10.114
  510    HA   PRO  71           HA       PRO  71  -1.264  -0.109   4.273
  511    HB2  PRO  71           HB2      PRO  71  -1.975   2.646   5.187
  512    HB3  PRO  71           HB1      PRO  71  -2.160   1.920   3.582
  513    HG2  PRO  71           HG2      PRO  71  -4.276   2.236   5.115
  514    HG3  PRO  71           HG1      PRO  71  -4.060   0.724   4.205
  515    HD2  PRO  71           HD2      PRO  71  -3.580   1.263   7.116
  516    HD3  PRO  71           HD1      PRO  71  -4.319  -0.149   6.334
  517    H    ARG  72           HN       ARG  72  -0.965   1.459   7.395
  518    HA   ARG  72           HA       ARG  72   1.521   2.698   7.167
  519    HB2  ARG  72           HB2      ARG  72  -0.157   2.709   9.120
  520    HB3  ARG  72           HB1      ARG  72   0.628   1.226   9.636
  521    HG2  ARG  72           HG2      ARG  72   2.773   2.433   9.739
  522    HG3  ARG  72           HG1      ARG  72   1.921   3.923   9.322
  523    HD2  ARG  72           HD2      ARG  72   1.643   2.242  11.796
  524    HD3  ARG  72           HD1      ARG  72   2.155   3.920  11.673
  525    HE   ARG  72           HE       ARG  72  -0.588   2.917  11.329
  526   HH11  ARG  72          HH11      ARG  72   1.478   5.798  11.550
  527   HH12  ARG  72          HH12      ARG  72   0.289   6.746  12.287
  528   HH21  ARG  72          HH21      ARG  72  -2.180   4.191  12.467
  529   HH22  ARG  72          HH22      ARG  72  -1.831   5.796  12.895
  530    H    GLU  73           HN       GLU  73   0.694  -0.627   8.047
  531    HA   GLU  73           HA       GLU  73   3.305  -1.636   8.466
  532    HB2  GLU  73           HB2      GLU  73   1.302  -2.767   9.287
  533    HB3  GLU  73           HB1      GLU  73   0.729  -3.009   7.649
  534    HG2  GLU  73           HG2      GLU  73   1.580  -5.074   8.526
  535    HG3  GLU  73           HG1      GLU  73   2.633  -4.512   7.232
  536    H    LEU  74           HN       LEU  74   1.190  -1.557   5.662
  537    HA   LEU  74           HA       LEU  74   2.882  -3.002   3.909
  538    HB2  LEU  74           HB2      LEU  74   0.407  -2.670   3.653
  539    HB3  LEU  74           HB1      LEU  74   0.683  -0.994   3.286
  540    HG   LEU  74           HG       LEU  74   0.077  -2.538   1.372
  541   HD11  LEU  74          HD11      LEU  74   1.014  -0.323   0.958
  542   HD12  LEU  74          HD12      LEU  74   1.621  -1.480  -0.227
  543   HD13  LEU  74          HD13      LEU  74   2.648  -0.967   1.112
  544   HD21  LEU  74          HD21      LEU  74   1.473  -4.429   1.951
  545   HD22  LEU  74          HD22      LEU  74   2.928  -3.455   1.733
  546   HD23  LEU  74          HD23      LEU  74   1.900  -3.827   0.348
  547    H    LEU  75           HN       LEU  75   2.437   0.420   4.560
  548    HA   LEU  75           HA       LEU  75   4.227   1.610   2.794
  549    HB2  LEU  75           HB2      LEU  75   2.633   2.811   4.227
  550    HB3  LEU  75           HB1      LEU  75   3.556   2.362   5.639
  551    HG   LEU  75           HG       LEU  75   5.454   3.711   4.774
  552   HD11  LEU  75          HD11      LEU  75   4.933   3.623   2.419
  553   HD12  LEU  75          HD12      LEU  75   5.020   5.299   2.970
  554   HD13  LEU  75          HD13      LEU  75   3.453   4.538   2.690
  555   HD21  LEU  75          HD21      LEU  75   3.897   4.639   6.404
  556   HD22  LEU  75          HD22      LEU  75   2.840   5.175   5.098
  557   HD23  LEU  75          HD23      LEU  75   4.446   5.884   5.278
  558    H    ASP  76           HN       ASP  76   4.732   0.560   6.135
  559    HA   ASP  76           HA       ASP  76   7.446   1.155   6.368
  560    HB2  ASP  76           HB2      ASP  76   6.053   0.729   8.304
  561    HB3  ASP  76           HB1      ASP  76   5.782  -0.929   7.787
  562    H    LEU  77           HN       LEU  77   5.840  -1.741   5.249
  563    HA   LEU  77           HA       LEU  77   8.094  -3.398   5.001
  564    HB2  LEU  77           HB2      LEU  77   5.807  -4.242   4.934
  565    HB3  LEU  77           HB1      LEU  77   5.509  -3.381   3.440
  566    HG   LEU  77           HG       LEU  77   7.115  -4.852   2.277
  567   HD11  LEU  77          HD11      LEU  77   7.972  -6.849   3.397
  568   HD12  LEU  77          HD12      LEU  77   7.275  -6.301   4.922
  569   HD13  LEU  77          HD13      LEU  77   8.576  -5.381   4.167
  570   HD21  LEU  77          HD21      LEU  77   4.751  -5.416   2.322
  571   HD22  LEU  77          HD22      LEU  77   4.979  -6.303   3.828
  572   HD23  LEU  77          HD23      LEU  77   5.745  -6.872   2.345
  573    H    ILE  78           HN       ILE  78   6.595  -1.123   2.760
  574    HA   ILE  78           HA       ILE  78   8.408  -1.777   0.653
  575    HB   ILE  78           HB       ILE  78   6.427   0.517   0.888
  576   HG12  ILE  78          HG12      ILE  78   6.405  -2.104  -0.619
  577   HG13  ILE  78          HG11      ILE  78   5.404  -1.676   0.756
  578   HG21  ILE  78          HG21      ILE  78   8.072  -0.323  -1.516
  579   HG22  ILE  78          HG22      ILE  78   8.282   1.166  -0.598
  580   HG23  ILE  78          HG23      ILE  78   6.801   0.903  -1.518
  581   HD11  ILE  78          HD11      ILE  78   4.160  -1.619  -1.314
  582   HD12  ILE  78          HD12      ILE  78   5.287  -0.448  -1.984
  583   HD13  ILE  78          HD13      ILE  78   4.260  -0.001  -0.615
  584    H    ASN  79           HN       ASN  79   8.116   0.843   2.988
  585    HA   ASN  79           HA       ASN  79  10.293   2.356   2.053
  586    HB2  ASN  79           HB2      ASN  79   9.120   2.141   4.818
  587    HB3  ASN  79           HB1      ASN  79  10.458   3.206   4.445
  588   HD21  ASN  79          HD21      ASN  79   7.980   3.960   5.459
  589   HD22  ASN  79          HD22      ASN  79   7.197   5.007   4.311
  590    H    GLY  80           HN       GLY  80  10.168  -0.379   4.248
  591    HA2  GLY  80           HA2      GLY  80  12.873  -0.334   5.034
  592    HA3  GLY  80           HA1      GLY  80  11.841  -1.762   5.006
  593    H    ALA  81           HN       ALA  81  11.232  -1.753   2.279
  594    HA   ALA  81           HA       ALA  81  13.557  -3.026   1.212
  595    HB1  ALA  81           HB1      ALA  81  11.297  -3.864   0.747
  596    HB2  ALA  81           HB2      ALA  81  12.160  -3.478  -0.742
  597    HB3  ALA  81           HB3      ALA  81  10.928  -2.379  -0.126
  598    H    LEU  82           HN       LEU  82  12.236   0.125   1.091
  599    HA   LEU  82           HA       LEU  82  13.442   0.994  -1.321
  600    HB2  LEU  82           HB2      LEU  82  12.359   2.582   0.991
  601    HB3  LEU  82           HB1      LEU  82  12.977   3.304  -0.475
  602    HG   LEU  82           HG       LEU  82  10.569   1.513  -0.233
  603   HD11  LEU  82          HD11      LEU  82  10.835   4.436  -0.906
  604   HD12  LEU  82          HD12      LEU  82  10.198   3.762   0.594
  605   HD13  LEU  82          HD13      LEU  82   9.337   3.506  -0.923
  606   HD21  LEU  82          HD21      LEU  82  11.763   2.826  -2.668
  607   HD22  LEU  82          HD22      LEU  82  10.230   1.956  -2.613
  608   HD23  LEU  82          HD23      LEU  82  11.745   1.098  -2.321
  609    H    ALA  83           HN       ALA  83  14.737   0.369   1.712
  610    HA   ALA  83           HA       ALA  83  16.822   2.262   1.772
  611    HB1  ALA  83           HB1      ALA  83  17.995   0.676   3.248
  612    HB2  ALA  83           HB2      ALA  83  16.835  -0.582   2.814
  613    HB3  ALA  83           HB3      ALA  83  16.300   0.837   3.713
  614    H    GLU  84           HN       GLU  84  16.629  -1.009   0.395
  615    HA   GLU  84           HA       GLU  84  19.042  -0.519  -1.121
  616    HB2  GLU  84           HB2      GLU  84  17.135  -2.871  -1.161
  617    HB3  GLU  84           HB1      GLU  84  18.603  -2.763  -2.113
  618    HG2  GLU  84           HG2      GLU  84  19.884  -2.603   0.015
  619    HG3  GLU  84           HG1      GLU  84  18.377  -2.920   0.879
  620    H    ALA  85           HN       ALA  85  15.834  -1.683  -2.104
  621    HA   ALA  85           HA       ALA  85  14.555  -1.404  -3.927
  622    HB1  ALA  85           HB1      ALA  85  14.131   0.877  -4.676
  623    HB2  ALA  85           HB2      ALA  85  15.602   1.432  -3.879
  624    HB3  ALA  85           HB3      ALA  85  14.255   0.827  -2.917
  625    H    ALA  86           HN       ALA  86  14.583  -0.328  -6.307
  626    HA   ALA  86           HA       ALA  86  17.101  -1.207  -7.488
  627    HB1  ALA  86           HB1      ALA  86  14.379  -0.828  -8.762
  628    HB2  ALA  86           HB2      ALA  86  15.095  -2.374  -8.315
  629    HB3  ALA  86           HB3      ALA  86  15.829  -1.397  -9.593
  630   H281  PSR  87          H28A      PSR  87  -6.177 -11.412  -6.922
  631   H282  PSR  87          H28B      PSR  87  -6.147 -10.449  -5.445
  632   H301  PSR  87          H30A      PSR  87  -3.739 -10.395  -5.526
  633   H302  PSR  87          H30B      PSR  87  -3.772 -11.339  -7.023
  634   H303  PSR  87          H30C      PSR  87  -2.782 -11.865  -5.652
  635   H311  PSR  87          H31A      PSR  87  -3.833 -12.647  -3.561
  636   H312  PSR  87          H31B      PSR  87  -5.592 -12.606  -3.415
  637   H313  PSR  87          H31C      PSR  87  -4.679 -11.103  -3.542
  638   H321  PSR  87          H32A      PSR  87  -3.825 -14.111  -5.729
  639   H331  PSR  87          H33A      PSR  87  -5.421 -14.464  -7.630
  640   H361  PSR  87          H36A      PSR  87  -5.073 -14.536  -3.631
  641   H371  PSR  87          H37A      PSR  87  -7.788 -15.493  -3.695
  642   H372  PSR  87          H37B      PSR  87  -6.570 -16.763  -3.586
  643   H381  PSR  87          H38A      PSR  87  -7.301 -16.145  -1.361
  644   H382  PSR  87          H38B      PSR  87  -5.614 -15.675  -1.587
  645   H411  PSR  87          H41A      PSR  87  -5.795 -14.226   0.119
  646   H421  PSR  87          H42A      PSR  87  -6.562 -11.541  -0.532
  647   H422  PSR  87          H42B      PSR  87  -7.594 -12.279   0.685
  648   H431  PSR  87          H43A      PSR  87  -4.599 -11.911   0.900
  649   H432  PSR  87          H43B      PSR  87  -5.605 -12.814   2.036
  650   HC21  PSR  87          H2A       PSR  87  -4.013 -10.474   0.286
  651   HC22  PSR  87          H2B       PSR  87  -3.752  -8.749   0.463
  652   HC31  PSR  87          H3A       PSR  87  -5.030  -8.318  -1.573
  653   HC32  PSR  87          H3B       PSR  87  -5.272 -10.063  -1.778
  654   HC41  PSR  87          H4C       PSR  87  -2.618  -8.630  -1.680
  655   HC42  PSR  87          H4A       PSR  87  -3.404  -9.244  -3.133
  656   HC43  PSR  87          H4B       PSR  87  -2.849 -10.364  -1.891