*HEADER    LIGASE                                  24-AUG-07   2JUG              
*TITLE     MULTIENZYME DOCKING IN HYBRID MEGASYNTHETASES                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TUBC PROTEIN;                                              
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 2-74;                           
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ANGIOCOCCUS DISCIFORMIS;                        
*SOURCE   3 STRAIN: AN D48;                                                      
*SOURCE   4 GENE: TUBC;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VARIANT: DE3;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PGEX-6P-1                                  
*KEYWDS    DOCKING DOMAIN, DIMER, NONRIBOSOMAL PEPTIDE SYNTHETASE,               
*KEYWDS   2 TUBULYSIN, LIGASE, PHOSPHOPANTETHEINE                                
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    C.D.RICHTER, D.NIETLISPACH, R.W.BROADHURST, K.J.WEISSMAN              
*REVDAT   1   11-DEC-07 2JUG    0                                                


 ASSI {    1}
   (  segid "A   " and resid 32   and name HB% )
   (( segid "A   " and resid 32   and name HN  ))
      3.300     1.400     1.400 peak     1 spectrum    1 weight  0.10000E+01 volume  0.17914E-02 ppm1      1.490 ppm2      9.123 CV     1
 ASSI {   15}
   (  segid "A   " and resid 30   and name HD% )
   (( segid "A   " and resid 30   and name HB2 ))
      2.300     0.700     0.700 peak    15 spectrum    1 weight  0.10000E+01 volume  0.11066E-01 ppm1      6.745 ppm2      2.796 CV     1
 OR {   15}
   (  segid "A   " and resid 30   and name HD% )
   (( segid "A   " and resid 30   and name HB3 ))
 ASSI {   24}
   (  segid "A   " and resid 30   and name HD% )
   (  segid "A   " and resid 30   and name HE% )
      2.200     0.600     0.600 peak    24 spectrum    1 weight  0.10000E+01 volume  0.11438E-01 ppm1      6.744 ppm2      7.229 CV     1
 ASSI {   34}
   (  segid "A   " and resid 53   and name HD1%)
   (( segid "A   " and resid 53   and name HN  ))
      3.100     1.200     1.200 peak    34 spectrum    1 weight  0.10000E+01 volume  0.86395E-02 ppm1      0.796 ppm2      8.527 CV     1
 ASSI {   41}
   (  segid "A   " and resid 53   and name HD1%)
   (( segid "A   " and resid 53   and name HA  ))
      3.600     1.600     1.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.60863E-02 ppm1      0.796 ppm2      3.504 CV     1
 ASSI {   43}
   (  segid "A   " and resid 53   and name HD1%)
   (( segid "A   " and resid 53   and name HG12))
      1.900     0.500     0.500 peak    43 spectrum    1 weight  0.10000E+01 volume  0.36105E-01 ppm1      0.796 ppm2      1.886 CV     1
 ASSI {   45}
   (  segid "A   " and resid 53   and name HG2%)
   (( segid "A   " and resid 53   and name HG12))
      2.000     0.500     0.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.29243E-01 ppm1      0.885 ppm2      1.891 CV     1
 ASSI {   47}
   (  segid "A   " and resid 53   and name HG2%)
   (( segid "A   " and resid 53   and name HA  ))
      2.500     0.800     0.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.91519E-02 ppm1      0.885 ppm2      3.503 CV     1
 ASSI {   52}
   (  segid "A   " and resid 53   and name HG2%)
   (( segid "A   " and resid 53   and name HN  ))
      3.600     1.600     1.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.51158E-02 ppm1      0.885 ppm2      8.543 CV     1
 ASSI {   56}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 29   and name HB3 ))
      2.700     0.900     0.900 peak    56 spectrum    1 weight  0.10000E+01 volume  0.44219E-02 ppm1      1.099 ppm2     -0.464 CV     1
 OR {   56}
   (( segid "A   " and resid 29   and name HG3 ))
   (( segid "A   " and resid 29   and name HB3 ))
 OR {   56}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 29   and name HB2 ))
 OR {   56}
   (( segid "A   " and resid 29   and name HG3 ))
   (( segid "A   " and resid 29   and name HB2 ))
 ASSI {   62}
   (( segid "A   " and resid 29   and name HB2 ))
   (( segid "A   " and resid 29   and name HN  ))
      3.000     1.100     1.100 peak    62 spectrum    1 weight  0.10000E+01 volume  0.20363E-02 ppm1      0.252 ppm2      8.708 CV     1
 OR {   62}
   (( segid "A   " and resid 29   and name HB3 ))
   (( segid "A   " and resid 29   and name HN  ))
 ASSI {   65}
   (( segid "A   " and resid 29   and name HB3 ))
   (( segid "A   " and resid 29   and name HA  ))
      2.900     1.100     1.100 peak    65 spectrum    1 weight  0.10000E+01 volume  0.31248E-02 ppm1      0.253 ppm2      4.346 CV     1
 OR {   65}
   (( segid "A   " and resid 29   and name HB2 ))
   (( segid "A   " and resid 29   and name HA  ))
 ASSI {   67}
   (( segid "A   " and resid 22   and name HZ2 ))
   (( segid "A   " and resid 22   and name HH2 ))
      2.400     0.700     0.700 peak    67 spectrum    1 weight  0.10000E+01 volume  0.11596E-01 ppm1      7.268 ppm2      6.908 CV     1
 ASSI {   68}
   (( segid "A   " and resid 22   and name HZ2 ))
   (( segid "A   " and resid 22   and name HE1 ))
      2.800     1.000     1.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.54287E-02 ppm1      7.269 ppm2     10.655 CV     1
 ASSI {   70}
   (( segid "A   " and resid 22   and name HH2 ))
   (( segid "A   " and resid 22   and name HZ3 ))
      2.100     0.600     0.600 peak    70 spectrum    1 weight  0.10000E+01 volume  0.21175E-01 ppm1      6.904 ppm2      6.743 CV     1
 ASSI {   71}
   (( segid "A   " and resid 22   and name HZ3 ))
   (( segid "A   " and resid 22   and name HE3 ))
      2.500     0.800     0.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.75103E-02 ppm1      6.740 ppm2      7.091 CV     1
 ASSI {   76}
   (( segid "A   " and resid 22   and name HE3 ))
   (( segid "A   " and resid 22   and name HN  ))
      3.000     1.100     1.100 peak    76 spectrum    1 weight  0.10000E+01 volume  0.31294E-02 ppm1      7.089 ppm2      8.592 CV     1
 ASSI {   83}
   (( segid "A   " and resid 22   and name HE3 ))
   (( segid "A   " and resid 22   and name HB3 ))
      2.900     1.100     1.100 peak    83 spectrum    1 weight  0.10000E+01 volume  0.34241E-02 ppm1      7.088 ppm2      3.426 CV     1
 OR {   83}
   (( segid "A   " and resid 22   and name HE3 ))
   (( segid "A   " and resid 22   and name HB2 ))
 ASSI {   89}
   (( segid "A   " and resid 22   and name HE3 ))
   (( segid "A   " and resid 22   and name HA  ))
      4.100     2.100     1.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.11701E-02 ppm1      7.088 ppm2      4.903 CV     1
 ASSI {   93}
   (( segid "A   " and resid 22   and name HD1 ))
   (( segid "A   " and resid 22   and name HE1 ))
      2.500     0.800     0.800 peak    93 spectrum    1 weight  0.10000E+01 volume  0.10282E-01 ppm1      6.975 ppm2     10.655 CV     1
 ASSI {  118}
   (( segid "A   " and resid 30   and name HZ  ))
   (  segid "A   " and resid 30   and name HD% )
      3.800     1.800     1.800 peak   118 spectrum    1 weight  0.10000E+01 volume  0.20726E-02 ppm1      7.278 ppm2      6.751 CV     1
 ASSI {  125}
   (( segid "A   " and resid 13   and name HE1 ))
   (( segid "A   " and resid 13   and name HN  ))
      4.400     2.500     1.600 peak   125 spectrum    1 weight  0.10000E+01 volume  0.88893E-03 ppm1      6.587 ppm2      8.357 CV     1
 ASSI {  127}
   (( segid "A   " and resid 13   and name HE1 ))
   (( segid "A   " and resid 13   and name HB2 ))
      3.200     1.300     1.300 peak   127 spectrum    1 weight  0.10000E+01 volume  0.51248E-02 ppm1      6.588 ppm2      3.310 CV     1
 OR {  127}
   (( segid "A   " and resid 13   and name HE1 ))
   (( segid "A   " and resid 13   and name HB3 ))
 ASSI {  145}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 30   and name HN  ))
      3.100     1.200     1.200 peak   145 spectrum    1 weight  0.10000E+01 volume  0.18821E-02 ppm1      5.851 ppm2      7.371 CV     1
 ASSI {  147}
   (( segid "A   " and resid 30   and name HA  ))
   (  segid "A   " and resid 30   and name HD% )
      2.900     1.000     1.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.45171E-02 ppm1      5.852 ppm2      6.746 CV     1
 ASSI {  150}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 30   and name HB2 ))
      2.200     0.600     0.600 peak   150 spectrum    1 weight  0.10000E+01 volume  0.15302E-01 ppm1      5.852 ppm2      2.798 CV     1
 OR {  150}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 30   and name HB3 ))
 ASSI {  161}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 21   and name HN  ))
      3.000     1.200     1.200 peak   161 spectrum    1 weight  0.10000E+01 volume  0.21633E-02 ppm1      5.584 ppm2      8.070 CV     1
 ASSI {  166}
   (( segid "A   " and resid 21   and name HA  ))
   (  segid "A   " and resid 21   and name HD2%)
      2.800     1.000     1.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.12790E-01 ppm1      5.585 ppm2      0.858 CV     1
 OR {  166}
   (( segid "A   " and resid 21   and name HA  ))
   (  segid "A   " and resid 21   and name HD1%)
 ASSI {  168}
   (( segid "A   " and resid 20   and name HA  ))
   (( segid "A   " and resid 20   and name HB3 ))
      2.600     0.800     0.800 peak   168 spectrum    1 weight  0.10000E+01 volume  0.64401E-02 ppm1      5.066 ppm2      2.035 CV     1
 OR {  168}
   (( segid "A   " and resid 20   and name HA  ))
   (( segid "A   " and resid 20   and name HB2 ))
 ASSI {  170}
   (( segid "A   " and resid 48   and name HA  ))
   (  segid "A   " and resid 48   and name HB% )
      2.000     0.500     0.500 peak   170 spectrum    1 weight  0.10000E+01 volume  0.31053E-01 ppm1      4.943 ppm2      1.395 CV     1
 ASSI {  180}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 48   and name HN  ))
      2.400     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.11950E-01 ppm1      4.943 ppm2      7.288 CV     1
 ASSI {  181}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 22   and name HB2 ))
      2.300     0.700     0.700 peak   181 spectrum    1 weight  0.10000E+01 volume  0.13211E-01 ppm1      4.899 ppm2      3.420 CV     1
 OR {  181}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 22   and name HB3 ))
 ASSI {  188}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 22   and name HD1 ))
      3.900     1.900     1.900 peak   188 spectrum    1 weight  0.10000E+01 volume  0.27665E-02 ppm1      4.899 ppm2      6.999 CV     1
 ASSI {  190}
   (( segid "A   " and resid 32   and name HA  ))
   (  segid "A   " and resid 32   and name HB% )
      2.200     0.600     0.600 peak   190 spectrum    1 weight  0.10000E+01 volume  0.14540E-01 ppm1      5.217 ppm2      1.490 CV     1
 ASSI {  200}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.41226E-02 ppm1      4.247 ppm2      7.841 CV     1
 ASSI {  203}
   (( segid "A   " and resid 19   and name HA  ))
   (  segid "A   " and resid 19   and name HG1%)
      2.100     0.500     0.500 peak   203 spectrum    1 weight  0.10000E+01 volume  0.20871E-01 ppm1      4.247 ppm2      0.865 CV     1
 OR {  203}
   (( segid "A   " and resid 19   and name HA  ))
   (  segid "A   " and resid 19   and name HG2%)
 ASSI {  206}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 33   and name HD2 ))
      3.700     1.700     1.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.12472E-02 ppm1      4.886 ppm2      3.241 CV     1
 ASSI {  207}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 33   and name HB3 ))
      2.400     0.700     0.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.10390E-01 ppm1      4.885 ppm2      2.635 CV     1
 OR {  207}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 33   and name HB2 ))
 ASSI {  208}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 33   and name HD3 ))
      2.400     2.400     3.600 peak   208 spectrum    1 weight  0.10000E+01 volume  0.14630E-01 ppm1      4.885 ppm2      3.951 CV     1
 ASSI {  211}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 33   and name HG3 ))
      2.800     1.000     1.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.10254E-01 ppm1      4.885 ppm2      2.179 CV     1
 OR {  211}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 33   and name HG2 ))
 ASSI {  214}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HD3 ))
      3.100     1.200     1.200 peak   214 spectrum    1 weight  0.10000E+01 volume  0.28572E-02 ppm1      4.402 ppm2      3.736 CV     1
 ASSI {  215}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HB3 ))
      2.400     0.700     0.700 peak   215 spectrum    1 weight  0.10000E+01 volume  0.10078E-01 ppm1      4.389 ppm2      2.387 CV     1
 OR {  215}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HB2 ))
 ASSI {  216}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HG3 ))
      3.200     1.300     1.300 peak   216 spectrum    1 weight  0.10000E+01 volume  0.69707E-02 ppm1      4.390 ppm2      2.135 CV     1
 OR {  216}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 34   and name HG2 ))
 ASSI {  223}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 50   and name HB3 ))
      2.200     0.600     0.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.17293E-01 ppm1      4.316 ppm2      3.190 CV     1
 OR {  223}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 50   and name HB2 ))
 ASSI {  227}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 50   and name HN  ))
      2.600     0.900     0.900 peak   227 spectrum    1 weight  0.10000E+01 volume  0.49162E-02 ppm1      4.316 ppm2      8.542 CV     1
 ASSI {  233}
   (( segid "A   " and resid 50   and name HB2 ))
   (( segid "A   " and resid 50   and name HE1 ))
      3.600     1.600     1.600 peak   233 spectrum    1 weight  0.10000E+01 volume  0.37416E-02 ppm1      3.190 ppm2      7.222 CV     1
 OR {  233}
   (( segid "A   " and resid 50   and name HB3 ))
   (( segid "A   " and resid 50   and name HE1 ))
 ASSI {  234}
   (( segid "A   " and resid 50   and name HB3 ))
   (( segid "A   " and resid 50   and name HN  ))
      2.800     0.900     0.900 peak   234 spectrum    1 weight  0.10000E+01 volume  0.48074E-02 ppm1      3.189 ppm2      8.545 CV     1
 OR {  234}
   (( segid "A   " and resid 50   and name HB2 ))
   (( segid "A   " and resid 50   and name HN  ))
 ASSI {  243}
   (( segid "A   " and resid 22   and name HB2 ))
   (( segid "A   " and resid 22   and name HD1 ))
      2.700     0.900     0.900 peak   243 spectrum    1 weight  0.10000E+01 volume  0.63720E-02 ppm1      3.421 ppm2      7.013 CV     1
 OR {  243}
   (( segid "A   " and resid 22   and name HB3 ))
   (( segid "A   " and resid 22   and name HD1 ))
 ASSI {  254}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 26   and name HN  ))
      3.100     1.200     1.200 peak   254 spectrum    1 weight  0.10000E+01 volume  0.27574E-02 ppm1      4.239 ppm2      8.806 CV     1
 ASSI {  257}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 26   and name HG3 ))
      2.500     0.800     0.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.16086E-01 ppm1      4.238 ppm2      2.307 CV     1
 OR {  257}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 26   and name HG2 ))
 ASSI {  258}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 26   and name HB2 ))
      2.600     0.800     0.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.84537E-02 ppm1      4.237 ppm2      1.917 CV     1
 OR {  258}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 26   and name HB3 ))
 ASSI {  267}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HB2 ))
      2.200     0.600     0.600 peak   267 spectrum    1 weight  0.10000E+01 volume  0.19316E-01 ppm1      3.899 ppm2      1.695 CV     1
 OR {  267}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HB3 ))
 ASSI {  269}
   (( segid "A   " and resid 11   and name HA  ))
   (  segid "A   " and resid 11   and name HD2%)
      2.000     0.500     0.500 peak   269 spectrum    1 weight  0.10000E+01 volume  0.34876E-01 ppm1      3.899 ppm2      0.909 CV     1
 ASSI {  271}
   (( segid "A   " and resid 45   and name HA  ))
   (( segid "A   " and resid 45   and name HN  ))
      2.600     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.62359E-02 ppm1      3.860 ppm2      8.416 CV     1
 ASSI {  274}
   (( segid "A   " and resid 45   and name HA  ))
   (  segid "A   " and resid 45   and name HD2%)
      2.300     0.700     0.700 peak   274 spectrum    1 weight  0.10000E+01 volume  0.13035E-01 ppm1      3.858 ppm2      0.623 CV     1
 ASSI {  275}
   (( segid "A   " and resid 45   and name HA  ))
   (( segid "A   " and resid 45   and name HB3 ))
      2.200     0.600     0.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.17166E-01 ppm1      3.862 ppm2      1.737 CV     1
 OR {  275}
   (( segid "A   " and resid 45   and name HA  ))
   (( segid "A   " and resid 45   and name HB2 ))
 ASSI {  277}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 36   and name HN  ))
      2.600     0.800     0.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.63720E-02 ppm1      3.932 ppm2      7.430 CV     1
 ASSI {  280}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 36   and name HB  ))
      2.600     0.800     0.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.68663E-02 ppm1      3.932 ppm2      1.980 CV     1
 ASSI {  283}
   (( segid "A   " and resid 36   and name HA  ))
   (  segid "A   " and resid 36   and name HG1%)
      1.800     0.400     0.400 peak   283 spectrum    1 weight  0.10000E+01 volume  0.74550E-01 ppm1      3.932 ppm2      0.962 CV     1
 ASSI {  285}
   (( segid "A   " and resid 38   and name HB  ))
   (  segid "A   " and resid 38   and name HG2%)
      2.800     1.000     1.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.38595E-02 ppm1      4.767 ppm2      1.375 CV     1
 ASSI {  287}
   (( segid "A   " and resid 21   and name HG  ))
   (( segid "A   " and resid 21   and name HA  ))
      2.600     0.800     0.800 peak   287 spectrum    1 weight  0.10000E+01 volume  0.38323E-02 ppm1      1.690 ppm2      5.588 CV     1
 ASSI {  290}
   (( segid "A   " and resid 21   and name HB3 ))
   (( segid "A   " and resid 21   and name HA  ))
      2.100     0.600     0.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.17701E-01 ppm1      1.603 ppm2      5.586 CV     1
 OR {  290}
   (( segid "A   " and resid 21   and name HB2 ))
   (( segid "A   " and resid 21   and name HA  ))
 ASSI {  292}
   (( segid "A   " and resid 21   and name HB3 ))
   (  segid "A   " and resid 21   and name HD2%)
      2.100     0.600     0.600 peak   292 spectrum    1 weight  0.10000E+01 volume  0.19116E-01 ppm1      1.508 ppm2      0.849 CV     1
 OR {  292}
   (( segid "A   " and resid 21   and name HB2 ))
   (  segid "A   " and resid 21   and name HD1%)
 OR {  292}
   (( segid "A   " and resid 21   and name HB2 ))
   (  segid "A   " and resid 21   and name HD2%)
 ASSI {  294}
   (( segid "A   " and resid 21   and name HB2 ))
   (( segid "A   " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.49071E-02 ppm1      1.602 ppm2      8.064 CV     1
 OR {  294}
   (( segid "A   " and resid 21   and name HB3 ))
   (( segid "A   " and resid 21   and name HN  ))
 ASSI {  298}
   (  segid "A   " and resid 21   and name HD1%)
   (( segid "A   " and resid 21   and name HA  ))
      2.900     1.100     1.100 peak   298 spectrum    1 weight  0.10000E+01 volume  0.75875E-02 ppm1      0.862 ppm2      5.586 CV     1
 ASSI {  304}
   (  segid "A   " and resid 21   and name HD2%)
   (( segid "A   " and resid 21   and name HN  ))
      3.800     1.800     1.800 peak   304 spectrum    1 weight  0.10000E+01 volume  0.36237E-02 ppm1      0.856 ppm2      8.075 CV     1
 ASSI {  305}
   (  segid "A   " and resid 10   and name HD2%)
   (( segid "A   " and resid 10   and name HN  ))
      4.100     2.100     1.900 peak   305 spectrum    1 weight  0.10000E+01 volume  0.28073E-02 ppm1      0.809 ppm2      7.947 CV     1
 ASSI {  306}
   (  segid "A   " and resid 41   and name HD2%)
   (( segid "A   " and resid 41   and name HN  ))
      3.900     1.900     1.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.26804E-02 ppm1      0.922 ppm2      7.846 CV     1
 ASSI {  314}
   (( segid "A   " and resid 29   and name HB2 ))
   (( segid "A   " and resid 29   and name HD3 ))
      3.300     1.300     1.300 peak   314 spectrum    1 weight  0.10000E+01 volume  0.23221E-02 ppm1      0.251 ppm2      2.862 CV     1
 OR {  314}
   (( segid "A   " and resid 29   and name HB2 ))
   (( segid "A   " and resid 29   and name HD2 ))
 OR {  314}
   (( segid "A   " and resid 29   and name HB3 ))
   (( segid "A   " and resid 29   and name HD3 ))
 OR {  314}
   (( segid "A   " and resid 29   and name HB3 ))
   (( segid "A   " and resid 29   and name HD2 ))
 ASSI {  327}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 29   and name HD3 ))
      2.600     0.900     0.900 peak   327 spectrum    1 weight  0.10000E+01 volume  0.53199E-02 ppm1      1.099 ppm2      2.873 CV     1
 OR {  327}
   (( segid "A   " and resid 29   and name HG3 ))
   (( segid "A   " and resid 29   and name HD2 ))
 OR {  327}
   (( segid "A   " and resid 29   and name HG3 ))
   (( segid "A   " and resid 29   and name HD3 ))
 OR {  327}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 29   and name HD2 ))
 ASSI {  336}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 29   and name HA  ))
      3.500     1.600     1.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.36237E-02 ppm1      2.894 ppm2      4.353 CV     1
 ASSI {  337}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 29   and name HA  ))
      2.600     0.800     0.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.40363E-02 ppm1      2.844 ppm2      4.353 CV     1
 ASSI {  344}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 29   and name HG2 ))
      2.400     0.700     0.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.82451E-02 ppm1      2.894 ppm2      0.968 CV     1
 OR {  344}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 29   and name HG3 ))
 ASSI {  345}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 29   and name HG3 ))
      2.500     0.800     0.800 peak   345 spectrum    1 weight  0.10000E+01 volume  0.83948E-02 ppm1      2.846 ppm2      0.971 CV     1
 OR {  345}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 29   and name HG2 ))
 ASSI {  346}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 29   and name HB2 ))
      3.100     1.200     1.200 peak   346 spectrum    1 weight  0.10000E+01 volume  0.24128E-02 ppm1      2.895 ppm2      0.257 CV     1
 OR {  346}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 29   and name HB3 ))
 ASSI {  347}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 29   and name HB2 ))
      3.400     1.400     1.400 peak   347 spectrum    1 weight  0.10000E+01 volume  0.26214E-02 ppm1      2.844 ppm2      0.255 CV     1
 OR {  347}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 29   and name HB3 ))
 ASSI {  355}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 29   and name HN  ))
      3.500     1.500     1.500 peak   355 spectrum    1 weight  0.10000E+01 volume  0.10386E-02 ppm1      2.892 ppm2      8.690 CV     1
 ASSI {  356}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 29   and name HN  ))
      3.400     1.400     1.400 peak   356 spectrum    1 weight  0.10000E+01 volume  0.11973E-02 ppm1      2.845 ppm2      8.696 CV     1
 ASSI {  359}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 29   and name HD2 ))
      3.100     1.200     1.200 peak   359 spectrum    1 weight  0.10000E+01 volume  0.21406E-02 ppm1      4.332 ppm2      2.865 CV     1
 OR {  359}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 29   and name HD3 ))
 ASSI {  360}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 29   and name HN  ))
      3.700     1.700     1.700 peak   360 spectrum    1 weight  0.10000E+01 volume  0.65761E-03 ppm1      4.336 ppm2      8.719 CV     1
 ASSI {  362}
   (  segid "A   " and resid 45   and name HD1%)
   (( segid "A   " and resid 45   and name HB2 ))
      2.200     0.600     0.600 peak   362 spectrum    1 weight  0.10000E+01 volume  0.17402E-01 ppm1      0.403 ppm2      1.749 CV     1
 OR {  362}
   (  segid "A   " and resid 45   and name HD1%)
   (( segid "A   " and resid 45   and name HB3 ))
 ASSI {  369}
   (  segid "A   " and resid 45   and name HD1%)
   (( segid "A   " and resid 45   and name HA  ))
      4.000     2.000     2.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.24808E-02 ppm1      0.403 ppm2      3.863 CV     1
 ASSI {  374}
   (  segid "A   " and resid 45   and name HD1%)
   (( segid "A   " and resid 45   and name HN  ))
      3.600     1.700     1.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.25669E-02 ppm1      0.403 ppm2      8.420 CV     1
 ASSI {  377}
   (  segid "A   " and resid 45   and name HD1%)
   (  segid "A   " and resid 45   and name HD2%)
      2.500     0.800     0.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.83948E-02 ppm1      0.403 ppm2      0.637 CV     1
 ASSI {  380}
   (  segid "A   " and resid 45   and name HD2%)
   (( segid "A   " and resid 45   and name HB3 ))
      2.200     0.600     0.600 peak   380 spectrum    1 weight  0.10000E+01 volume  0.23334E-01 ppm1      0.622 ppm2      1.756 CV     1
 OR {  380}
   (  segid "A   " and resid 45   and name HD2%)
   (( segid "A   " and resid 45   and name HB2 ))
 ASSI {  389}
   (  segid "A   " and resid 45   and name HD2%)
   (( segid "A   " and resid 45   and name HN  ))
      3.500     1.500     1.500 peak   389 spectrum    1 weight  0.10000E+01 volume  0.38912E-02 ppm1      0.622 ppm2      8.417 CV     1
 ASSI {  394}
   (( segid "A   " and resid 22   and name HZ3 ))
   (( segid "A   " and resid 22   and name HN  ))
      4.900     3.000     1.100 peak   394 spectrum    1 weight  0.10000E+01 volume  0.42178E-03 ppm1      6.739 ppm2      8.611 CV     1
 ASSI {  396}
   (( segid "A   " and resid 22   and name HZ3 ))
   (( segid "A   " and resid 22   and name HB3 ))
      3.900     1.900     1.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.28572E-03 ppm1      6.742 ppm2      3.443 CV     1
 ASSI {  401}
   (  segid "A   " and resid 17   and name HD1%)
   (( segid "A   " and resid 17   and name HA  ))
      3.900     1.900     1.900 peak   401 spectrum    1 weight  0.10000E+01 volume  0.39457E-02 ppm1      0.631 ppm2      4.356 CV     1
 ASSI {  408}
   (  segid "A   " and resid 17   and name HD1%)
   (( segid "A   " and resid 17   and name HB2 ))
      2.400     0.700     0.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.11801E-01 ppm1      0.631 ppm2      1.748 CV     1
 OR {  408}
   (  segid "A   " and resid 17   and name HD1%)
   (( segid "A   " and resid 17   and name HB3 ))
 ASSI {  409}
   (  segid "A   " and resid 17   and name HD1%)
   (( segid "A   " and resid 17   and name HG  ))
      2.000     0.500     0.500 peak   409 spectrum    1 weight  0.10000E+01 volume  0.26549E-01 ppm1      0.631 ppm2      1.554 CV     1
 ASSI {  411}
   (  segid "A   " and resid 17   and name HD1%)
   (( segid "A   " and resid 17   and name HN  ))
      3.700     1.700     1.700 peak   411 spectrum    1 weight  0.10000E+01 volume  0.37325E-02 ppm1      0.630 ppm2      7.318 CV     1
 ASSI {  416}
   (  segid "A   " and resid 17   and name HD2%)
   (( segid "A   " and resid 17   and name HG  ))
      2.100     0.500     0.500 peak   416 spectrum    1 weight  0.10000E+01 volume  0.21996E-01 ppm1      0.803 ppm2      1.561 CV     1
 ASSI {  420}
   (  segid "A   " and resid 17   and name HD2%)
   (  segid "A   " and resid 17   and name HD1%)
      3.000     1.100     1.100 peak   420 spectrum    1 weight  0.10000E+01 volume  0.38595E-02 ppm1      0.803 ppm2      0.585 CV     1
 ASSI {  423}
   (  segid "A   " and resid 17   and name HD2%)
   (( segid "A   " and resid 17   and name HN  ))
      3.600     1.600     1.600 peak   423 spectrum    1 weight  0.10000E+01 volume  0.35285E-02 ppm1      0.803 ppm2      7.318 CV     1
 ASSI {  429}
   (( segid "A   " and resid 29   and name HG3 ))
   (( segid "A   " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak   429 spectrum    1 weight  0.10000E+01 volume  0.34967E-02 ppm1      0.959 ppm2      4.363 CV     1
 OR {  429}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 29   and name HA  ))
 ASSI {  431}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 29   and name HN  ))
      3.200     1.300     1.300 peak   431 spectrum    1 weight  0.10000E+01 volume  0.46985E-02 ppm1      0.957 ppm2      8.693 CV     1
 OR {  431}
   (( segid "A   " and resid 29   and name HG3 ))
   (( segid "A   " and resid 29   and name HN  ))
 ASSI {  453}
   (( segid "A   " and resid 33   and name HD3 ))
   (( segid "A   " and resid 33   and name HD2 ))
      1.700     0.400     0.500 peak   453 spectrum    1 weight  0.10000E+01 volume  0.14871E-01 ppm1      3.989 ppm2      3.250 CV     1
 ASSI {  456}
   (( segid "A   " and resid 33   and name HD2 ))
   (( segid "A   " and resid 33   and name HG2 ))
      2.300     0.700     0.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.89884E-02 ppm1      3.248 ppm2      2.261 CV     1
 OR {  456}
   (( segid "A   " and resid 33   and name HD2 ))
   (( segid "A   " and resid 33   and name HG3 ))
 ASSI {  466}
   (( segid "A   " and resid 33   and name HB2 ))
   (( segid "A   " and resid 33   and name HD3 ))
      3.300     1.300     1.300 peak   466 spectrum    1 weight  0.10000E+01 volume  0.53516E-02 ppm1      2.633 ppm2      3.961 CV     1
 OR {  466}
   (( segid "A   " and resid 33   and name HB3 ))
   (( segid "A   " and resid 33   and name HD3 ))
 ASSI {  468}
   (( segid "A   " and resid 33   and name HB2 ))
   (( segid "A   " and resid 33   and name HD2 ))
      3.500     1.500     1.500 peak   468 spectrum    1 weight  0.10000E+01 volume  0.18640E-02 ppm1      2.634 ppm2      3.248 CV     1
 OR {  468}
   (( segid "A   " and resid 33   and name HB3 ))
   (( segid "A   " and resid 33   and name HD2 ))
 ASSI {  473}
   (( segid "A   " and resid 33   and name HB2 ))
   (( segid "A   " and resid 33   and name HG2 ))
      2.200     0.600     0.600 peak   473 spectrum    1 weight  0.10000E+01 volume  0.14408E-01 ppm1      2.633 ppm2      2.201 CV     1
 OR {  473}
   (( segid "A   " and resid 33   and name HB3 ))
   (( segid "A   " and resid 33   and name HG3 ))
 OR {  473}
   (( segid "A   " and resid 33   and name HB2 ))
   (( segid "A   " and resid 33   and name HG3 ))
 OR {  473}
   (( segid "A   " and resid 33   and name HB3 ))
   (( segid "A   " and resid 33   and name HG2 ))
 ASSI {  484}
   (( segid "A   " and resid 33   and name HG3 ))
   (( segid "A   " and resid 33   and name HD3 ))
      2.000     0.500     0.500 peak   484 spectrum    1 weight  0.10000E+01 volume  0.18993E-01 ppm1      2.281 ppm2      3.971 CV     1
 OR {  484}
   (( segid "A   " and resid 33   and name HG2 ))
   (( segid "A   " and resid 33   and name HD3 ))
 ASSI {  516}
   (( segid "A   " and resid 34   and name HD3 ))
   (( segid "A   " and resid 34   and name HG3 ))
      2.300     0.700     0.700 peak   516 spectrum    1 weight  0.10000E+01 volume  0.13710E-01 ppm1      3.700 ppm2      2.234 CV     1
 OR {  516}
   (( segid "A   " and resid 34   and name HD3 ))
   (( segid "A   " and resid 34   and name HG2 ))
 ASSI {  517}
   (( segid "A   " and resid 34   and name HD3 ))
   (( segid "A   " and resid 34   and name HB3 ))
      2.400     0.700     0.700 peak   517 spectrum    1 weight  0.10000E+01 volume  0.18431E-01 ppm1      3.695 ppm2      1.957 CV     1
 OR {  517}
   (( segid "A   " and resid 34   and name HD3 ))
   (( segid "A   " and resid 34   and name HB2 ))
 ASSI {  518}
   (( segid "A   " and resid 34   and name HD2 ))
   (( segid "A   " and resid 34   and name HG2 ))
      2.100     0.500     0.500 peak   518 spectrum    1 weight  0.10000E+01 volume  0.22495E-01 ppm1      3.936 ppm2      2.236 CV     1
 OR {  518}
   (( segid "A   " and resid 34   and name HD2 ))
   (( segid "A   " and resid 34   and name HG3 ))
 ASSI {  534}
   (  segid "A   " and resid 36   and name HG1%)
   (( segid "A   " and resid 36   and name HN  ))
      2.500     0.800     0.800 peak   534 spectrum    1 weight  0.10000E+01 volume  0.99642E-02 ppm1      0.990 ppm2      7.430 CV     1
 ASSI {  535}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HB2 ))
      2.500     0.800     0.800 peak   535 spectrum    1 weight  0.10000E+01 volume  0.72292E-02 ppm1      4.635 ppm2      2.200 CV     1
 OR {  535}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HB3 ))
 ASSI {  537}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HG3 ))
      3.200     1.300     1.300 peak   537 spectrum    1 weight  0.10000E+01 volume  0.21225E-02 ppm1      4.637 ppm2      2.512 CV     1
 OR {  537}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HG2 ))
 ASSI {  538}
   (( segid "A   " and resid 37   and name HA  ))
   (  segid "A   " and resid 37   and name HE% )
      2.900     1.000     1.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.27438E-02 ppm1      4.632 ppm2      1.281 CV     1
 ASSI {  543}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 37   and name HN  ))
      2.800     1.000     1.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.31475E-02 ppm1      4.633 ppm2      8.643 CV     1
 ASSI {  547}
   (( segid "A   " and resid 38   and name HB  ))
   (( segid "A   " and resid 38   and name HN  ))
      4.700     2.700     1.300 peak   547 spectrum    1 weight  0.10000E+01 volume  0.44445E-03 ppm1      4.765 ppm2      7.320 CV     1
 ASSI {  548}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 38   and name HN  ))
      3.600     1.700     1.700 peak   548 spectrum    1 weight  0.10000E+01 volume  0.83449E-03 ppm1      4.756 ppm2      7.319 CV     1
 ASSI {  554}
   (  segid "A   " and resid 38   and name HG2%)
   (( segid "A   " and resid 38   and name HN  ))
      2.600     0.800     0.800 peak   554 spectrum    1 weight  0.10000E+01 volume  0.76010E-02 ppm1      1.372 ppm2      7.323 CV     1
 ASSI {  555}
   (  segid "A   " and resid 38   and name HG2%)
   (( segid "A   " and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   555 spectrum    1 weight  0.10000E+01 volume  0.22295E-01 ppm1      1.372 ppm2      4.747 CV     1
 ASSI {  563}
   (( segid "A   " and resid 39   and name HG3 ))
   (( segid "A   " and resid 39   and name HA  ))
      2.300     0.700     0.700 peak   563 spectrum    1 weight  0.10000E+01 volume  0.25080E-01 ppm1      2.054 ppm2      4.297 CV     1
 OR {  563}
   (( segid "A   " and resid 39   and name HG2 ))
   (( segid "A   " and resid 39   and name HA  ))
 ASSI {  566}
   (( segid "A   " and resid 39   and name HB3 ))
   (( segid "A   " and resid 39   and name HA  ))
      2.300     0.700     0.700 peak   566 spectrum    1 weight  0.10000E+01 volume  0.13324E-01 ppm1      2.418 ppm2      4.294 CV     1
 OR {  566}
   (( segid "A   " and resid 39   and name HB2 ))
   (( segid "A   " and resid 39   and name HA  ))
 ASSI {  574}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 39   and name HD3 ))
      3.500     1.500     1.500 peak   574 spectrum    1 weight  0.10000E+01 volume  0.19411E-02 ppm1      4.287 ppm2      3.933 CV     1
 OR {  574}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 39   and name HD2 ))
 ASSI {  581}
   (  segid "A   " and resid 23   and name HG2%)
   (( segid "A   " and resid 23   and name HA  ))
      2.500     0.800     0.800 peak   581 spectrum    1 weight  0.10000E+01 volume  0.95653E-02 ppm1      0.858 ppm2      4.721 CV     1
 ASSI {  582}
   (( segid "A   " and resid 43   and name HB2 ))
   (( segid "A   " and resid 43   and name HN  ))
      2.200     0.600     0.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.17121E-01 ppm1      4.023 ppm2      8.251 CV     1
 OR {  582}
   (( segid "A   " and resid 43   and name HB3 ))
   (( segid "A   " and resid 43   and name HN  ))
 ASSI {  592}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 43   and name HN  ))
      2.300     0.700     0.700 peak   592 spectrum    1 weight  0.10000E+01 volume  0.15755E-01 ppm1      4.284 ppm2      8.253 CV     1
 ASSI {  599}
   (  segid "A   " and resid 48   and name HB% )
   (( segid "A   " and resid 48   and name HN  ))
      2.300     0.700     0.700 peak   599 spectrum    1 weight  0.10000E+01 volume  0.16005E-01 ppm1      1.393 ppm2      7.306 CV     1
 ASSI {  602}
   (( segid "A   " and resid 49   and name HD3 ))
   (( segid "A   " and resid 49   and name HN  ))
      4.000     2.000     2.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.25126E-02 ppm1      3.309 ppm2      7.205 CV     1
 OR {  602}
   (( segid "A   " and resid 49   and name HD2 ))
   (( segid "A   " and resid 49   and name HN  ))
 ASSI {  604}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 52   and name HB3 ))
      2.600     0.900     0.900 peak   604 spectrum    1 weight  0.10000E+01 volume  0.56509E-02 ppm1      4.043 ppm2      1.209 CV     1
 OR {  604}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 52   and name HB2 ))
 ASSI {  610}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 52   and name HN  ))
      2.300     0.700     0.700 peak   610 spectrum    1 weight  0.10000E+01 volume  0.11230E-01 ppm1      4.032 ppm2      8.661 CV     1
 ASSI {  614}
   (  segid "A   " and resid 52   and name HD1%)
   (( segid "A   " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak   614 spectrum    1 weight  0.10000E+01 volume  0.53380E-02 ppm1      0.856 ppm2      8.652 CV     1
 ASSI {  615}
   (  segid "A   " and resid 10   and name HD1%)
   (( segid "A   " and resid 10   and name HN  ))
      3.800     1.800     1.800 peak   615 spectrum    1 weight  0.10000E+01 volume  0.37870E-02 ppm1      0.852 ppm2      7.944 CV     1
 ASSI {  619}
   (  segid "A   " and resid 52   and name HD2%)
   (( segid "A   " and resid 52   and name HN  ))
      3.300     1.400     1.400 peak   619 spectrum    1 weight  0.10000E+01 volume  0.61906E-02 ppm1      0.864 ppm2      8.645 CV     1
 ASSI {  620}
   (  segid "A   " and resid 52   and name HD2%)
   (( segid "A   " and resid 52   and name HA  ))
      2.700     0.900     0.900 peak   620 spectrum    1 weight  0.10000E+01 volume  0.43901E-02 ppm1      0.864 ppm2      4.051 CV     1
 ASSI {  629}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 53   and name HN  ))
      2.600     0.900     0.900 peak   629 spectrum    1 weight  0.10000E+01 volume  0.63403E-02 ppm1      3.501 ppm2      8.551 CV     1
 ASSI {  632}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak   632 spectrum    1 weight  0.10000E+01 volume  0.69798E-02 ppm1      4.187 ppm2      7.936 CV     1
 ASSI {  636}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 10   and name HB2 ))
      1.900     0.400     0.400 peak   636 spectrum    1 weight  0.10000E+01 volume  0.41148E-01 ppm1      4.183 ppm2      1.749 CV     1
 OR {  636}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 10   and name HB3 ))
 ASSI {  639}
   (  segid "A   " and resid 9    and name HB% )
   (( segid "A   " and resid 9    and name HA  ))
      1.600     0.300     0.600 peak   639 spectrum    1 weight  0.10000E+01 volume  0.16219E+00 ppm1      1.495 ppm2      4.198 CV     1
 ASSI {  640}
   (  segid "A   " and resid 54   and name HB% )
   (( segid "A   " and resid 54   and name HN  ))
      2.200     0.600     0.600 peak   640 spectrum    1 weight  0.10000E+01 volume  0.21434E-01 ppm1      1.502 ppm2      7.354 CV     1
 ASSI {  641}
   (  segid "A   " and resid 9    and name HB% )
   (( segid "A   " and resid 9    and name HN  ))
      2.200     0.600     0.600 peak   641 spectrum    1 weight  0.10000E+01 volume  0.23252E-01 ppm1      1.495 ppm2      7.763 CV     1
 ASSI {  643}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 57   and name HN  ))
      2.400     0.700     0.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.11143E-01 ppm1      4.101 ppm2      8.328 CV     1
 ASSI {  647}
   (( segid "A   " and resid 37   and name HB2 ))
   (( segid "A   " and resid 37   and name HN  ))
      2.300     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.94331E-02 ppm1      2.178 ppm2      8.646 CV     1
 OR {  647}
   (( segid "A   " and resid 37   and name HB3 ))
   (( segid "A   " and resid 37   and name HN  ))
 ASSI {  648}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 64   and name HE22))
      3.600     1.600     1.600 peak   648 spectrum    1 weight  0.10000E+01 volume  0.37597E-02 ppm1      1.989 ppm2      7.497 CV     1
 OR {  648}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "A   " and resid 64   and name HE22))
 ASSI {  649}
   (( segid "A   " and resid 60   and name HB3 ))
   (( segid "A   " and resid 60   and name HA  ))
      2.700     0.900     0.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.50115E-02 ppm1      1.990 ppm2      4.701 CV     1
 OR {  649}
   (( segid "A   " and resid 60   and name HB2 ))
   (( segid "A   " and resid 60   and name HA  ))
 ASSI {  651}
   (( segid "A   " and resid 64   and name HG3 ))
   (( segid "A   " and resid 64   and name HE22))
      4.700     2.700     1.300 peak   651 spectrum    1 weight  0.10000E+01 volume  0.75739E-03 ppm1      2.372 ppm2      7.499 CV     1
 OR {  651}
   (( segid "A   " and resid 64   and name HG2 ))
   (( segid "A   " and resid 64   and name HE22))
 ASSI {  652}
   (( segid "A   " and resid 64   and name HG3 ))
   (( segid "A   " and resid 64   and name HE21))
      3.800     1.800     1.800 peak   652 spectrum    1 weight  0.10000E+01 volume  0.62133E-03 ppm1      2.371 ppm2      6.841 CV     1
 OR {  652}
   (( segid "A   " and resid 64   and name HG2 ))
   (( segid "A   " and resid 64   and name HE21))
 ASSI {  653}
   (( segid "A   " and resid 60   and name HB3 ))
   (( segid "A   " and resid 60   and name HE22))
      4.800     2.800     1.200 peak   653 spectrum    1 weight  0.10000E+01 volume  0.64854E-03 ppm1      1.990 ppm2      6.948 CV     1
 OR {  653}
   (( segid "A   " and resid 60   and name HB2 ))
   (( segid "A   " and resid 60   and name HE22))
 ASSI {  656}
   (( segid "A   " and resid 51   and name HB3 ))
   (( segid "A   " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak   656 spectrum    1 weight  0.10000E+01 volume  0.35647E-02 ppm1      2.023 ppm2      8.244 CV     1
 OR {  656}
   (( segid "A   " and resid 51   and name HB2 ))
   (( segid "A   " and resid 51   and name HN  ))
 ASSI {  657}
   (( segid "A   " and resid 64   and name HA  ))
   (( segid "A   " and resid 64   and name HG3 ))
      3.000     1.100     1.100 peak   657 spectrum    1 weight  0.10000E+01 volume  0.56418E-02 ppm1      4.401 ppm2      2.376 CV     1
 OR {  657}
   (( segid "A   " and resid 64   and name HA  ))
   (( segid "A   " and resid 64   and name HG2 ))
 ASSI {  658}
   (( segid "A   " and resid 64   and name HA  ))
   (( segid "A   " and resid 64   and name HB3 ))
      2.600     0.900     0.900 peak   658 spectrum    1 weight  0.10000E+01 volume  0.69480E-02 ppm1      4.402 ppm2      2.187 CV     1
 OR {  658}
   (( segid "A   " and resid 64   and name HA  ))
   (( segid "A   " and resid 64   and name HB2 ))
 ASSI {  662}
   (( segid "A   " and resid 67   and name HA  ))
   (( segid "A   " and resid 67   and name HB2 ))
      2.700     0.900     0.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.68754E-02 ppm1      4.531 ppm2      3.759 CV     1
 OR {  662}
   (( segid "A   " and resid 67   and name HA  ))
   (( segid "A   " and resid 67   and name HB3 ))
 ASSI {  672}
   (  segid "A   " and resid 70   and name HB% )
   (( segid "A   " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak   672 spectrum    1 weight  0.10000E+01 volume  0.75829E-02 ppm1      1.367 ppm2      8.161 CV     1
 ASSI {  673}
   (  segid "A   " and resid 70   and name HB% )
   (( segid "A   " and resid 70   and name HA  ))
      2.300     0.700     0.700 peak   673 spectrum    1 weight  0.10000E+01 volume  0.12586E-01 ppm1      1.366 ppm2      4.605 CV     1
 ASSI {  677}
   (( segid "A   " and resid 41   and name HB2 ))
   (  segid "A   " and resid 41   and name HD1%)
      2.200     0.600     0.600 peak   677 spectrum    1 weight  0.10000E+01 volume  0.15810E-01 ppm1      1.625 ppm2      0.945 CV     1
 OR {  677}
   (( segid "A   " and resid 41   and name HB3 ))
   (  segid "A   " and resid 41   and name HD2%)
 OR {  677}
   (( segid "A   " and resid 41   and name HB3 ))
   (  segid "A   " and resid 41   and name HD1%)
 ASSI {  687}
   (( segid "A   " and resid 41   and name HB3 ))
   (( segid "A   " and resid 41   and name HN  ))
      2.600     0.900     0.900 peak   687 spectrum    1 weight  0.10000E+01 volume  0.47575E-02 ppm1      1.980 ppm2      7.842 CV     1
 OR {  687}
   (( segid "A   " and resid 41   and name HB2 ))
   (( segid "A   " and resid 41   and name HN  ))
 ASSI {  691}
   (( segid "A   " and resid 41   and name HB2 ))
   (( segid "A   " and resid 41   and name HG  ))
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.85311E-02 ppm1      1.979 ppm2      1.469 CV     1
 OR {  691}
   (( segid "A   " and resid 41   and name HB3 ))
   (( segid "A   " and resid 41   and name HG  ))
 ASSI {  696}
   (( segid "A   " and resid 52   and name HB2 ))
   (( segid "A   " and resid 52   and name HG  ))
      2.400     0.700     0.700 peak   696 spectrum    1 weight  0.10000E+01 volume  0.10254E-01 ppm1      1.205 ppm2      1.818 CV     1
 OR {  696}
   (( segid "A   " and resid 52   and name HB3 ))
   (( segid "A   " and resid 52   and name HG  ))
 ASSI {  697}
   (( segid "A   " and resid 52   and name HB3 ))
   (  segid "A   " and resid 52   and name HD1%)
      2.200     0.600     0.600 peak   697 spectrum    1 weight  0.10000E+01 volume  0.21202E-01 ppm1      1.205 ppm2      0.851 CV     1
 OR {  697}
   (( segid "A   " and resid 52   and name HB2 ))
   (  segid "A   " and resid 52   and name HD1%)
 ASSI {  709}
   (( segid "A   " and resid 52   and name HB2 ))
   (( segid "A   " and resid 52   and name HN  ))
      2.400     0.700     0.700 peak   709 spectrum    1 weight  0.10000E+01 volume  0.79458E-02 ppm1      1.994 ppm2      8.638 CV     1
 OR {  709}
   (( segid "A   " and resid 52   and name HB3 ))
   (( segid "A   " and resid 52   and name HN  ))
 ASSI {  717}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 37   and name HN  ))
      3.700     1.700     1.700 peak   717 spectrum    1 weight  0.10000E+01 volume  0.19274E-02 ppm1      1.263 ppm2      8.640 CV     1
 ASSI {  727}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 37   and name HB2 ))
      2.600     0.900     0.900 peak   727 spectrum    1 weight  0.10000E+01 volume  0.79094E-02 ppm1      1.262 ppm2      1.635 CV     1
 OR {  727}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 37   and name HB3 ))
 ASSI {  730}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 37   and name HG3 ))
      2.600     0.800     0.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.98820E-02 ppm1      1.262 ppm2      2.218 CV     1
 OR {  730}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 37   and name HG2 ))
 ASSI {  741}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 42   and name HG3 ))
      2.400     0.700     0.700 peak   741 spectrum    1 weight  0.10000E+01 volume  0.15034E-01 ppm1      3.633 ppm2      2.230 CV     1
 OR {  741}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 42   and name HG2 ))
 ASSI {  742}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 42   and name HB2 ))
      2.200     0.600     0.600 peak   742 spectrum    1 weight  0.10000E+01 volume  0.18649E-01 ppm1      3.633 ppm2      2.079 CV     1
 OR {  742}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 42   and name HB3 ))
 ASSI {  750}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 42   and name HE22))
      3.900     1.900     1.900 peak   750 spectrum    1 weight  0.10000E+01 volume  0.10658E-02 ppm1      3.632 ppm2      7.264 CV     1
 ASSI {  751}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak   751 spectrum    1 weight  0.10000E+01 volume  0.52791E-02 ppm1      3.633 ppm2      8.626 CV     1
 ASSI {  755}
   (( segid "A   " and resid 42   and name HB2 ))
   (( segid "A   " and resid 42   and name HE22))
      3.900     1.900     1.900 peak   755 spectrum    1 weight  0.10000E+01 volume  0.20137E-02 ppm1      2.072 ppm2      7.273 CV     1
 OR {  755}
   (( segid "A   " and resid 42   and name HB3 ))
   (( segid "A   " and resid 42   and name HE22))
 ASSI {  756}
   (( segid "A   " and resid 42   and name HB2 ))
   (( segid "A   " and resid 42   and name HE21))
      4.200     2.200     1.800 peak   756 spectrum    1 weight  0.10000E+01 volume  0.64401E-03 ppm1      2.071 ppm2      6.791 CV     1
 OR {  756}
   (( segid "A   " and resid 42   and name HB3 ))
   (( segid "A   " and resid 42   and name HE21))
 ASSI {  759}
   (( segid "A   " and resid 42   and name HB2 ))
   (( segid "A   " and resid 42   and name HN  ))
      2.300     0.700     0.700 peak   759 spectrum    1 weight  0.10000E+01 volume  0.12073E-01 ppm1      2.072 ppm2      8.626 CV     1
 OR {  759}
   (( segid "A   " and resid 42   and name HB3 ))
   (( segid "A   " and resid 42   and name HN  ))
 ASSI {  775}
   (( segid "A   " and resid 42   and name HG3 ))
   (( segid "A   " and resid 42   and name HE21))
      3.200     1.300     1.300 peak   775 spectrum    1 weight  0.10000E+01 volume  0.15647E-02 ppm1      2.272 ppm2      6.801 CV     1
 OR {  775}
   (( segid "A   " and resid 42   and name HG2 ))
   (( segid "A   " and resid 42   and name HE21))
 ASSI {  777}
   (( segid "A   " and resid 42   and name HG3 ))
   (( segid "A   " and resid 42   and name HE22))
      3.600     1.600     1.600 peak   777 spectrum    1 weight  0.10000E+01 volume  0.37189E-02 ppm1      2.272 ppm2      7.265 CV     1
 OR {  777}
   (( segid "A   " and resid 42   and name HG2 ))
   (( segid "A   " and resid 42   and name HE22))
 ASSI {  779}
   (( segid "A   " and resid 42   and name HG2 ))
   (( segid "A   " and resid 42   and name HN  ))
      4.100     2.100     1.900 peak   779 spectrum    1 weight  0.10000E+01 volume  0.28164E-02 ppm1      2.273 ppm2      8.625 CV     1
 OR {  779}
   (( segid "A   " and resid 42   and name HG3 ))
   (( segid "A   " and resid 42   and name HN  ))
 ASSI {  792}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   792 spectrum    1 weight  0.10000E+01 volume  0.63856E-02 ppm1      3.747 ppm2      8.823 CV     1
 ASSI {  803}
   (  segid "A   " and resid 14   and name HB% )
   (( segid "A   " and resid 14   and name HN  ))
      2.300     0.600     0.600 peak   803 spectrum    1 weight  0.10000E+01 volume  0.15416E-01 ppm1      1.407 ppm2      8.824 CV     1
 ASSI {  805}
   (  segid "A   " and resid 14   and name HB% )
   (( segid "A   " and resid 14   and name HA  ))
      2.200     0.600     0.600 peak   805 spectrum    1 weight  0.10000E+01 volume  0.20205E-01 ppm1      1.408 ppm2      3.750 CV     1
 ASSI {  814}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 58   and name HE21))
      4.300     2.300     1.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.13107E-02 ppm1      4.318 ppm2      7.173 CV     1
 ASSI {  833}
   (( segid "A   " and resid 22   and name HH2 ))
   (( segid "A   " and resid 22   and name HB2 ))
      4.500     2.500     1.500 peak   833 spectrum    1 weight  0.10000E+01 volume  0.26305E-03 ppm1      6.905 ppm2      3.249 CV     1
 OR {  833}
   (( segid "A   " and resid 22   and name HH2 ))
   (( segid "A   " and resid 22   and name HB3 ))
 ASSI {  847}
   (( segid "A   " and resid 17   and name HG  ))
   (( segid "A   " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak   847 spectrum    1 weight  0.10000E+01 volume  0.55602E-02 ppm1      1.534 ppm2      7.319 CV     1
 ASSI {  848}
   (( segid "A   " and resid 8    and name HA2 ))
   (( segid "A   " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   848 spectrum    1 weight  0.10000E+01 volume  0.39411E-02 ppm1      3.788 ppm2      8.453 CV     1
 ASSI {  849}
   (( segid "A   " and resid 8    and name HA1 ))
   (( segid "A   " and resid 8    and name HN  ))
      3.200     1.300     1.300 peak   849 spectrum    1 weight  0.10000E+01 volume  0.39502E-02 ppm1      3.554 ppm2      8.451 CV     1
 ASSI {  852}
   (( segid "A   " and resid 8    and name HA1 ))
   (( segid "A   " and resid 8    and name HA2 ))
      2.000     0.500     0.500 peak   852 spectrum    1 weight  0.10000E+01 volume  0.14254E-01 ppm1      3.557 ppm2      3.792 CV     1
 ASSI {  857}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 54   and name HN  ))
      2.500     0.800     0.800 peak   857 spectrum    1 weight  0.10000E+01 volume  0.79593E-02 ppm1      4.056 ppm2      7.354 CV     1
 ASSI {  859}
   (( segid "A   " and resid 55   and name HA  ))
   (( segid "A   " and resid 55   and name HN  ))
      2.400     0.700     0.700 peak   859 spectrum    1 weight  0.10000E+01 volume  0.90935E-02 ppm1      4.151 ppm2      7.700 CV     1
 ASSI {  866}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.84265E-02 ppm1      4.090 ppm2      7.919 CV     1
 ASSI {  870}
   (( segid "A   " and resid 12   and name HA  ))
   (  segid "A   " and resid 12   and name HB% )
      1.600     0.300     0.600 peak   870 spectrum    1 weight  0.10000E+01 volume  0.16829E+00 ppm1      4.089 ppm2      1.528 CV     1
 ASSI {  871}
   (  segid "A   " and resid 12   and name HB% )
   (( segid "A   " and resid 12   and name HN  ))
      2.200     0.600     0.600 peak   871 spectrum    1 weight  0.10000E+01 volume  0.20064E-01 ppm1      1.535 ppm2      7.913 CV     1
 ASSI {  874}
   (( segid "A   " and resid 28   and name HA  ))
   (( segid "A   " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak   874 spectrum    1 weight  0.10000E+01 volume  0.33652E-02 ppm1      4.489 ppm2      8.421 CV     1
 ASSI {  876}
   (( segid "A   " and resid 28   and name HA  ))
   (( segid "A   " and resid 28   and name HB2 ))
      2.500     0.800     0.800 peak   876 spectrum    1 weight  0.10000E+01 volume  0.57688E-02 ppm1      4.486 ppm2      1.713 CV     1
 OR {  876}
   (( segid "A   " and resid 28   and name HA  ))
   (( segid "A   " and resid 28   and name HB3 ))
 ASSI {  878}
   (( segid "A   " and resid 28   and name HA  ))
   (  segid "A   " and resid 28   and name HD2%)
      2.300     0.700     0.700 peak   878 spectrum    1 weight  0.10000E+01 volume  0.18794E-01 ppm1      4.485 ppm2      0.818 CV     1
 OR {  878}
   (( segid "A   " and resid 28   and name HA  ))
   (  segid "A   " and resid 28   and name HD1%)
 ASSI {  880}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 13   and name HN  ))
      2.600     0.900     0.900 peak   880 spectrum    1 weight  0.10000E+01 volume  0.71022E-02 ppm1      4.426 ppm2      8.358 CV     1
 ASSI {  882}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 13   and name HD2 ))
      4.400     2.500     1.600 peak   882 spectrum    1 weight  0.10000E+01 volume  0.94789E-03 ppm1      4.425 ppm2      7.898 CV     1
 ASSI {  892}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 41   and name HN  ))
      2.800     1.000     1.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.43674E-02 ppm1      4.102 ppm2      7.837 CV     1
 ASSI {  897}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak   897 spectrum    1 weight  0.10000E+01 volume  0.24899E-02 ppm1      4.059 ppm2      8.468 CV     1
 ASSI {  903}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.75648E-02 ppm1      4.150 ppm2      8.245 CV     1
 ASSI {  908}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak   908 spectrum    1 weight  0.10000E+01 volume  0.70614E-02 ppm1      3.879 ppm2      7.206 CV     1
 ASSI {  917}
   (( segid "A   " and resid 13   and name HB3 ))
   (( segid "A   " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   917 spectrum    1 weight  0.10000E+01 volume  0.91384E-02 ppm1      3.330 ppm2      8.358 CV     1
 OR {  917}
   (( segid "A   " and resid 13   and name HB2 ))
   (( segid "A   " and resid 13   and name HN  ))
 ASSI {  932}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 13   and name HB2 ))
      2.300     0.600     0.600 peak   932 spectrum    1 weight  0.10000E+01 volume  0.15647E-01 ppm1      4.426 ppm2      3.295 CV     1
 OR {  932}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 13   and name HB3 ))
 ASSI {  941}
   (( segid "A   " and resid 16   and name HB2 ))
   (( segid "A   " and resid 16   and name HN  ))
      2.300     0.600     0.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.15316E-01 ppm1      4.115 ppm2      8.159 CV     1
 OR {  941}
   (( segid "A   " and resid 16   and name HB3 ))
   (( segid "A   " and resid 16   and name HN  ))
 ASSI {  953}
   (( segid "A   " and resid 17   and name HB3 ))
   (( segid "A   " and resid 17   and name HA  ))
      2.600     0.800     0.800 peak   953 spectrum    1 weight  0.10000E+01 volume  0.64582E-02 ppm1      1.763 ppm2      4.357 CV     1
 OR {  953}
   (( segid "A   " and resid 17   and name HB2 ))
   (( segid "A   " and resid 17   and name HA  ))
 ASSI {  954}
   (( segid "A   " and resid 17   and name HB2 ))
   (( segid "A   " and resid 17   and name HN  ))
      2.600     0.900     0.900 peak   954 spectrum    1 weight  0.10000E+01 volume  0.53062E-02 ppm1      1.763 ppm2      7.319 CV     1
 OR {  954}
   (( segid "A   " and resid 17   and name HB3 ))
   (( segid "A   " and resid 17   and name HN  ))
 ASSI {  961}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 40   and name HG3 ))
      2.600     0.800     0.800 peak   961 spectrum    1 weight  0.10000E+01 volume  0.10644E-01 ppm1      4.060 ppm2      2.297 CV     1
 OR {  961}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 40   and name HG2 ))
 ASSI {  963}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 40   and name HB2 ))
      2.200     0.600     0.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.19302E-01 ppm1      4.062 ppm2      1.929 CV     1
 OR {  963}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 40   and name HB3 ))
 ASSI {  966}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 41   and name HB2 ))
      2.200     0.600     0.600 peak   966 spectrum    1 weight  0.10000E+01 volume  0.14418E-01 ppm1      4.103 ppm2      1.631 CV     1
 OR {  966}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 41   and name HB3 ))
 ASSI {  967}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 41   and name HG  ))
      2.000     0.500     0.500 peak   967 spectrum    1 weight  0.10000E+01 volume  0.20626E-01 ppm1      4.098 ppm2      1.504 CV     1
 ASSI {  970}
   (( segid "A   " and resid 44   and name HB3 ))
   (( segid "A   " and resid 44   and name HA  ))
      2.000     0.500     0.500 peak   970 spectrum    1 weight  0.10000E+01 volume  0.36826E-01 ppm1      1.967 ppm2      4.102 CV     1
 OR {  970}
   (( segid "A   " and resid 44   and name HB2 ))
   (( segid "A   " and resid 44   and name HA  ))
 ASSI {  972}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 49   and name HD2 ))
      4.500     2.500     1.500 peak   972 spectrum    1 weight  0.10000E+01 volume  0.14876E-02 ppm1      3.877 ppm2      3.303 CV     1
 OR {  972}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 49   and name HD3 ))
 ASSI {  973}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 49   and name HB3 ))
      2.100     0.600     0.600 peak   973 spectrum    1 weight  0.10000E+01 volume  0.21533E-01 ppm1      3.879 ppm2      1.974 CV     1
 OR {  973}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 49   and name HB2 ))
 ASSI {  975}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 49   and name HG2 ))
      3.000     1.200     1.200 peak   975 spectrum    1 weight  0.10000E+01 volume  0.68437E-02 ppm1      3.879 ppm2      1.333 CV     1
 OR {  975}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 49   and name HG3 ))
 ASSI {  982}
   (( segid "A   " and resid 53   and name HB  ))
   (( segid "A   " and resid 53   and name HA  ))
      2.900     1.100     1.100 peak   982 spectrum    1 weight  0.10000E+01 volume  0.42314E-02 ppm1      1.868 ppm2      3.503 CV     1
 ASSI {  984}
   (( segid "A   " and resid 53   and name HB  ))
   (  segid "A   " and resid 53   and name HD1%)
      2.000     0.500     0.500 peak   984 spectrum    1 weight  0.10000E+01 volume  0.28803E-01 ppm1      1.875 ppm2      0.801 CV     1
 ASSI {  989}
   (( segid "A   " and resid 53   and name HB  ))
   (( segid "A   " and resid 53   and name HN  ))
      2.300     0.600     0.600 peak   989 spectrum    1 weight  0.10000E+01 volume  0.10608E-01 ppm1      1.868 ppm2      8.540 CV     1
 ASSI {  992}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 51   and name HG3 ))
      2.500     0.800     0.800 peak   992 spectrum    1 weight  0.10000E+01 volume  0.14635E-01 ppm1      4.153 ppm2      2.363 CV     1
 OR {  992}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 51   and name HG2 ))
 ASSI {  993}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 51   and name HB2 ))
      2.200     0.600     0.600 peak   993 spectrum    1 weight  0.10000E+01 volume  0.19846E-01 ppm1      4.153 ppm2      2.192 CV     1
 OR {  993}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 51   and name HB3 ))
 ASSI {  996}
   (( segid "A   " and resid 10   and name HB3 ))
   (( segid "A   " and resid 10   and name HN  ))
      2.200     0.600     0.600 peak   996 spectrum    1 weight  0.10000E+01 volume  0.15034E-01 ppm1      1.747 ppm2      7.938 CV     1
 OR {  996}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 10   and name HN  ))
 ASSI { 1006}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 58   and name HN  ))
      2.500     0.800     0.800 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.84220E-02 ppm1      2.369 ppm2      7.649 CV     1
 OR { 1006}
   (( segid "A   " and resid 58   and name HB2 ))
   (( segid "A   " and resid 58   and name HN  ))
 ASSI { 1008}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 58   and name HE21))
      4.200     2.200     1.800 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.88893E-03 ppm1      2.373 ppm2      7.178 CV     1
 OR { 1008}
   (( segid "A   " and resid 58   and name HB2 ))
   (( segid "A   " and resid 58   and name HE21))
 ASSI { 1009}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 58   and name HE22))
      4.700     2.800     1.300 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.60319E-03 ppm1      2.549 ppm2      6.752 CV     1
 OR { 1009}
   (( segid "A   " and resid 58   and name HB2 ))
   (( segid "A   " and resid 58   and name HE22))
 ASSI { 1020}
   (( segid "A   " and resid 75   and name HB3 ))
   (( segid "A   " and resid 75   and name HA  ))
      2.700     0.900     0.900 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.63312E-02 ppm1      2.796 ppm2      4.521 CV     1
 OR { 1020}
   (( segid "A   " and resid 75   and name HB2 ))
   (( segid "A   " and resid 75   and name HA  ))
 ASSI { 1022}
   (( segid "A   " and resid 75   and name HB2 ))
   (( segid "A   " and resid 75   and name HN  ))
      3.300     1.300     1.300 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.25987E-02 ppm1      2.799 ppm2      8.069 CV     1
 OR { 1022}
   (( segid "A   " and resid 75   and name HB3 ))
   (( segid "A   " and resid 75   and name HN  ))
 ASSI { 1023}
   (( segid "A   " and resid 70   and name HA  ))
   (( segid "A   " and resid 70   and name HN  ))
      3.100     1.200     1.200 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.25261E-02 ppm1      4.605 ppm2      8.155 CV     1
 ASSI { 1034}
   (( segid "A   " and resid 41   and name HG  ))
   (( segid "A   " and resid 41   and name HN  ))
      4.000     2.000     2.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.18685E-02 ppm1      1.483 ppm2      7.842 CV     1
 ASSI { 1037}
   (( segid "A   " and resid 17   and name HG  ))
   (( segid "A   " and resid 17   and name HA  ))
      2.900     1.100     1.100 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.48663E-02 ppm1      1.534 ppm2      4.353 CV     1
 ASSI { 1047}
   (( segid "A   " and resid 19   and name HB  ))
   (( segid "A   " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.89258E-02 ppm1      1.900 ppm2      7.841 CV     1
 ASSI { 1051}
   (( segid "A   " and resid 19   and name HB  ))
   (( segid "A   " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.56600E-02 ppm1      1.901 ppm2      4.264 CV     1
 ASSI { 1055}
   (( segid "A   " and resid 19   and name HB  ))
   (  segid "A   " and resid 19   and name HG1%)
      1.800     0.400     0.400 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.40931E-01 ppm1      1.900 ppm2      0.866 CV     1
 ASSI { 1067}
   (  segid "A   " and resid 23   and name HG2%)
   (( segid "A   " and resid 23   and name HB  ))
      1.800     0.400     0.400 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.53652E-01 ppm1      0.859 ppm2      1.926 CV     1
 ASSI { 1073}
   (( segid "A   " and resid 20   and name HA  ))
   (( segid "A   " and resid 20   and name HN  ))
      3.600     1.600     1.600 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.87081E-03 ppm1      5.073 ppm2      8.877 CV     1
 ASSI { 1094}
   (( segid "A   " and resid 21   and name HG  ))
   (( segid "A   " and resid 21   and name HN  ))
      2.700     2.700     3.300 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.93747E-02 ppm1      1.693 ppm2      8.035 CV     1
 ASSI { 1096}
   (( segid "A   " and resid 44   and name HG2 ))
   (( segid "A   " and resid 44   and name HA  ))
      2.300     0.700     0.700 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.19738E-01 ppm1      1.689 ppm2      4.114 CV     1
 OR { 1096}
   (( segid "A   " and resid 44   and name HG3 ))
   (( segid "A   " and resid 44   and name HA  ))
 ASSI { 1101}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 56   and name HA  ))
      2.300     0.700     0.700 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.11247E-01 ppm1      1.910 ppm2      4.026 CV     1
 OR { 1101}
   (( segid "A   " and resid 56   and name HB3 ))
   (( segid "A   " and resid 56   and name HA  ))
 ASSI { 1104}
   (  segid "A   " and resid 56   and name HD2%)
   (( segid "A   " and resid 56   and name HN  ))
      3.200     1.300     1.300 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.74469E-02 ppm1      0.707 ppm2      8.651 CV     1
 ASSI { 1112}
   (  segid "A   " and resid 56   and name HD2%)
   (( segid "A   " and resid 56   and name HA  ))
      3.700     1.700     1.700 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.44627E-02 ppm1      0.707 ppm2      4.032 CV     1
 ASSI { 1115}
   (  segid "A   " and resid 56   and name HD2%)
   (( segid "A   " and resid 56   and name HB3 ))
      2.300     0.600     0.600 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.15969E-01 ppm1      0.707 ppm2      1.538 CV     1
 OR { 1115}
   (  segid "A   " and resid 56   and name HD2%)
   (( segid "A   " and resid 56   and name HB2 ))
 ASSI { 1116}
   (  segid "A   " and resid 56   and name HD1%)
   (( segid "A   " and resid 56   and name HG  ))
      2.000     0.500     0.500 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.29198E-01 ppm1      1.001 ppm2      1.877 CV     1
 ASSI { 1117}
   (  segid "A   " and resid 56   and name HD1%)
   (( segid "A   " and resid 56   and name HB2 ))
      2.400     0.700     0.700 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.12454E-01 ppm1      1.002 ppm2      1.544 CV     1
 OR { 1117}
   (  segid "A   " and resid 56   and name HD1%)
   (( segid "A   " and resid 56   and name HB3 ))
 ASSI { 1119}
   (  segid "A   " and resid 56   and name HD1%)
   (( segid "A   " and resid 56   and name HA  ))
      2.400     0.700     0.700 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.19823E-01 ppm1      1.001 ppm2      4.024 CV     1
 ASSI { 1124}
   (  segid "A   " and resid 56   and name HD1%)
   (( segid "A   " and resid 56   and name HN  ))
      3.700     1.700     1.700 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.51793E-02 ppm1      1.001 ppm2      8.664 CV     1
 ASSI { 1129}
   (  segid "A   " and resid 41   and name HD1%)
   (( segid "A   " and resid 41   and name HA  ))
      2.600     0.900     0.900 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.19538E-01 ppm1      0.959 ppm2      4.104 CV     1
 ASSI { 1136}
   (( segid "A   " and resid 23   and name HB  ))
   (( segid "A   " and resid 23   and name HA  ))
      2.500     0.800     0.800 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.51883E-02 ppm1      1.931 ppm2      4.727 CV     1
 ASSI { 1140}
   (( segid "A   " and resid 23   and name HB  ))
   (( segid "A   " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.10381E-01 ppm1      1.931 ppm2      8.554 CV     1
 ASSI { 1142}
   (( segid "A   " and resid 23   and name HB  ))
   (  segid "A   " and resid 23   and name HG2%)
      2.000     0.500     0.500 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.32772E-01 ppm1      1.931 ppm2      0.898 CV     1
 OR { 1142}
   (( segid "A   " and resid 23   and name HB  ))
   (  segid "A   " and resid 23   and name HG1%)
 ASSI { 1145}
   (( segid "A   " and resid 24   and name HA  ))
   (( segid "A   " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.17914E-02 ppm1      4.666 ppm2      8.631 CV     1
 ASSI { 1147}
   (( segid "A   " and resid 24   and name HA  ))
   (( segid "A   " and resid 24   and name HG3 ))
      2.800     1.000     1.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.55285E-02 ppm1      4.666 ppm2      2.302 CV     1
 OR { 1147}
   (( segid "A   " and resid 24   and name HA  ))
   (( segid "A   " and resid 24   and name HG2 ))
 ASSI { 1152}
   (( segid "A   " and resid 24   and name HG2 ))
   (( segid "A   " and resid 24   and name HN  ))
      4.200     2.200     1.800 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.14468E-02 ppm1      2.263 ppm2      8.633 CV     1
 OR { 1152}
   (( segid "A   " and resid 24   and name HG3 ))
   (( segid "A   " and resid 24   and name HN  ))
 ASSI { 1157}
   (( segid "A   " and resid 24   and name HB3 ))
   (( segid "A   " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.76464E-02 ppm1      1.971 ppm2      8.641 CV     1
 OR { 1157}
   (( segid "A   " and resid 24   and name HB2 ))
   (( segid "A   " and resid 24   and name HN  ))
 ASSI { 1159}
   (( segid "A   " and resid 24   and name HB2 ))
   (( segid "A   " and resid 24   and name HA  ))
      2.500     0.800     0.800 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.80319E-02 ppm1      1.868 ppm2      4.679 CV     1
 OR { 1159}
   (( segid "A   " and resid 24   and name HB3 ))
   (( segid "A   " and resid 24   and name HA  ))
 ASSI { 1166}
   (( segid "A   " and resid 26   and name HB3 ))
   (( segid "A   " and resid 26   and name HN  ))
      3.300     1.400     1.400 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.16599E-02 ppm1      1.917 ppm2      8.805 CV     1
 OR { 1166}
   (( segid "A   " and resid 26   and name HB2 ))
   (( segid "A   " and resid 26   and name HN  ))
 ASSI { 1174}
   (( segid "A   " and resid 26   and name HG2 ))
   (( segid "A   " and resid 26   and name HN  ))
      3.800     1.800     1.800 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.11247E-02 ppm1      2.308 ppm2      8.808 CV     1
 OR { 1174}
   (( segid "A   " and resid 26   and name HG3 ))
   (( segid "A   " and resid 26   and name HN  ))
 ASSI { 1177}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.35828E-02 ppm1      4.571 ppm2      7.975 CV     1
 ASSI { 1178}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 27   and name HD3 ))
      2.900     1.000     1.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.36690E-02 ppm1      4.571 ppm2      3.193 CV     1
 OR { 1178}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 27   and name HD2 ))
 ASSI { 1184}
   (( segid "A   " and resid 27   and name HB2 ))
   (( segid "A   " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.51339E-02 ppm1      1.740 ppm2      4.571 CV     1
 OR { 1184}
   (( segid "A   " and resid 27   and name HB3 ))
   (( segid "A   " and resid 27   and name HA  ))
 ASSI { 1187}
   (( segid "A   " and resid 27   and name HB3 ))
   (( segid "A   " and resid 27   and name HN  ))
      2.900     1.000     1.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.33425E-02 ppm1      1.740 ppm2      7.979 CV     1
 OR { 1187}
   (( segid "A   " and resid 27   and name HB2 ))
   (( segid "A   " and resid 27   and name HN  ))
 ASSI { 1190}
   (( segid "A   " and resid 27   and name HB2 ))
   (( segid "A   " and resid 27   and name HD3 ))
      3.100     1.200     1.200 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.47212E-02 ppm1      1.866 ppm2      3.198 CV     1
 OR { 1190}
   (( segid "A   " and resid 27   and name HB2 ))
   (( segid "A   " and resid 27   and name HD2 ))
 OR { 1190}
   (( segid "A   " and resid 27   and name HB3 ))
   (( segid "A   " and resid 27   and name HD3 ))
 OR { 1190}
   (( segid "A   " and resid 27   and name HB3 ))
   (( segid "A   " and resid 27   and name HD2 ))
 ASSI { 1192}
   (( segid "A   " and resid 27   and name HG2 ))
   (( segid "A   " and resid 27   and name HN  ))
      3.100     1.200     1.200 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.83358E-02 ppm1      1.616 ppm2      8.013 CV     1
 OR { 1192}
   (( segid "A   " and resid 27   and name HG3 ))
   (( segid "A   " and resid 27   and name HN  ))
 ASSI { 1196}
   (( segid "A   " and resid 28   and name HB3 ))
   (( segid "A   " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.44173E-02 ppm1      1.715 ppm2      8.425 CV     1
 OR { 1196}
   (( segid "A   " and resid 28   and name HB2 ))
   (( segid "A   " and resid 28   and name HN  ))
 ASSI { 1201}
   (( segid "A   " and resid 28   and name HB3 ))
   (  segid "A   " and resid 28   and name HD1%)
      2.300     0.700     0.700 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.17248E-01 ppm1      1.274 ppm2      0.815 CV     1
 OR { 1201}
   (( segid "A   " and resid 28   and name HB2 ))
   (  segid "A   " and resid 28   and name HD1%)
 OR { 1201}
   (( segid "A   " and resid 28   and name HB2 ))
   (  segid "A   " and resid 28   and name HD2%)
 ASSI { 1205}
   (( segid "A   " and resid 28   and name HG  ))
   (( segid "A   " and resid 28   and name HN  ))
      4.000     2.000     2.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.19864E-02 ppm1      1.433 ppm2      8.428 CV     1
 ASSI { 1206}
   (( segid "A   " and resid 28   and name HG  ))
   (( segid "A   " and resid 28   and name HA  ))
      2.900     1.000     1.000 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.38005E-02 ppm1      1.431 ppm2      4.491 CV     1
 ASSI { 1207}
   (( segid "A   " and resid 28   and name HG  ))
   (  segid "A   " and resid 28   and name HD1%)
      1.900     0.500     0.500 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.38595E-01 ppm1      1.431 ppm2      0.818 CV     1
 OR { 1207}
   (( segid "A   " and resid 28   and name HG  ))
   (  segid "A   " and resid 28   and name HD2%)
 ASSI { 1209}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.17007E-02 ppm1      0.799 ppm2      8.450 CV     1
 ASSI { 1216}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 28   and name HA  ))
      2.600     0.800     0.800 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.94695E-02 ppm1      0.800 ppm2      4.487 CV     1
 ASSI { 1222}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 28   and name HB3 ))
      2.400     0.700     0.700 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.14790E-01 ppm1      0.802 ppm2      1.671 CV     1
 OR { 1222}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 28   and name HB2 ))
 ASSI { 1223}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 28   and name HG  ))
      2.200     0.600     0.600 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.15206E-01 ppm1      0.799 ppm2      1.448 CV     1
 ASSI { 1225}
   (( segid "A   " and resid 53   and name HG13))
   (( segid "A   " and resid 53   and name HN  ))
      2.600     0.800     0.800 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.33062E-02 ppm1      0.799 ppm2      8.539 CV     1
 ASSI { 1227}
   (( segid "A   " and resid 53   and name HG12))
   (( segid "A   " and resid 53   and name HN  ))
      3.400     1.400     1.400 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.69798E-02 ppm1      1.886 ppm2      8.532 CV     1
 ASSI { 1232}
   (( segid "A   " and resid 53   and name HG13))
   (( segid "A   " and resid 53   and name HA  ))
      2.900     1.100     1.100 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.40182E-02 ppm1      0.800 ppm2      3.503 CV     1
 ASSI { 1234}
   (( segid "A   " and resid 53   and name HG13))
   (( segid "A   " and resid 53   and name HG12))
      1.900     0.400     0.400 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.13796E-01 ppm1      0.800 ppm2      1.887 CV     1
 ASSI { 1244}
   (( segid "A   " and resid 49   and name HG3 ))
   (( segid "A   " and resid 49   and name HB2 ))
      2.400     0.700     0.700 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.87259E-02 ppm1      1.330 ppm2      1.967 CV     1
 OR { 1244}
   (( segid "A   " and resid 49   and name HG2 ))
   (( segid "A   " and resid 49   and name HB3 ))
 OR { 1244}
   (( segid "A   " and resid 49   and name HG2 ))
   (( segid "A   " and resid 49   and name HB2 ))
 OR { 1244}
   (( segid "A   " and resid 49   and name HG3 ))
   (( segid "A   " and resid 49   and name HB3 ))
 ASSI { 1253}
   (( segid "A   " and resid 41   and name HG  ))
   (  segid "A   " and resid 41   and name HD2%)
      2.000     0.500     0.500 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.21561E-01 ppm1      1.481 ppm2      0.938 CV     1
 ASSI { 1258}
   (( segid "A   " and resid 57   and name HG3 ))
   (( segid "A   " and resid 57   and name HA  ))
      2.500     0.800     0.800 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.76646E-02 ppm1      1.724 ppm2      4.099 CV     1
 OR { 1258}
   (( segid "A   " and resid 57   and name HG2 ))
   (( segid "A   " and resid 57   and name HA  ))
 ASSI { 1260}
   (( segid "A   " and resid 57   and name HG3 ))
   (( segid "A   " and resid 57   and name HD2 ))
      2.400     0.700     0.700 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.11606E-01 ppm1      1.967 ppm2      3.182 CV     1
 OR { 1260}
   (( segid "A   " and resid 57   and name HG2 ))
   (( segid "A   " and resid 57   and name HD3 ))
 OR { 1260}
   (( segid "A   " and resid 57   and name HG2 ))
   (( segid "A   " and resid 57   and name HD2 ))
 OR { 1260}
   (( segid "A   " and resid 57   and name HG3 ))
   (( segid "A   " and resid 57   and name HD3 ))
 ASSI { 1262}
   (( segid "A   " and resid 57   and name HG3 ))
   (( segid "A   " and resid 57   and name HN  ))
      3.400     1.500     1.500 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.51112E-02 ppm1      1.968 ppm2      8.325 CV     1
 OR { 1262}
   (( segid "A   " and resid 57   and name HG2 ))
   (( segid "A   " and resid 57   and name HN  ))
 ASSI { 1269}
   (( segid "A   " and resid 20   and name HG3 ))
   (( segid "A   " and resid 20   and name HN  ))
      3.200     1.300     1.300 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.22449E-02 ppm1      1.896 ppm2      8.880 CV     1
 OR { 1269}
   (( segid "A   " and resid 20   and name HG2 ))
   (( segid "A   " and resid 20   and name HN  ))
 ASSI { 1271}
   (( segid "A   " and resid 20   and name HG2 ))
   (( segid "A   " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.22495E-02 ppm1      1.795 ppm2      5.071 CV     1
 OR { 1271}
   (( segid "A   " and resid 20   and name HG3 ))
   (( segid "A   " and resid 20   and name HA  ))
 ASSI { 1275}
   (( segid "A   " and resid 20   and name HG2 ))
   (( segid "A   " and resid 20   and name HD3 ))
      2.500     0.800     0.800 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.82224E-02 ppm1      1.896 ppm2      3.233 CV     1
 OR { 1275}
   (( segid "A   " and resid 20   and name HG3 ))
   (( segid "A   " and resid 20   and name HD2 ))
 OR { 1275}
   (( segid "A   " and resid 20   and name HG2 ))
   (( segid "A   " and resid 20   and name HD2 ))
 OR { 1275}
   (( segid "A   " and resid 20   and name HG3 ))
   (( segid "A   " and resid 20   and name HD3 ))
 ASSI { 1279}
   (( segid "A   " and resid 44   and name HG2 ))
   (( segid "A   " and resid 44   and name HN  ))
      2.500     0.800     0.800 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.68437E-02 ppm1      1.947 ppm2      8.025 CV     1
 OR { 1279}
   (( segid "A   " and resid 44   and name HG3 ))
   (( segid "A   " and resid 44   and name HN  ))
 ASSI { 1282}
   (( segid "A   " and resid 44   and name HG3 ))
   (( segid "A   " and resid 44   and name HD2 ))
      2.300     0.700     0.700 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.11524E-01 ppm1      1.946 ppm2      3.136 CV     1
 OR { 1282}
   (( segid "A   " and resid 44   and name HG2 ))
   (( segid "A   " and resid 44   and name HD2 ))
 OR { 1282}
   (( segid "A   " and resid 44   and name HG3 ))
   (( segid "A   " and resid 44   and name HD3 ))
 OR { 1282}
   (( segid "A   " and resid 44   and name HG2 ))
   (( segid "A   " and resid 44   and name HD3 ))
 ASSI { 1283}
   (( segid "A   " and resid 72   and name HB  ))
   (( segid "A   " and resid 72   and name HN  ))
      3.000     1.100     1.100 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.31021E-02 ppm1      2.071 ppm2      8.090 CV     1
 ASSI { 1286}
   (( segid "A   " and resid 72   and name HB  ))
   (( segid "A   " and resid 72   and name HA  ))
      2.900     1.100     1.100 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.35330E-02 ppm1      2.072 ppm2      4.109 CV     1
 ASSI { 1287}
   (( segid "A   " and resid 72   and name HB  ))
   (  segid "A   " and resid 72   and name HG1%)
      2.200     0.600     0.600 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.18213E-01 ppm1      2.072 ppm2      0.965 CV     1
 OR { 1287}
   (( segid "A   " and resid 72   and name HB  ))
   (  segid "A   " and resid 72   and name HG2%)
 ASSI { 1290}
   (( segid "A   " and resid 37   and name HG2 ))
   (( segid "A   " and resid 37   and name HB3 ))
      2.700     0.900     0.900 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.57824E-02 ppm1      2.517 ppm2      1.638 CV     1
 OR { 1290}
   (( segid "A   " and resid 37   and name HG3 ))
   (( segid "A   " and resid 37   and name HB3 ))
 OR { 1290}
   (( segid "A   " and resid 37   and name HG2 ))
   (( segid "A   " and resid 37   and name HB2 ))
 OR { 1290}
   (( segid "A   " and resid 37   and name HG3 ))
   (( segid "A   " and resid 37   and name HB2 ))
 ASSI { 1304}
   (( segid "A   " and resid 37   and name HG2 ))
   (( segid "A   " and resid 37   and name HN  ))
      4.300     2.300     1.700 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.16055E-02 ppm1      2.517 ppm2      8.642 CV     1
 OR { 1304}
   (( segid "A   " and resid 37   and name HG3 ))
   (( segid "A   " and resid 37   and name HN  ))
 ASSI { 1308}
   (( segid "A   " and resid 58   and name HG2 ))
   (( segid "A   " and resid 58   and name HE21))
      3.100     1.200     1.200 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.19365E-02 ppm1      2.675 ppm2      7.174 CV     1
 OR { 1308}
   (( segid "A   " and resid 58   and name HG3 ))
   (( segid "A   " and resid 58   and name HE21))
 ASSI { 1309}
   (( segid "A   " and resid 58   and name HG2 ))
   (( segid "A   " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.62994E-02 ppm1      2.515 ppm2      7.650 CV     1
 OR { 1309}
   (( segid "A   " and resid 58   and name HG3 ))
   (( segid "A   " and resid 58   and name HN  ))
 ASSI { 1311}
   (( segid "A   " and resid 58   and name HG2 ))
   (( segid "A   " and resid 58   and name HE22))
      4.200     2.200     1.800 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.14603E-02 ppm1      2.677 ppm2      6.754 CV     1
 OR { 1311}
   (( segid "A   " and resid 58   and name HG3 ))
   (( segid "A   " and resid 58   and name HE22))
 ASSI { 1321}
   (( segid "A   " and resid 58   and name HG3 ))
   (( segid "A   " and resid 58   and name HA  ))
      3.100     1.200     1.200 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.52473E-02 ppm1      2.514 ppm2      4.321 CV     1
 OR { 1321}
   (( segid "A   " and resid 58   and name HG2 ))
   (( segid "A   " and resid 58   and name HA  ))
 ASSI { 1326}
   (( segid "A   " and resid 20   and name HB2 ))
   (( segid "A   " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.49842E-02 ppm1      1.981 ppm2      8.884 CV     1
 OR { 1326}
   (( segid "A   " and resid 20   and name HB3 ))
   (( segid "A   " and resid 20   and name HN  ))
 ASSI { 1339}
   (( segid "A   " and resid 20   and name HB2 ))
   (( segid "A   " and resid 20   and name HD2 ))
      2.600     0.800     0.800 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.66759E-02 ppm1      1.980 ppm2      3.240 CV     1
 OR { 1339}
   (( segid "A   " and resid 20   and name HB2 ))
   (( segid "A   " and resid 20   and name HD3 ))
 OR { 1339}
   (( segid "A   " and resid 20   and name HB3 ))
   (( segid "A   " and resid 20   and name HD2 ))
 OR { 1339}
   (( segid "A   " and resid 20   and name HB3 ))
   (( segid "A   " and resid 20   and name HD3 ))
 ASSI { 1342}
   (( segid "A   " and resid 20   and name HD2 ))
   (( segid "A   " and resid 20   and name HN  ))
      4.000     2.000     2.000 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.10976E-02 ppm1      3.229 ppm2      8.883 CV     1
 OR { 1342}
   (( segid "A   " and resid 20   and name HD3 ))
   (( segid "A   " and resid 20   and name HN  ))
 ASSI { 1344}
   (( segid "A   " and resid 20   and name HD3 ))
   (( segid "A   " and resid 20   and name HA  ))
      4.600     2.700     1.400 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.69843E-03 ppm1      3.227 ppm2      5.071 CV     1
 OR { 1344}
   (( segid "A   " and resid 20   and name HD2 ))
   (( segid "A   " and resid 20   and name HA  ))
 ASSI { 1349}
   (( segid "A   " and resid 2    and name HD2 ))
   (( segid "A   " and resid 2    and name HB2 ))
      2.800     1.000     1.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.12037E-01 ppm1      3.614 ppm2      2.016 CV     1
 OR { 1349}
   (( segid "A   " and resid 2    and name HD2 ))
   (( segid "A   " and resid 2    and name HB3 ))
 ASSI { 1350}
   (( segid "A   " and resid 2    and name HD3 ))
   (( segid "A   " and resid 2    and name HB3 ))
      2.800     1.000     1.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.11066E-01 ppm1      3.568 ppm2      2.016 CV     1
 OR { 1350}
   (( segid "A   " and resid 2    and name HD3 ))
   (( segid "A   " and resid 2    and name HB2 ))
 ASSI { 1355}
   (( segid "A   " and resid 66   and name HA2 ))
   (( segid "A   " and resid 66   and name HN  ))
      4.100     2.100     1.900 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.57597E-03 ppm1      4.074 ppm2      8.275 CV     1
 ASSI { 1356}
   (( segid "A   " and resid 66   and name HA1 ))
   (( segid "A   " and resid 66   and name HN  ))
      3.500     1.500     1.500 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.14830E-02 ppm1      3.970 ppm2      8.262 CV     1
 ASSI { 1366}
   (( segid "A   " and resid 62   and name HB3 ))
   (( segid "A   " and resid 62   and name HA  ))
      2.900     1.000     1.000 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.44173E-02 ppm1      3.817 ppm2      4.416 CV     1
 OR { 1366}
   (( segid "A   " and resid 62   and name HB2 ))
   (( segid "A   " and resid 62   and name HA  ))
 ASSI { 1375}
   (( segid "A   " and resid 6    and name HB3 ))
   (( segid "A   " and resid 6    and name HA  ))
      2.400     0.700     0.700 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.13179E-01 ppm1      4.000 ppm2      4.487 CV     1
 OR { 1375}
   (( segid "A   " and resid 6    and name HB2 ))
   (( segid "A   " and resid 6    and name HA  ))
 ASSI { 1378}
   (  segid "A   " and resid 72   and name HG1%)
   (( segid "A   " and resid 72   and name HA  ))
      3.000     1.100     1.100 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.55239E-02 ppm1      0.968 ppm2      4.107 CV     1
 ASSI { 1380}
   (  segid "A   " and resid 72   and name HG1%)
   (( segid "A   " and resid 72   and name HN  ))
      3.200     1.300     1.300 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.34967E-02 ppm1      0.970 ppm2      8.091 CV     1
 ASSI { 1381}
   (  segid "A   " and resid 11   and name HD2%)
   (( segid "A   " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.25987E-02 ppm1      0.960 ppm2      8.336 CV     1
 ASSI { 1390}
   (  segid "A   " and resid 11   and name HD1%)
   (( segid "A   " and resid 11   and name HN  ))
      3.500     1.500     1.500 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.56555E-02 ppm1      0.895 ppm2      8.345 CV     1
 ASSI { 1393}
   (  segid "A   " and resid 55   and name HD2%)
   (( segid "A   " and resid 55   and name HN  ))
      3.400     1.500     1.500 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.44718E-02 ppm1      0.892 ppm2      7.697 CV     1
 ASSI { 1397}
   (  segid "A   " and resid 28   and name HD1%)
   (( segid "A   " and resid 28   and name HN  ))
      3.200     1.300     1.300 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.66169E-02 ppm1      0.812 ppm2      8.458 CV     1
 ASSI { 1405}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.72972E-02 ppm1      3.902 ppm2      8.328 CV     1
 ASSI { 1406}
   (  segid "A   " and resid 11   and name HD2%)
   (( segid "A   " and resid 11   and name HB2 ))
      2.000     0.500     0.500 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.63389E-01 ppm1      0.969 ppm2      1.861 CV     1
 OR { 1406}
   (  segid "A   " and resid 11   and name HD2%)
   (( segid "A   " and resid 11   and name HB3 ))
 ASSI { 1407}
   (  segid "A   " and resid 11   and name HD1%)
   (( segid "A   " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.77780E-02 ppm1      0.895 ppm2      3.902 CV     1
 ASSI { 1409}
   (  segid "A   " and resid 11   and name HD1%)
   (( segid "A   " and resid 11   and name HB3 ))
      2.100     0.500     0.500 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.31348E-01 ppm1      0.895 ppm2      1.864 CV     1
 OR { 1409}
   (  segid "A   " and resid 11   and name HD1%)
   (( segid "A   " and resid 11   and name HB2 ))
 ASSI { 1410}
   (( segid "A   " and resid 11   and name HG  ))
   (( segid "A   " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.72473E-02 ppm1      1.711 ppm2      3.897 CV     1
 ASSI { 1413}
   (( segid "A   " and resid 11   and name HG  ))
   (( segid "A   " and resid 11   and name HN  ))
      3.400     1.400     1.400 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.69299E-02 ppm1      1.709 ppm2      8.343 CV     1
 ASSI { 1414}
   (  segid "A   " and resid 68   and name HD1%)
   (( segid "A   " and resid 68   and name HA  ))
      2.000     0.500     0.500 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.28767E-01 ppm1      0.857 ppm2      4.376 CV     1
 ASSI { 1415}
   (  segid "A   " and resid 52   and name HD1%)
   (( segid "A   " and resid 52   and name HA  ))
      2.700     2.700     3.300 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.31792E-01 ppm1      0.854 ppm2      4.062 CV     1
 ASSI { 1418}
   (( segid "A   " and resid 45   and name HG  ))
   (  segid "A   " and resid 45   and name HD1%)
      2.300     0.600     0.600 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.11130E-01 ppm1      1.767 ppm2      0.401 CV     1
 ASSI { 1419}
   (( segid "A   " and resid 45   and name HG  ))
   (( segid "A   " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.77462E-02 ppm1      1.767 ppm2      8.420 CV     1
 ASSI { 1421}
   (( segid "A   " and resid 56   and name HG  ))
   (( segid "A   " and resid 56   and name HA  ))
      3.000     1.100     1.100 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.61226E-02 ppm1      1.858 ppm2      4.028 CV     1
 ASSI { 1424}
   (( segid "A   " and resid 56   and name HG  ))
   (( segid "A   " and resid 56   and name HN  ))
      2.700     0.900     0.900 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.87936E-02 ppm1      1.859 ppm2      8.675 CV     1
 ASSI { 1426}
   (( segid "A   " and resid 56   and name HG  ))
   (  segid "A   " and resid 56   and name HD2%)
      2.300     0.700     0.700 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.12122E-01 ppm1      1.859 ppm2      0.716 CV     1
 ASSI { 1427}
   (( segid "A   " and resid 56   and name HB3 ))
   (( segid "A   " and resid 56   and name HG  ))
      2.100     0.500     0.500 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.23502E-01 ppm1      1.538 ppm2      1.904 CV     1
 OR { 1427}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 56   and name HG  ))
 ASSI { 1431}
   (( segid "A   " and resid 56   and name HB3 ))
   (( segid "A   " and resid 56   and name HN  ))
      2.500     0.800     0.800 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.69525E-02 ppm1      1.910 ppm2      8.671 CV     1
 OR { 1431}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 56   and name HN  ))
 ASSI { 1433}
   (( segid "A   " and resid 55   and name HA  ))
   (  segid "A   " and resid 55   and name HD2%)
      1.900     0.500     0.500 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.34341E-01 ppm1      4.156 ppm2      0.882 CV     1
 ASSI { 1434}
   (( segid "A   " and resid 55   and name HA  ))
   (( segid "A   " and resid 55   and name HB2 ))
      1.900     0.500     0.500 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.40899E-01 ppm1      4.158 ppm2      1.752 CV     1
 OR { 1434}
   (( segid "A   " and resid 55   and name HA  ))
   (( segid "A   " and resid 55   and name HB3 ))
 ASSI { 1438}
   (( segid "A   " and resid 45   and name HG  ))
   (( segid "A   " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.62178E-02 ppm1      1.776 ppm2      3.865 CV     1
 ASSI { 1444}
   (( segid "A   " and resid 18   and name HA1 ))
   (( segid "A   " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.10273E-01 ppm1      4.305 ppm2      7.865 CV     1
 ASSI { 1445}
   (( segid "A   " and resid 18   and name HA2 ))
   (( segid "A   " and resid 18   and name HN  ))
      2.600     0.900     0.900 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.11946E-01 ppm1      3.710 ppm2      7.867 CV     1
 ASSI { 1446}
   (( segid "A   " and resid 18   and name HA1 ))
   (( segid "A   " and resid 18   and name HA2 ))
      1.800     0.400     0.400 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.29865E-01 ppm1      4.304 ppm2      3.711 CV     1
 ASSI { 1461}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.61860E-02 ppm1      2.274 ppm2      8.961 CV     1
 OR { 1461}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 31   and name HN  ))
 ASSI { 1463}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.70206E-02 ppm1      2.273 ppm2      4.721 CV     1
 OR { 1463}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 31   and name HA  ))
 ASSI { 1466}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 31   and name HG2 ))
      2.400     0.700     0.700 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.10028E-01 ppm1      2.273 ppm2      2.517 CV     1
 OR { 1466}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 31   and name HG2 ))
 OR { 1466}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 31   and name HG3 ))
 OR { 1466}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 31   and name HG3 ))
 ASSI { 1471}
   (( segid "A   " and resid 31   and name HG2 ))
   (( segid "A   " and resid 31   and name HE22))
      3.800     1.800     1.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.26214E-02 ppm1      2.555 ppm2      7.540 CV     1
 OR { 1471}
   (( segid "A   " and resid 31   and name HG3 ))
   (( segid "A   " and resid 31   and name HE22))
 ASSI { 1472}
   (( segid "A   " and resid 31   and name HG2 ))
   (( segid "A   " and resid 31   and name HN  ))
      4.100     2.100     1.900 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.11656E-02 ppm1      2.557 ppm2      8.958 CV     1
 OR { 1472}
   (( segid "A   " and resid 31   and name HG3 ))
   (( segid "A   " and resid 31   and name HN  ))
 ASSI { 1475}
   (( segid "A   " and resid 31   and name HG3 ))
   (( segid "A   " and resid 31   and name HA  ))
      3.100     1.200     1.200 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.29842E-02 ppm1      2.557 ppm2      4.723 CV     1
 OR { 1475}
   (( segid "A   " and resid 31   and name HG2 ))
   (( segid "A   " and resid 31   and name HA  ))
 ASSI { 1479}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.70160E-02 ppm1      4.357 ppm2      7.315 CV     1
 ASSI { 1483}
   (( segid "A   " and resid 17   and name HA  ))
   (  segid "A   " and resid 17   and name HD2%)
      1.900     0.500     0.500 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.40781E-01 ppm1      4.358 ppm2      0.818 CV     1
 ASSI { 1492}
   (( segid "A   " and resid 45   and name HB2 ))
   (( segid "A   " and resid 45   and name HN  ))
      2.800     1.000     1.000 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.34649E-02 ppm1      0.989 ppm2      8.420 CV     1
 OR { 1492}
   (( segid "A   " and resid 45   and name HB3 ))
   (( segid "A   " and resid 45   and name HN  ))
 ASSI { 1495}
   (( segid "A   " and resid 13   and name HE1 ))
   (( segid "A   " and resid 13   and name HD2 ))
      4.800     2.900     1.200 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.50341E-03 ppm1      6.587 ppm2      7.842 CV     1
 ASSI { 1496}
   (( segid "A   " and resid 22   and name HZ2 ))
   (( segid "A   " and resid 22   and name HZ3 ))
      4.300     2.300     1.700 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.12744E-02 ppm1      7.275 ppm2      6.735 CV     1
 ASSI { 1498}
   (  segid "A   " and resid 19   and name HG2%)
   (( segid "A   " and resid 19   and name HN  ))
      2.200     0.600     0.600 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.13987E-01 ppm1      0.868 ppm2      7.842 CV     1
 ASSI { 1500}
   (  segid "A   " and resid 23   and name HG1%)
   (( segid "A   " and resid 23   and name HN  ))
      2.100     0.600     0.600 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.16109E-01 ppm1      0.955 ppm2      8.576 CV     1
 ASSI { 1502}
   (( segid "A   " and resid 57   and name HB2 ))
   (( segid "A   " and resid 57   and name HN  ))
      2.100     0.500     0.500 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.16450E-01 ppm1      1.959 ppm2      8.336 CV     1
 OR { 1502}
   (( segid "A   " and resid 57   and name HB3 ))
   (( segid "A   " and resid 57   and name HN  ))
 ASSI { 1503}
   (( segid "A   " and resid 44   and name HB2 ))
   (( segid "A   " and resid 44   and name HN  ))
      2.500     0.800     0.800 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.10078E-01 ppm1      1.956 ppm2      8.025 CV     1
 OR { 1503}
   (( segid "A   " and resid 44   and name HB3 ))
   (( segid "A   " and resid 44   and name HN  ))
 ASSI { 1508}
   (  segid "A   " and resid 7    and name HB% )
   (( segid "A   " and resid 7    and name HA  ))
      2.100     0.500     0.500 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.29638E-01 ppm1      1.400 ppm2      4.062 CV     1
 ASSI { 1520}
   (( segid "A   " and resid 49   and name HD2 ))
   (( segid "A   " and resid 49   and name HB3 ))
      2.300     0.700     0.700 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.16667E-01 ppm1      3.307 ppm2      1.956 CV     1
 OR { 1520}
   (( segid "A   " and resid 49   and name HD2 ))
   (( segid "A   " and resid 49   and name HB2 ))
 OR { 1520}
   (( segid "A   " and resid 49   and name HD3 ))
   (( segid "A   " and resid 49   and name HB3 ))
 OR { 1520}
   (( segid "A   " and resid 49   and name HD3 ))
   (( segid "A   " and resid 49   and name HB2 ))
 ASSI { 1521}
   (( segid "A   " and resid 49   and name HD3 ))
   (( segid "A   " and resid 49   and name HG2 ))
      2.200     0.600     0.600 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.12676E-01 ppm1      3.308 ppm2      1.608 CV     1
 OR { 1521}
   (( segid "A   " and resid 49   and name HD2 ))
   (( segid "A   " and resid 49   and name HG2 ))
 OR { 1521}
   (( segid "A   " and resid 49   and name HD3 ))
   (( segid "A   " and resid 49   and name HG3 ))
 OR { 1521}
   (( segid "A   " and resid 49   and name HD2 ))
   (( segid "A   " and resid 49   and name HG3 ))
 ASSI { 1524}
   (( segid "A   " and resid 57   and name HB3 ))
   (( segid "A   " and resid 57   and name HD3 ))
      2.200     0.600     0.600 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.20517E-01 ppm1      1.960 ppm2      3.172 CV     1
 OR { 1524}
   (( segid "A   " and resid 57   and name HB3 ))
   (( segid "A   " and resid 57   and name HD2 ))
 OR { 1524}
   (( segid "A   " and resid 57   and name HB2 ))
   (( segid "A   " and resid 57   and name HD2 ))
 OR { 1524}
   (( segid "A   " and resid 57   and name HB2 ))
   (( segid "A   " and resid 57   and name HD3 ))
 ASSI { 1528}
   (( segid "A   " and resid 49   and name HG2 ))
   (( segid "A   " and resid 49   and name HN  ))
      2.400     0.700     0.700 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.63221E-02 ppm1      1.604 ppm2      7.211 CV     1
 OR { 1528}
   (( segid "A   " and resid 49   and name HG3 ))
   (( segid "A   " and resid 49   and name HN  ))
 ASSI { 1532}
   (( segid "A   " and resid 50   and name HE1 ))
   (( segid "A   " and resid 50   and name HN  ))
      4.800     2.900     1.200 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.35375E-03 ppm1      7.219 ppm2      8.547 CV     1
 ASSI { 1548}
   (( segid "A   " and resid 52   and name HG  ))
   (( segid "A   " and resid 52   and name HN  ))
      2.600     0.800     0.800 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.64083E-02 ppm1      1.801 ppm2      8.647 CV     1
 ASSI { 1550}
   (( segid "A   " and resid 52   and name HG  ))
   (( segid "A   " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.51475E-02 ppm1      1.800 ppm2      4.054 CV     1
 ASSI { 1553}
   (( segid "A   " and resid 52   and name HG  ))
   (  segid "A   " and resid 52   and name HD2%)
      1.800     0.400     0.400 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.47747E-01 ppm1      1.800 ppm2      0.865 CV     1
 ASSI { 1554}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 58   and name HN  ))
      2.500     0.800     0.800 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.98278E-02 ppm1      4.319 ppm2      7.647 CV     1
 ASSI { 1558}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 58   and name HB2 ))
      2.300     0.600     0.600 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.16313E-01 ppm1      4.318 ppm2      2.532 CV     1
 OR { 1558}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 58   and name HB3 ))
 ASSI { 1564}
   (  segid "A   " and resid 41   and name HD1%)
   (( segid "A   " and resid 41   and name HN  ))
      4.700     2.800     1.300 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.11610E-02 ppm1      0.959 ppm2      7.843 CV     1
 ASSI { 1571}
   (( segid "A   " and resid 76   and name HA2 ))
   (( segid "A   " and resid 76   and name HN  ))
      4.200     2.200     1.800 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.48074E-03 ppm1      3.861 ppm2      8.194 CV     1
 ASSI { 1572}
   (( segid "A   " and resid 76   and name HA1 ))
   (( segid "A   " and resid 76   and name HN  ))
      4.600     2.600     1.400 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.30386E-03 ppm1      3.737 ppm2      8.202 CV     1
 ASSI { 1573}
   (( segid "A   " and resid 46   and name HA2 ))
   (( segid "A   " and resid 46   and name HN  ))
      3.500     1.500     1.500 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.25579E-02 ppm1      3.989 ppm2      8.198 CV     1
 ASSI { 1574}
   (( segid "A   " and resid 46   and name HA1 ))
   (( segid "A   " and resid 46   and name HN  ))
      3.300     1.400     1.400 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.12790E-02 ppm1      3.766 ppm2      8.196 CV     1
 ASSI { 1583}
   (( segid "A   " and resid 4    and name HA1 ))
   (( segid "A   " and resid 4    and name HN  ))
      4.700     2.700     1.300 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.26305E-03 ppm1      4.007 ppm2      8.396 CV     1
 OR { 1583}
   (( segid "A   " and resid 4    and name HA2 ))
   (( segid "A   " and resid 4    and name HN  ))
 ASSI { 1587}
   (( segid "A   " and resid 69   and name HA  ))
   (( segid "A   " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.61997E-02 ppm1      4.396 ppm2      8.165 CV     1
 ASSI { 1591}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 77   and name HD3 ))
      6.000     5.300     0.000 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.81635E-04 ppm1      4.550 ppm2      3.194 CV     1
 OR { 1591}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 77   and name HD2 ))
 ASSI { 1592}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 77   and name HN  ))
      3.000     1.100     1.100 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.33742E-02 ppm1      4.551 ppm2      8.052 CV     1
 ASSI { 1593}
   (( segid "A   " and resid 75   and name HA  ))
   (( segid "A   " and resid 75   and name HN  ))
      3.900     1.900     1.900 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.74831E-03 ppm1      4.520 ppm2      8.043 CV     1
 ASSI { 1595}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 77   and name HB2 ))
      3.400     1.400     1.400 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.15466E-02 ppm1      4.549 ppm2      1.845 CV     1
 OR { 1595}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 77   and name HB3 ))
 ASSI { 1596}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 77   and name HG3 ))
      3.700     1.700     1.700 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.11928E-02 ppm1      4.548 ppm2      1.623 CV     1
 OR { 1596}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 77   and name HG2 ))
 ASSI { 1599}
   (( segid "A   " and resid 73   and name HA  ))
   (  segid "A   " and resid 73   and name HB% )
      3.100     1.200     1.200 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.28254E-02 ppm1      4.379 ppm2      1.412 CV     1
 ASSI { 1600}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 73   and name HN  ))
      3.800     1.800     1.800 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.80727E-03 ppm1      4.387 ppm2      8.329 CV     1
 ASSI { 1601}
   (( segid "A   " and resid 63   and name HB3 ))
   (( segid "A   " and resid 63   and name HA  ))
      3.100     1.200     1.200 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.27756E-02 ppm1      3.938 ppm2      4.433 CV     1
 OR { 1601}
   (( segid "A   " and resid 63   and name HB2 ))
   (( segid "A   " and resid 63   and name HA  ))
 ASSI { 1606}
   (( segid "A   " and resid 45   and name HG  ))
   (  segid "A   " and resid 45   and name HD2%)
      2.900     1.000     1.000 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.29162E-02 ppm1      1.767 ppm2      0.625 CV     1
 ASSI { 1608}
   (( segid "A   " and resid 21   and name HG  ))
   (  segid "A   " and resid 21   and name HD1%)
      2.100     0.500     0.500 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.19906E-01 ppm1      1.692 ppm2      0.875 CV     1
 ASSI { 1612}
   (( segid "A   " and resid 27   and name HG3 ))
   (( segid "A   " and resid 27   and name HA  ))
      3.400     1.400     1.400 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.25760E-02 ppm1      1.618 ppm2      4.563 CV     1
 OR { 1612}
   (( segid "A   " and resid 27   and name HG2 ))
   (( segid "A   " and resid 27   and name HA  ))
 ASSI { 1613}
   (( segid "A   " and resid 27   and name HG3 ))
   (( segid "A   " and resid 27   and name HD2 ))
      2.700     0.900     0.900 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.45760E-02 ppm1      1.617 ppm2      3.196 CV     1
 OR { 1613}
   (( segid "A   " and resid 27   and name HG2 ))
   (( segid "A   " and resid 27   and name HD2 ))
 OR { 1613}
   (( segid "A   " and resid 27   and name HG3 ))
   (( segid "A   " and resid 27   and name HD3 ))
 OR { 1613}
   (( segid "A   " and resid 27   and name HG2 ))
   (( segid "A   " and resid 27   and name HD3 ))
 ASSI { 1615}
   (( segid "A   " and resid 49   and name HB3 ))
   (( segid "A   " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.21633E-02 ppm1      1.995 ppm2      7.206 CV     1
 OR { 1615}
   (( segid "A   " and resid 49   and name HB2 ))
   (( segid "A   " and resid 49   and name HN  ))
 ASSI { 1630}
   (( segid "A   " and resid 47   and name HA2 ))
   (( segid "A   " and resid 47   and name HN  ))
      3.300     1.400     1.400 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.32200E-02 ppm1      4.074 ppm2      8.212 CV     1
 ASSI { 1631}
   (( segid "A   " and resid 47   and name HA1 ))
   (( segid "A   " and resid 47   and name HN  ))
      2.800     1.000     1.000 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.35919E-02 ppm1      3.944 ppm2      8.211 CV     1
 ASSI { 1642}
   (( segid "A   " and resid 61   and name HD3 ))
   (( segid "A   " and resid 61   and name HG3 ))
      3.200     1.300     1.300 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.18685E-02 ppm1      3.572 ppm2      1.845 CV     1
 OR { 1642}
   (( segid "A   " and resid 61   and name HD3 ))
   (( segid "A   " and resid 61   and name HG2 ))
 ASSI { 1651}
   (( segid "A   " and resid 60   and name HA  ))
   (( segid "A   " and resid 60   and name HE21))
      5.100     3.300     0.900 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.22676E-03 ppm1      4.689 ppm2      7.557 CV     1
 ASSI { 1659}
   (( segid "A   " and resid 24   and name HG2 ))
   (( segid "A   " and resid 24   and name HB3 ))
      2.700     0.900     0.900 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.57416E-02 ppm1      2.340 ppm2      1.907 CV     1
 OR { 1659}
   (( segid "A   " and resid 24   and name HG2 ))
   (( segid "A   " and resid 24   and name HB2 ))
 OR { 1659}
   (( segid "A   " and resid 24   and name HG3 ))
   (( segid "A   " and resid 24   and name HB3 ))
 OR { 1659}
   (( segid "A   " and resid 24   and name HG3 ))
   (( segid "A   " and resid 24   and name HB2 ))
 ASSI { 1662}
   (( segid "A   " and resid 40   and name HG2 ))
   (( segid "A   " and resid 40   and name HN  ))
      4.900     3.000     1.100 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.72111E-03 ppm1      2.300 ppm2      8.462 CV     1
 OR { 1662}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 40   and name HN  ))
 ASSI { 1663}
   (( segid "A   " and resid 60   and name HG2 ))
   (( segid "A   " and resid 60   and name HA  ))
      3.200     1.300     1.300 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.20272E-02 ppm1      2.478 ppm2      4.710 CV     1
 OR { 1663}
   (( segid "A   " and resid 60   and name HG3 ))
   (( segid "A   " and resid 60   and name HA  ))
 ASSI { 1666}
   (( segid "A   " and resid 60   and name HG3 ))
   (( segid "A   " and resid 60   and name HB2 ))
      3.000     1.100     1.100 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.34559E-02 ppm1      2.475 ppm2      1.983 CV     1
 OR { 1666}
   (( segid "A   " and resid 60   and name HG3 ))
   (( segid "A   " and resid 60   and name HB3 ))
 OR { 1666}
   (( segid "A   " and resid 60   and name HG2 ))
   (( segid "A   " and resid 60   and name HB2 ))
 OR { 1666}
   (( segid "A   " and resid 60   and name HG2 ))
   (( segid "A   " and resid 60   and name HB3 ))
 ASSI { 1669}
   (( segid "A   " and resid 60   and name HG3 ))
   (( segid "A   " and resid 60   and name HE22))
      4.500     2.500     1.500 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.89342E-03 ppm1      2.474 ppm2      6.970 CV     1
 OR { 1669}
   (( segid "A   " and resid 60   and name HG2 ))
   (( segid "A   " and resid 60   and name HE22))
 ASSI { 1670}
   (( segid "A   " and resid 60   and name HG3 ))
   (( segid "A   " and resid 60   and name HE21))
      3.100     1.200     1.200 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.22404E-02 ppm1      2.475 ppm2      7.575 CV     1
 OR { 1670}
   (( segid "A   " and resid 60   and name HG2 ))
   (( segid "A   " and resid 60   and name HE21))
 ASSI { 1683}
   (( segid "A   " and resid 57   and name HD2 ))
   (( segid "A   " and resid 57   and name HA  ))
      3.500     1.600     1.600 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.35511E-02 ppm1      3.174 ppm2      4.082 CV     1
 OR { 1683}
   (( segid "A   " and resid 57   and name HD3 ))
   (( segid "A   " and resid 57   and name HA  ))
 ASSI { 1684}
   (( segid "A   " and resid 44   and name HD3 ))
   (( segid "A   " and resid 44   and name HA  ))
      3.500     1.500     1.500 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.18413E-02 ppm1      3.105 ppm2      4.109 CV     1
 ASSI { 1686}
   (( segid "A   " and resid 44   and name HD3 ))
   (( segid "A   " and resid 44   and name HN  ))
      4.700     2.800     1.300 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.48527E-03 ppm1      3.104 ppm2      8.024 CV     1
 ASSI { 1689}
   (( segid "A   " and resid 44   and name HD2 ))
   (( segid "A   " and resid 44   and name HN  ))
      4.600     2.700     1.400 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.70750E-03 ppm1      3.168 ppm2      8.023 CV     1
 ASSI { 1690}
   (( segid "A   " and resid 27   and name HD3 ))
   (( segid "A   " and resid 27   and name HN  ))
      4.700     2.700     1.300 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.73017E-03 ppm1      3.183 ppm2      7.993 CV     1
 OR { 1690}
   (( segid "A   " and resid 27   and name HD2 ))
   (( segid "A   " and resid 27   and name HN  ))
 ASSI { 1691}
   (( segid "A   " and resid 57   and name HD2 ))
   (( segid "A   " and resid 57   and name HN  ))
      4.500     2.600     1.500 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.11519E-02 ppm1      3.179 ppm2      8.347 CV     1
 OR { 1691}
   (( segid "A   " and resid 57   and name HD3 ))
   (( segid "A   " and resid 57   and name HN  ))
 ASSI { 1694}
   (( segid "A   " and resid 44   and name HD3 ))
   (( segid "A   " and resid 44   and name HB3 ))
      2.700     0.900     0.900 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.57098E-02 ppm1      3.104 ppm2      1.944 CV     1
 OR { 1694}
   (( segid "A   " and resid 44   and name HD3 ))
   (( segid "A   " and resid 44   and name HB2 ))
 ASSI { 1695}
   (( segid "A   " and resid 44   and name HD3 ))
   (( segid "A   " and resid 44   and name HG2 ))
      3.000     1.100     1.100 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.29116E-02 ppm1      3.104 ppm2      1.690 CV     1
 OR { 1695}
   (( segid "A   " and resid 44   and name HD3 ))
   (( segid "A   " and resid 44   and name HG3 ))
 ASSI { 1705}
   (( segid "A   " and resid 55   and name HB2 ))
   (( segid "A   " and resid 55   and name HN  ))
      2.900     1.000     1.000 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.30477E-02 ppm1      1.819 ppm2      7.708 CV     1
 OR { 1705}
   (( segid "A   " and resid 55   and name HB3 ))
   (( segid "A   " and resid 55   and name HN  ))
 ASSI { 1712}
   (( segid "A   " and resid 55   and name HB2 ))
   (  segid "A   " and resid 55   and name HD2%)
      2.800     1.000     1.000 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.83584E-02 ppm1      1.701 ppm2      0.883 CV     1
 OR { 1712}
   (( segid "A   " and resid 55   and name HB3 ))
   (  segid "A   " and resid 55   and name HD2%)
 ASSI { 1716}
   (( segid "A   " and resid 78   and name HB2 ))
   (( segid "A   " and resid 78   and name HN  ))
      3.500     1.500     1.500 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.15420E-02 ppm1      1.590 ppm2      8.054 CV     1
 OR { 1716}
   (( segid "A   " and resid 78   and name HB3 ))
   (( segid "A   " and resid 78   and name HN  ))
 ASSI { 1717}
   (( segid "A   " and resid 78   and name HB3 ))
   (( segid "A   " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.28844E-02 ppm1      1.595 ppm2      4.276 CV     1
 OR { 1717}
   (( segid "A   " and resid 78   and name HB2 ))
   (( segid "A   " and resid 78   and name HA  ))
 ASSI { 1718}
   (( segid "A   " and resid 78   and name HB3 ))
   (  segid "A   " and resid 78   and name HD2%)
      2.900     1.100     1.100 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.49570E-02 ppm1      1.593 ppm2      0.858 CV     1
 OR { 1718}
   (( segid "A   " and resid 78   and name HB2 ))
   (  segid "A   " and resid 78   and name HD1%)
 OR { 1718}
   (( segid "A   " and resid 78   and name HB2 ))
   (  segid "A   " and resid 78   and name HD2%)
 OR { 1718}
   (( segid "A   " and resid 78   and name HB3 ))
   (  segid "A   " and resid 78   and name HD1%)
 ASSI { 1734}
   (( segid "A   " and resid 30   and name HB2 ))
   (  segid "A   " and resid 30   and name HE% )
      5.800     4.200     0.200 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.21769E-03 ppm1      2.761 ppm2      7.233 CV     1
 OR { 1734}
   (( segid "A   " and resid 30   and name HB3 ))
   (  segid "A   " and resid 30   and name HE% )
 ASSI { 1739}
   (  segid "A   " and resid 15   and name HB% )
   (( segid "A   " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.92840E-02 ppm1      1.542 ppm2      4.479 CV     1
 ASSI { 1740}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 16   and name HB2 ))
      2.500     0.800     0.800 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.11737E-01 ppm1      4.295 ppm2      4.100 CV     1
 OR { 1740}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 16   and name HB3 ))
 ASSI { 1749}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 16   and name HN  ))
      2.900     1.000     1.000 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.43493E-02 ppm1      4.292 ppm2      8.161 CV     1
 ASSI { 1760}
   (  segid "A   " and resid 7    and name HB% )
   (( segid "A   " and resid 7    and name HN  ))
      3.600     1.600     1.600 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.13605E-02 ppm1      1.399 ppm2      8.671 CV     1
 ASSI { 1785}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 9    and name HN  ))
      3.200     1.300     1.300 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.22767E-02 ppm1      4.218 ppm2      7.822 CV     1
 ASSI { 1787}
   (( segid "A   " and resid 10   and name HA  ))
   (  segid "A   " and resid 10   and name HD1%)
      2.600     0.900     0.900 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.73834E-02 ppm1      4.187 ppm2      0.853 CV     1
 OR { 1787}
   (( segid "A   " and resid 10   and name HA  ))
   (  segid "A   " and resid 10   and name HD2%)
 ASSI { 1792}
   (  segid "A   " and resid 10   and name HD2%)
   (( segid "A   " and resid 10   and name HA  ))
      3.900     1.900     1.900 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.29932E-02 ppm1      0.809 ppm2      4.157 CV     1
 ASSI { 1795}
   (  segid "A   " and resid 10   and name HD2%)
   (( segid "A   " and resid 10   and name HB3 ))
      2.500     0.800     0.800 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.88207E-02 ppm1      0.810 ppm2      1.745 CV     1
 OR { 1795}
   (  segid "A   " and resid 10   and name HD2%)
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI { 1798}
   (  segid "A   " and resid 10   and name HD2%)
   (( segid "A   " and resid 10   and name HG  ))
      2.700     0.900     0.900 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.49525E-02 ppm1      0.818 ppm2      1.558 CV     1
 ASSI { 1799}
   (( segid "A   " and resid 10   and name HG  ))
   (( segid "A   " and resid 10   and name HN  ))
      4.300     2.400     1.700 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.13379E-02 ppm1      1.557 ppm2      7.938 CV     1
 ASSI { 1801}
   (( segid "A   " and resid 10   and name HG  ))
   (( segid "A   " and resid 10   and name HA  ))
      3.700     1.700     1.700 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.12925E-02 ppm1      1.556 ppm2      4.173 CV     1
 ASSI { 1804}
   (( segid "A   " and resid 10   and name HG  ))
   (  segid "A   " and resid 10   and name HD2%)
      2.500     0.800     0.800 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.84174E-02 ppm1      1.557 ppm2      0.837 CV     1
 OR { 1804}
   (( segid "A   " and resid 10   and name HG  ))
   (  segid "A   " and resid 10   and name HD1%)
 ASSI { 1805}
   (( segid "A   " and resid 11   and name HB2 ))
   (( segid "A   " and resid 11   and name HN  ))
      2.900     1.100     1.100 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.27756E-02 ppm1      1.691 ppm2      8.337 CV     1
 OR { 1805}
   (( segid "A   " and resid 11   and name HB3 ))
   (( segid "A   " and resid 11   and name HN  ))
 ASSI { 1807}
   (( segid "A   " and resid 11   and name HG  ))
   (  segid "A   " and resid 11   and name HD1%)
      2.400     0.700     0.700 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.11469E-01 ppm1      1.713 ppm2      0.903 CV     1
 ASSI { 1813}
   (  segid "A   " and resid 15   and name HB% )
   (( segid "A   " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.45171E-02 ppm1      1.544 ppm2      8.653 CV     1
 ASSI { 1818}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "A   " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.21406E-02 ppm1      4.476 ppm2      8.644 CV     1
 ASSI { 1835}
   (  segid "A   " and resid 17   and name HD2%)
   (( segid "A   " and resid 17   and name HB3 ))
      2.700     0.900     0.900 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.71657E-02 ppm1      0.811 ppm2      1.638 CV     1
 OR { 1835}
   (  segid "A   " and resid 17   and name HD2%)
   (( segid "A   " and resid 17   and name HB2 ))
 ASSI { 1854}
   (( segid "A   " and resid 20   and name HD3 ))
   (( segid "A   " and resid 20   and name HG2 ))
      2.600     0.900     0.900 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.60228E-02 ppm1      3.238 ppm2      1.902 CV     1
 OR { 1854}
   (( segid "A   " and resid 20   and name HD2 ))
   (( segid "A   " and resid 20   and name HG3 ))
 OR { 1854}
   (( segid "A   " and resid 20   and name HD2 ))
   (( segid "A   " and resid 20   and name HG2 ))
 OR { 1854}
   (( segid "A   " and resid 20   and name HD3 ))
   (( segid "A   " and resid 20   and name HG3 ))
 ASSI { 1862}
   (( segid "A   " and resid 22   and name HH2 ))
   (( segid "A   " and resid 22   and name HE1 ))
      6.000     4.700     0.000 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.17234E-03 ppm1      6.903 ppm2     10.654 CV     1
 ASSI { 1871}
   (( segid "A   " and resid 28   and name HB2 ))
   (( segid "A   " and resid 28   and name HG  ))
      3.000     1.200     1.200 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.23583E-02 ppm1      1.275 ppm2      1.421 CV     1
 OR { 1871}
   (( segid "A   " and resid 28   and name HB3 ))
   (( segid "A   " and resid 28   and name HG  ))
 ASSI { 1880}
   (  segid "A   " and resid 28   and name HD1%)
   (( segid "A   " and resid 28   and name HA  ))
      4.000     2.000     2.000 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.12698E-02 ppm1      0.814 ppm2      4.491 CV     1
 ASSI { 1888}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 31   and name HN  ))
      4.500     2.600     1.500 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.18141E-03 ppm1      4.729 ppm2      8.983 CV     1
 ASSI { 1893}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 31   and name HE22))
      6.000     5.300     0.000 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.90706E-04 ppm1      2.265 ppm2      7.533 CV     1
 OR { 1893}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 31   and name HE22))
 ASSI { 1900}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 32   and name HN  ))
      4.500     2.500     1.500 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.20409E-03 ppm1      5.217 ppm2      9.128 CV     1
 ASSI { 1909}
   (( segid "A   " and resid 33   and name HB2 ))
   (( segid "A   " and resid 33   and name HG2 ))
      2.900     1.100     1.100 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.28300E-02 ppm1      2.634 ppm2      2.286 CV     1
 OR { 1909}
   (( segid "A   " and resid 33   and name HB3 ))
   (( segid "A   " and resid 33   and name HG3 ))
 OR { 1909}
   (( segid "A   " and resid 33   and name HB2 ))
   (( segid "A   " and resid 33   and name HG3 ))
 OR { 1909}
   (( segid "A   " and resid 33   and name HB3 ))
   (( segid "A   " and resid 33   and name HG2 ))
 ASSI { 1917}
   (( segid "A   " and resid 34   and name HD2 ))
   (( segid "A   " and resid 34   and name HD3 ))
      2.100     0.500     0.500 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.80546E-02 ppm1      3.945 ppm2      3.697 CV     1
 ASSI { 1920}
   (( segid "A   " and resid 34   and name HD2 ))
   (( segid "A   " and resid 34   and name HB3 ))
      3.800     1.800     1.800 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.31656E-02 ppm1      3.940 ppm2      1.956 CV     1
 OR { 1920}
   (( segid "A   " and resid 34   and name HD2 ))
   (( segid "A   " and resid 34   and name HB2 ))
 ASSI { 1922}
   (( segid "A   " and resid 35   and name HA2 ))
   (( segid "A   " and resid 35   and name HA1 ))
      2.200     0.600     0.600 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.82360E-02 ppm1      4.225 ppm2      3.782 CV     1
 ASSI { 1935}
   (( segid "A   " and resid 36   and name HB  ))
   (( segid "A   " and resid 36   and name HN  ))
      3.400     1.400     1.400 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.34195E-02 ppm1      1.981 ppm2      7.431 CV     1
 ASSI { 1936}
   (( segid "A   " and resid 36   and name HB  ))
   (  segid "A   " and resid 36   and name HG2%)
      2.400     0.700     0.700 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.82723E-02 ppm1      1.980 ppm2      0.922 CV     1
 ASSI { 1940}
   (  segid "A   " and resid 36   and name HG2%)
   (( segid "A   " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.13016E-02 ppm1      0.892 ppm2      7.434 CV     1
 ASSI { 1948}
   (( segid "A   " and resid 37   and name HB3 ))
   (( segid "A   " and resid 37   and name HG2 ))
      3.000     1.100     1.100 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.27484E-02 ppm1      2.182 ppm2      2.524 CV     1
 OR { 1948}
   (( segid "A   " and resid 37   and name HB3 ))
   (( segid "A   " and resid 37   and name HG3 ))
 OR { 1948}
   (( segid "A   " and resid 37   and name HB2 ))
   (( segid "A   " and resid 37   and name HG2 ))
 OR { 1948}
   (( segid "A   " and resid 37   and name HB2 ))
   (( segid "A   " and resid 37   and name HG3 ))
 ASSI { 1970}
   (( segid "A   " and resid 40   and name HB3 ))
   (( segid "A   " and resid 40   and name HG2 ))
      2.200     0.600     0.600 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.20277E-01 ppm1      1.910 ppm2      2.310 CV     1
 OR { 1970}
   (( segid "A   " and resid 40   and name HB2 ))
   (( segid "A   " and resid 40   and name HG2 ))
 OR { 1970}
   (( segid "A   " and resid 40   and name HB3 ))
   (( segid "A   " and resid 40   and name HG3 ))
 OR { 1970}
   (( segid "A   " and resid 40   and name HB2 ))
   (( segid "A   " and resid 40   and name HG3 ))
 ASSI { 1975}
   (( segid "A   " and resid 40   and name HB3 ))
   (( segid "A   " and resid 40   and name HN  ))
      3.500     1.500     1.500 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.10749E-02 ppm1      2.124 ppm2      8.468 CV     1
 OR { 1975}
   (( segid "A   " and resid 40   and name HB2 ))
   (( segid "A   " and resid 40   and name HN  ))
 ASSI { 1982}
   (( segid "A   " and resid 44   and name HA  ))
   (( segid "A   " and resid 44   and name HN  ))
      3.100     1.200     1.200 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.26168E-02 ppm1      4.120 ppm2      8.025 CV     1
 ASSI { 1998}
   (  segid "A   " and resid 59   and name HD1%)
   (( segid "A   " and resid 59   and name HN  ))
      4.000     2.000     2.000 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.18549E-02 ppm1      0.932 ppm2      7.630 CV     1
 ASSI { 1999}
   (  segid "A   " and resid 21   and name HD1%)
   (( segid "A   " and resid 21   and name HN  ))
      5.000     3.100     1.000 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.17234E-03 ppm1      0.929 ppm2      8.075 CV     1
 ASSI { 2004}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 43   and name HB2 ))
      2.500     0.800     0.800 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.10694E-01 ppm1      4.285 ppm2      4.040 CV     1
 OR { 2004}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 43   and name HB3 ))
 ASSI { 2010}
   (( segid "A   " and resid 44   and name HA  ))
   (( segid "A   " and resid 44   and name HD3 ))
      3.600     1.700     1.700 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.18367E-02 ppm1      4.120 ppm2      3.158 CV     1
 OR { 2010}
   (( segid "A   " and resid 44   and name HA  ))
   (( segid "A   " and resid 44   and name HD2 ))
 ASSI { 2029}
   (( segid "A   " and resid 10   and name HB3 ))
   (( segid "A   " and resid 10   and name HG  ))
      2.600     0.900     0.900 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.58277E-02 ppm1      1.748 ppm2      1.542 CV     1
 OR { 2029}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 10   and name HG  ))
 ASSI { 2034}
   (( segid "A   " and resid 46   and name HA2 ))
   (( segid "A   " and resid 46   and name HA1 ))
      2.400     0.700     0.700 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.47303E-02 ppm1      3.990 ppm2      3.762 CV     1
 ASSI { 2035}
   (( segid "A   " and resid 47   and name HA2 ))
   (( segid "A   " and resid 47   and name HA1 ))
      2.300     0.600     0.600 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.70705E-02 ppm1      4.081 ppm2      3.936 CV     1
 ASSI { 2042}
   (( segid "A   " and resid 49   and name HB3 ))
   (( segid "A   " and resid 49   and name HD2 ))
      3.100     1.200     1.200 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.26848E-02 ppm1      1.925 ppm2      3.290 CV     1
 OR { 2042}
   (( segid "A   " and resid 49   and name HB2 ))
   (( segid "A   " and resid 49   and name HD2 ))
 OR { 2042}
   (( segid "A   " and resid 49   and name HB3 ))
   (( segid "A   " and resid 49   and name HD3 ))
 OR { 2042}
   (( segid "A   " and resid 49   and name HB2 ))
   (( segid "A   " and resid 49   and name HD3 ))
 ASSI { 2045}
   (( segid "A   " and resid 49   and name HB2 ))
   (( segid "A   " and resid 49   and name HG3 ))
      3.000     1.100     1.100 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.22812E-02 ppm1      1.996 ppm2      1.637 CV     1
 OR { 2045}
   (( segid "A   " and resid 49   and name HB3 ))
   (( segid "A   " and resid 49   and name HG2 ))
 OR { 2045}
   (( segid "A   " and resid 49   and name HB2 ))
   (( segid "A   " and resid 49   and name HG2 ))
 OR { 2045}
   (( segid "A   " and resid 49   and name HB3 ))
   (( segid "A   " and resid 49   and name HG3 ))
 ASSI { 2056}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 64   and name HG3 ))
      2.500     0.800     0.800 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.94966E-02 ppm1      2.184 ppm2      2.393 CV     1
 OR { 2056}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 64   and name HG2 ))
 OR { 2056}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "A   " and resid 64   and name HG3 ))
 OR { 2056}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "A   " and resid 64   and name HG2 ))
 ASSI { 2066}
   (( segid "A   " and resid 51   and name HG2 ))
   (( segid "A   " and resid 51   and name HN  ))
      4.300     2.300     1.700 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.12880E-02 ppm1      2.431 ppm2      8.244 CV     1
 OR { 2066}
   (( segid "A   " and resid 51   and name HG3 ))
   (( segid "A   " and resid 51   and name HN  ))
 ASSI { 2069}
   (( segid "A   " and resid 51   and name HG2 ))
   (( segid "A   " and resid 51   and name HB3 ))
      3.000     1.100     1.100 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.31792E-02 ppm1      2.430 ppm2      2.023 CV     1
 OR { 2069}
   (( segid "A   " and resid 51   and name HG3 ))
   (( segid "A   " and resid 51   and name HB3 ))
 OR { 2069}
   (( segid "A   " and resid 51   and name HG2 ))
   (( segid "A   " and resid 51   and name HB2 ))
 OR { 2069}
   (( segid "A   " and resid 51   and name HG3 ))
   (( segid "A   " and resid 51   and name HB2 ))
 ASSI { 2082}
   (( segid "A   " and resid 53   and name HB  ))
   (  segid "A   " and resid 53   and name HG2%)
      2.600     0.900     0.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.54287E-02 ppm1      1.875 ppm2      0.899 CV     1
 ASSI { 2085}
   (( segid "A   " and resid 53   and name HG12))
   (( segid "A   " and resid 53   and name HA  ))
      3.300     1.400     1.400 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.13878E-02 ppm1      1.885 ppm2      3.504 CV     1
 ASSI { 2090}
   (( segid "A   " and resid 54   and name HA  ))
   (  segid "A   " and resid 54   and name HB% )
      2.300     0.600     0.600 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.15905E-01 ppm1      4.059 ppm2      1.466 CV     1
 ASSI { 2096}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 56   and name HN  ))
      3.000     1.100     1.100 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.32835E-02 ppm1      4.025 ppm2      8.662 CV     1
 ASSI { 2114}
   (  segid "A   " and resid 59   and name HD1%)
   (( segid "A   " and resid 59   and name HA  ))
      3.600     1.600     1.600 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.33833E-02 ppm1      0.931 ppm2      4.042 CV     1
 ASSI { 2117}
   (( segid "A   " and resid 60   and name HB2 ))
   (( segid "A   " and resid 60   and name HN  ))
      3.700     1.700     1.700 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.80727E-03 ppm1      1.988 ppm2      7.545 CV     1
 OR { 2117}
   (( segid "A   " and resid 60   and name HB3 ))
   (( segid "A   " and resid 60   and name HN  ))
 ASSI { 2119}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 74   and name HD2 ))
      5.000     3.200     1.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.43992E-03 ppm1      4.390 ppm2      3.232 CV     1
 OR { 2119}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 74   and name HD3 ))
 ASSI { 2121}
   (( segid "A   " and resid 71   and name HB2 ))
   (( segid "A   " and resid 71   and name HD2 ))
      4.400     2.400     1.600 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.91155E-03 ppm1      2.283 ppm2      3.725 CV     1
 OR { 2121}
   (( segid "A   " and resid 71   and name HB3 ))
   (( segid "A   " and resid 71   and name HD2 ))
 OR { 2121}
   (( segid "A   " and resid 71   and name HB3 ))
   (( segid "A   " and resid 71   and name HD3 ))
 OR { 2121}
   (( segid "A   " and resid 71   and name HB2 ))
   (( segid "A   " and resid 71   and name HD3 ))
 ASSI { 2122}
   (( segid "A   " and resid 68   and name HB2 ))
   (( segid "A   " and resid 68   and name HA  ))
      2.800     1.000     1.000 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.48028E-02 ppm1      1.618 ppm2      4.395 CV     1
 OR { 2122}
   (( segid "A   " and resid 68   and name HB3 ))
   (( segid "A   " and resid 68   and name HA  ))
 ASSI { 2123}
   (( segid "A   " and resid 69   and name HB3 ))
   (( segid "A   " and resid 69   and name HN  ))
      3.600     1.600     1.600 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.12018E-02 ppm1      1.542 ppm2      8.166 CV     1
 OR { 2123}
   (( segid "A   " and resid 69   and name HB2 ))
   (( segid "A   " and resid 69   and name HN  ))
 ASSI { 2124}
   (( segid "A   " and resid 71   and name HA  ))
   (( segid "A   " and resid 71   and name HD3 ))
      4.400     2.400     1.600 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.57144E-03 ppm1      4.482 ppm2      3.598 CV     1
 ASSI { 2126}
   (( segid "A   " and resid 71   and name HA  ))
   (( segid "A   " and resid 71   and name HB3 ))
      2.600     0.800     0.800 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.71612E-02 ppm1      4.476 ppm2      2.295 CV     1
 OR { 2126}
   (( segid "A   " and resid 71   and name HA  ))
   (( segid "A   " and resid 71   and name HB2 ))
 ASSI { 2138}
   (  segid "A   " and resid 73   and name HB% )
   (( segid "A   " and resid 73   and name HN  ))
      3.800     1.800     1.800 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.10522E-02 ppm1      1.414 ppm2      8.338 CV     1
 ASSI { 2139}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 74   and name HB2 ))
      3.100     1.200     1.200 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.25080E-02 ppm1      4.386 ppm2      1.761 CV     1
 OR { 2139}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 74   and name HB3 ))
 ASSI { 2140}
   (( segid "A   " and resid 74   and name HB3 ))
   (( segid "A   " and resid 74   and name HD2 ))
      3.900     1.900     1.900 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.87081E-03 ppm1      1.783 ppm2      3.210 CV     1
 OR { 2140}
   (( segid "A   " and resid 74   and name HB2 ))
   (( segid "A   " and resid 74   and name HD2 ))
 OR { 2140}
   (( segid "A   " and resid 74   and name HB2 ))
   (( segid "A   " and resid 74   and name HD3 ))
 OR { 2140}
   (( segid "A   " and resid 74   and name HB3 ))
   (( segid "A   " and resid 74   and name HD3 ))
 ASSI {   23}
   (  segid "A   " and resid 30   and name HD% )
   (( segid "A   " and resid 29   and name HA  ))
      2.800     2.800     3.200 peak    23 spectrum    1 weight  0.10000E+01 volume  0.19048E-02 ppm1      6.744 ppm2      4.378 CV     1
 ASSI {   74}
   (( segid "A   " and resid 22   and name HE3 ))
   (( segid "A   " and resid 21   and name HA  ))
      2.900     1.100     1.100 peak    74 spectrum    1 weight  0.10000E+01 volume  0.30431E-02 ppm1      7.089 ppm2      5.586 CV     1
 ASSI {   77}
   (( segid "A   " and resid 22   and name HE3 ))
   (( segid "A   " and resid 21   and name HN  ))
      3.800     1.800     1.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.71204E-03 ppm1      7.088 ppm2      8.068 CV     1
 ASSI {   87}
   (( segid "A   " and resid 22   and name HE3 ))
   (( segid "A   " and resid 21   and name HB3 ))
      4.300     2.300     1.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.10976E-02 ppm1      7.088 ppm2      1.549 CV     1
 OR {   87}
   (( segid "A   " and resid 22   and name HE3 ))
   (( segid "A   " and resid 21   and name HB2 ))
 ASSI {  100}
   (( segid "A   " and resid 22   and name HZ3 ))
   (( segid "A   " and resid 21   and name HA  ))
      3.800     1.800     1.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.81635E-03 ppm1      6.742 ppm2      5.592 CV     1
 ASSI {  138}
   (( segid "A   " and resid 50   and name HE1 ))
   (( segid "A   " and resid 49   and name HG2 ))
      4.500     2.600     1.500 peak   138 spectrum    1 weight  0.10000E+01 volume  0.67575E-03 ppm1      7.218 ppm2      1.577 CV     1
 ASSI {  141}
   (( segid "A   " and resid 13   and name HD2 ))
   (  segid "A   " and resid 12   and name HB% )
      3.300     3.300     2.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.68935E-03 ppm1      7.832 ppm2      1.534 CV     1
 ASSI {  169}
   (( segid "A   " and resid 20   and name HA  ))
   (( segid "A   " and resid 19   and name HB  ))
      3.100     3.100     2.900 peak   169 spectrum    1 weight  0.10000E+01 volume  0.28799E-02 ppm1      5.075 ppm2      1.931 CV     1
 ASSI {  176}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 47   and name HA2 ))
      3.400     1.500     1.500 peak   176 spectrum    1 weight  0.10000E+01 volume  0.20227E-02 ppm1      4.945 ppm2      4.062 CV     1
 ASSI {  187}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 21   and name HA  ))
      4.300     2.300     1.700 peak   187 spectrum    1 weight  0.10000E+01 volume  0.94331E-03 ppm1      4.898 ppm2      5.585 CV     1
 ASSI {  193}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 31   and name HB3 ))
      2.500     2.500     3.500 peak   193 spectrum    1 weight  0.10000E+01 volume  0.71204E-02 ppm1      5.218 ppm2      2.239 CV     1
 ASSI {  213}
   (( segid "A   " and resid 33   and name HA  ))
   (  segid "A   " and resid 32   and name HB% )
      3.900     1.900     1.900 peak   213 spectrum    1 weight  0.10000E+01 volume  0.96601E-03 ppm1      4.884 ppm2      1.486 CV     1
 ASSI {  229}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 49   and name HG3 ))
      3.500     1.500     1.500 peak   229 spectrum    1 weight  0.10000E+01 volume  0.22495E-02 ppm1      4.317 ppm2      1.581 CV     1
 OR {  229}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 49   and name HG2 ))
 ASSI {  259}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 8    and name HA2 ))
      3.400     1.500     1.500 peak   259 spectrum    1 weight  0.10000E+01 volume  0.20908E-02 ppm1      4.216 ppm2      3.802 CV     1
 ASSI {  260}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 8    and name HA1 ))
      3.800     1.800     1.800 peak   260 spectrum    1 weight  0.10000E+01 volume  0.14694E-02 ppm1      4.216 ppm2      3.556 CV     1
 ASSI {  289}
   (( segid "A   " and resid 21   and name HG  ))
   (( segid "A   " and resid 20   and name HN  ))
      3.500     1.500     1.500 peak   289 spectrum    1 weight  0.10000E+01 volume  0.14740E-02 ppm1      1.690 ppm2      8.916 CV     1
 ASSI {  331}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 28   and name HA  ))
      4.500     2.500     1.500 peak   331 spectrum    1 weight  0.10000E+01 volume  0.10976E-02 ppm1      1.099 ppm2      4.505 CV     1
 OR {  331}
   (( segid "A   " and resid 29   and name HG3 ))
   (( segid "A   " and resid 28   and name HA  ))
 ASSI {  376}
   (  segid "A   " and resid 45   and name HD1%)
   (( segid "A   " and resid 44   and name HN  ))
      3.700     1.800     1.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.34468E-03 ppm1      0.401 ppm2      8.033 CV     1
 ASSI {  402}
   (  segid "A   " and resid 17   and name HD1%)
   (( segid "A   " and resid 16   and name HB3 ))
      4.200     2.200     1.800 peak   402 spectrum    1 weight  0.10000E+01 volume  0.94789E-03 ppm1      0.630 ppm2      4.114 CV     1
 ASSI {  415}
   (  segid "A   " and resid 17   and name HD1%)
   (( segid "A   " and resid 16   and name HN  ))
      5.200     3.300     0.800 peak   415 spectrum    1 weight  0.10000E+01 volume  0.44899E-03 ppm1      0.629 ppm2      8.156 CV     1
 ASSI {  418}
   (  segid "A   " and resid 17   and name HD2%)
   (( segid "A   " and resid 16   and name HB3 ))
      3.900     1.900     1.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.68482E-03 ppm1      0.803 ppm2      4.109 CV     1
 ASSI {  424}
   (  segid "A   " and resid 17   and name HD2%)
   (( segid "A   " and resid 16   and name HN  ))
      3.400     3.400     2.600 peak   424 spectrum    1 weight  0.10000E+01 volume  0.56690E-03 ppm1      0.805 ppm2      8.163 CV     1
 ASSI {  441}
   (( segid "A   " and resid 33   and name HD2 ))
   (( segid "A   " and resid 32   and name HA  ))
      2.700     0.900     0.900 peak   441 spectrum    1 weight  0.10000E+01 volume  0.77553E-02 ppm1      3.247 ppm2      5.218 CV     1
 ASSI {  458}
   (( segid "A   " and resid 33   and name HD2 ))
   (  segid "A   " and resid 32   and name HB% )
      2.700     0.900     0.900 peak   458 spectrum    1 weight  0.10000E+01 volume  0.60772E-02 ppm1      3.248 ppm2      1.491 CV     1
 ASSI {  471}
   (( segid "A   " and resid 33   and name HB2 ))
   (  segid "A   " and resid 32   and name HB% )
      5.100     3.200     0.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.52155E-03 ppm1      2.635 ppm2      1.488 CV     1
 OR {  471}
   (( segid "A   " and resid 33   and name HB3 ))
   (  segid "A   " and resid 32   and name HB% )
 ASSI {  479}
   (( segid "A   " and resid 33   and name HG2 ))
   (  segid "A   " and resid 32   and name HB% )
      4.700     2.800     1.300 peak   479 spectrum    1 weight  0.10000E+01 volume  0.14104E-02 ppm1      2.295 ppm2      1.489 CV     1
 OR {  479}
   (( segid "A   " and resid 33   and name HG3 ))
   (  segid "A   " and resid 32   and name HB% )
 ASSI {  487}
   (( segid "A   " and resid 34   and name HG3 ))
   (( segid "A   " and resid 33   and name HA  ))
      4.200     2.200     1.800 peak   487 spectrum    1 weight  0.10000E+01 volume  0.32744E-02 ppm1      2.211 ppm2      4.884 CV     1
 OR {  487}
   (( segid "A   " and resid 34   and name HG2 ))
   (( segid "A   " and resid 33   and name HA  ))
 ASSI {  491}
   (( segid "A   " and resid 33   and name HG3 ))
   (( segid "A   " and resid 32   and name HA  ))
      4.600     2.600     1.400 peak   491 spectrum    1 weight  0.10000E+01 volume  0.17098E-02 ppm1      2.165 ppm2      5.218 CV     1
 OR {  491}
   (( segid "A   " and resid 33   and name HG2 ))
   (( segid "A   " and resid 32   and name HA  ))
 ASSI {  496}
   (  segid "A   " and resid 32   and name HB% )
   (( segid "A   " and resid 31   and name HG3 ))
      3.400     1.500     1.500 peak   496 spectrum    1 weight  0.10000E+01 volume  0.21179E-02 ppm1      1.489 ppm2      2.525 CV     1
 ASSI {  503}
   (  segid "A   " and resid 32   and name HB% )
   (( segid "A   " and resid 31   and name HA  ))
      3.700     1.800     1.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.23175E-02 ppm1      1.490 ppm2      4.695 CV     1
 ASSI {  509}
   (( segid "A   " and resid 34   and name HD2 ))
   (( segid "A   " and resid 33   and name HB3 ))
      2.700     0.900     0.900 peak   509 spectrum    1 weight  0.10000E+01 volume  0.36191E-02 ppm1      3.946 ppm2      2.637 CV     1
 OR {  509}
   (( segid "A   " and resid 34   and name HD2 ))
   (( segid "A   " and resid 33   and name HB2 ))
 ASSI {  513}
   (( segid "A   " and resid 34   and name HD3 ))
   (( segid "A   " and resid 33   and name HA  ))
      2.300     0.700     0.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.97101E-02 ppm1      3.697 ppm2      4.885 CV     1
 ASSI {  514}
   (( segid "A   " and resid 34   and name HD2 ))
   (( segid "A   " and resid 33   and name HA  ))
      2.200     0.600     0.600 peak   514 spectrum    1 weight  0.10000E+01 volume  0.22281E-01 ppm1      3.944 ppm2      4.885 CV     1
 ASSI {  552}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 37   and name HB3 ))
      2.600     2.600     3.400 peak   552 spectrum    1 weight  0.10000E+01 volume  0.42767E-02 ppm1      4.790 ppm2      1.659 CV     1
 ASSI {  561}
   (( segid "A   " and resid 39   and name HG3 ))
   (( segid "A   " and resid 38   and name HA  ))
      4.400     2.400     1.600 peak   561 spectrum    1 weight  0.10000E+01 volume  0.24082E-02 ppm1      2.258 ppm2      4.752 CV     1
 OR {  561}
   (( segid "A   " and resid 39   and name HG2 ))
   (( segid "A   " and resid 38   and name HA  ))
 ASSI {  562}
   (( segid "A   " and resid 39   and name HG2 ))
   (( segid "A   " and resid 38   and name HB  ))
      4.300     2.300     1.700 peak   562 spectrum    1 weight  0.10000E+01 volume  0.24400E-02 ppm1      2.054 ppm2      4.748 CV     1
 OR {  562}
   (( segid "A   " and resid 39   and name HG3 ))
   (( segid "A   " and resid 38   and name HB  ))
 ASSI {  569}
   (( segid "A   " and resid 39   and name HB2 ))
   (( segid "A   " and resid 38   and name HB  ))
      4.500     2.500     1.500 peak   569 spectrum    1 weight  0.10000E+01 volume  0.99777E-03 ppm1      2.418 ppm2      4.755 CV     1
 OR {  569}
   (( segid "A   " and resid 39   and name HB3 ))
   (( segid "A   " and resid 38   and name HB  ))
 ASSI {  570}
   (( segid "A   " and resid 39   and name HD3 ))
   (( segid "A   " and resid 38   and name HN  ))
      4.700     2.800     1.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.86623E-03 ppm1      3.941 ppm2      7.322 CV     1
 OR {  570}
   (( segid "A   " and resid 39   and name HD2 ))
   (( segid "A   " and resid 38   and name HN  ))
 ASSI {  571}
   (( segid "A   " and resid 39   and name HA  ))
   (  segid "A   " and resid 38   and name HG2%)
      5.100     3.300     0.900 peak   571 spectrum    1 weight  0.10000E+01 volume  0.39910E-03 ppm1      4.289 ppm2      1.377 CV     1
 ASSI {  575}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 38   and name HB  ))
      4.500     2.500     1.500 peak   575 spectrum    1 weight  0.10000E+01 volume  0.68482E-03 ppm1      4.287 ppm2      4.759 CV     1
 ASSI {  584}
   (( segid "A   " and resid 43   and name HB2 ))
   (( segid "A   " and resid 42   and name HN  ))
      4.600     2.700     1.400 peak   584 spectrum    1 weight  0.10000E+01 volume  0.85260E-03 ppm1      4.022 ppm2      8.628 CV     1
 OR {  584}
   (( segid "A   " and resid 43   and name HB3 ))
   (( segid "A   " and resid 42   and name HN  ))
 ASSI {  588}
   (( segid "A   " and resid 43   and name HB2 ))
   (( segid "A   " and resid 42   and name HG3 ))
      3.500     1.600     1.600 peak   588 spectrum    1 weight  0.10000E+01 volume  0.20908E-02 ppm1      4.023 ppm2      2.282 CV     1
 OR {  588}
   (( segid "A   " and resid 43   and name HB3 ))
   (( segid "A   " and resid 42   and name HG3 ))
 ASSI {  593}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 15   and name HN  ))
      4.800     2.800     1.200 peak   593 spectrum    1 weight  0.10000E+01 volume  0.85717E-03 ppm1      4.287 ppm2      8.644 CV     1
 ASSI {  595}
   (( segid "A   " and resid 45   and name HA  ))
   (( segid "A   " and resid 44   and name HA  ))
      3.700     1.700     1.700 peak   595 spectrum    1 weight  0.10000E+01 volume  0.12971E-02 ppm1      3.864 ppm2      4.115 CV     1
 ASSI {  607}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 51   and name HG3 ))
      3.400     1.500     1.500 peak   607 spectrum    1 weight  0.10000E+01 volume  0.83902E-03 ppm1      4.029 ppm2      2.450 CV     1
 ASSI {  622}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 52   and name HA  ))
      3.400     1.400     1.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.20182E-02 ppm1      3.501 ppm2      4.052 CV     1
 ASSI {  637}
   (( segid "A   " and resid 10   and name HA  ))
   (  segid "A   " and resid 9    and name HB% )
      2.500     2.500     3.500 peak   637 spectrum    1 weight  0.10000E+01 volume  0.14264E-01 ppm1      4.181 ppm2      1.533 CV     1
 ASSI {  707}
   (( segid "A   " and resid 52   and name HB2 ))
   (( segid "A   " and resid 51   and name HN  ))
      4.400     2.400     1.600 peak   707 spectrum    1 weight  0.10000E+01 volume  0.11656E-02 ppm1      1.994 ppm2      8.258 CV     1
 OR {  707}
   (( segid "A   " and resid 52   and name HB3 ))
   (( segid "A   " and resid 51   and name HN  ))
 ASSI {  726}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 36   and name HA  ))
      4.000     2.000     2.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.14377E-02 ppm1      1.264 ppm2      3.953 CV     1
 ASSI {  735}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 36   and name HB  ))
      3.100     1.200     1.200 peak   735 spectrum    1 weight  0.10000E+01 volume  0.38232E-02 ppm1      1.264 ppm2      1.983 CV     1
 ASSI {  738}
   (( segid "A   " and resid 42   and name HA  ))
   (  segid "A   " and resid 41   and name HD2%)
      2.600     0.800     0.800 peak   738 spectrum    1 weight  0.10000E+01 volume  0.68845E-02 ppm1      3.633 ppm2      0.886 CV     1
 ASSI {  744}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 41   and name HG  ))
      3.600     1.700     1.700 peak   744 spectrum    1 weight  0.10000E+01 volume  0.15782E-02 ppm1      3.633 ppm2      1.495 CV     1
 ASSI {  749}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 41   and name HN  ))
      5.000     3.100     1.000 peak   749 spectrum    1 weight  0.10000E+01 volume  0.50795E-03 ppm1      3.634 ppm2      7.835 CV     1
 ASSI {  761}
   (( segid "A   " and resid 42   and name HB2 ))
   (  segid "A   " and resid 41   and name HD2%)
      3.300     1.400     1.400 peak   761 spectrum    1 weight  0.10000E+01 volume  0.35103E-02 ppm1      2.074 ppm2      0.881 CV     1
 OR {  761}
   (( segid "A   " and resid 42   and name HB3 ))
   (  segid "A   " and resid 41   and name HD2%)
 ASSI {  766}
   (( segid "A   " and resid 42   and name HG2 ))
   (( segid "A   " and resid 41   and name HB2 ))
      3.700     3.700     2.300 peak   766 spectrum    1 weight  0.10000E+01 volume  0.10703E-02 ppm1      2.213 ppm2      1.631 CV     1
 OR {  766}
   (( segid "A   " and resid 42   and name HG3 ))
   (( segid "A   " and resid 41   and name HB3 ))
 ASSI {  791}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 13   and name HN  ))
      5.100     3.300     0.900 peak   791 spectrum    1 weight  0.10000E+01 volume  0.43992E-03 ppm1      3.752 ppm2      8.370 CV     1
 ASSI {  800}
   (  segid "A   " and resid 14   and name HB% )
   (( segid "A   " and resid 13   and name HN  ))
      4.100     2.100     1.900 peak   800 spectrum    1 weight  0.10000E+01 volume  0.18459E-02 ppm1      1.408 ppm2      8.355 CV     1
 ASSI {  802}
   (  segid "A   " and resid 14   and name HB% )
   (( segid "A   " and resid 13   and name HD2 ))
      2.700     2.700     3.300 peak   802 spectrum    1 weight  0.10000E+01 volume  0.25579E-02 ppm1      1.408 ppm2      7.852 CV     1
 ASSI {  807}
   (  segid "A   " and resid 14   and name HB% )
   (( segid "A   " and resid 13   and name HB2 ))
      3.800     1.800     1.800 peak   807 spectrum    1 weight  0.10000E+01 volume  0.22314E-02 ppm1      1.408 ppm2      3.308 CV     1
 ASSI {  818}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 29   and name HB3 ))
      4.000     2.000     2.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.31747E-03 ppm1      5.851 ppm2      0.252 CV     1
 OR {  818}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 29   and name HB2 ))
 ASSI {  819}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 30   and name HA  ))
      4.000     2.000     2.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.14241E-02 ppm1      2.273 ppm2      5.855 CV     1
 OR {  819}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 30   and name HA  ))
 ASSI {  824}
   (  segid "A   " and resid 23   and name HG2%)
   (( segid "A   " and resid 22   and name HD1 ))
      4.300     2.400     1.700 peak   824 spectrum    1 weight  0.10000E+01 volume  0.81635E-03 ppm1      0.859 ppm2      6.974 CV     1
 ASSI {  860}
   (( segid "A   " and resid 55   and name HA  ))
   (( segid "A   " and resid 54   and name HN  ))
      5.300     3.500     0.700 peak   860 spectrum    1 weight  0.10000E+01 volume  0.34921E-03 ppm1      4.143 ppm2      7.349 CV     1
 ASSI {  884}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "A   " and resid 14   and name HA  ))
      4.000     2.000     2.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.84811E-03 ppm1      4.478 ppm2      3.732 CV     1
 ASSI {  915}
   (( segid "A   " and resid 13   and name HB3 ))
   (( segid "A   " and resid 12   and name HN  ))
      4.400     2.400     1.600 peak   915 spectrum    1 weight  0.10000E+01 volume  0.15239E-02 ppm1      3.333 ppm2      7.921 CV     1
 OR {  915}
   (( segid "A   " and resid 13   and name HB2 ))
   (( segid "A   " and resid 12   and name HN  ))
 ASSI {  924}
   (( segid "A   " and resid 13   and name HB3 ))
   (  segid "A   " and resid 12   and name HB% )
      3.300     1.400     1.400 peak   924 spectrum    1 weight  0.10000E+01 volume  0.43040E-02 ppm1      3.270 ppm2      1.522 CV     1
 ASSI {  935}
   (( segid "A   " and resid 13   and name HA  ))
   (  segid "A   " and resid 12   and name HB% )
      3.200     1.300     1.300 peak   935 spectrum    1 weight  0.10000E+01 volume  0.39049E-02 ppm1      4.426 ppm2      1.530 CV     1
 ASSI {  942}
   (( segid "A   " and resid 16   and name HB2 ))
   (( segid "A   " and resid 15   and name HN  ))
      4.600     2.700     1.400 peak   942 spectrum    1 weight  0.10000E+01 volume  0.96601E-03 ppm1      4.116 ppm2      8.655 CV     1
 OR {  942}
   (( segid "A   " and resid 16   and name HB3 ))
   (( segid "A   " and resid 15   and name HN  ))
 ASSI {  943}
   (( segid "A   " and resid 16   and name HB2 ))
   (  segid "A   " and resid 15   and name HB% )
      3.000     1.200     1.200 peak   943 spectrum    1 weight  0.10000E+01 volume  0.88343E-02 ppm1      4.114 ppm2      1.544 CV     1
 OR {  943}
   (( segid "A   " and resid 16   and name HB3 ))
   (  segid "A   " and resid 15   and name HB% )
 ASSI {  945}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 13   and name HB2 ))
      4.200     2.200     1.800 peak   945 spectrum    1 weight  0.10000E+01 volume  0.65308E-03 ppm1      3.745 ppm2      3.284 CV     1
 ASSI {  964}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 40   and name HG2 ))
      3.600     1.600     1.600 peak   964 spectrum    1 weight  0.10000E+01 volume  0.11928E-02 ppm1      4.103 ppm2      2.301 CV     1
 OR {  964}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 40   and name HG3 ))
 ASSI {  986}
   (( segid "A   " and resid 53   and name HB  ))
   (( segid "A   " and resid 52   and name HB2 ))
      4.600     2.600     1.400 peak   986 spectrum    1 weight  0.10000E+01 volume  0.89342E-03 ppm1      1.866 ppm2      1.269 CV     1
 OR {  986}
   (( segid "A   " and resid 53   and name HB  ))
   (( segid "A   " and resid 52   and name HB3 ))
 ASSI {  991}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 50   and name HB2 ))
      3.700     1.700     1.700 peak   991 spectrum    1 weight  0.10000E+01 volume  0.12653E-02 ppm1      4.146 ppm2      3.176 CV     1
 ASSI { 1011}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 57   and name HA  ))
      4.400     2.400     1.600 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.95238E-03 ppm1      2.564 ppm2      4.126 CV     1
 OR { 1011}
   (( segid "A   " and resid 58   and name HB2 ))
   (( segid "A   " and resid 57   and name HA  ))
 ASSI { 1027}
   (( segid "A   " and resid 70   and name HA  ))
   (  segid "A   " and resid 69   and name HD1%)
      3.500     1.500     1.500 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.51248E-03 ppm1      4.604 ppm2      0.879 CV     1
 ASSI { 1036}
   (( segid "A   " and resid 17   and name HG  ))
   (( segid "A   " and resid 16   and name HN  ))
      4.500     2.500     1.500 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.62133E-03 ppm1      1.536 ppm2      8.155 CV     1
 ASSI { 1041}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 18   and name HA2 ))
      4.300     2.300     1.700 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.48074E-03 ppm1      4.249 ppm2      3.731 CV     1
 ASSI { 1065}
   (  segid "A   " and resid 23   and name HG2%)
   (( segid "A   " and resid 22   and name HB2 ))
      2.800     2.800     3.200 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.19274E-02 ppm1      0.858 ppm2      3.501 CV     1
 OR { 1065}
   (  segid "A   " and resid 23   and name HG2%)
   (( segid "A   " and resid 22   and name HB3 ))
 ASSI { 1072}
   (( segid "A   " and resid 25   and name HA1 ))
   (( segid "A   " and resid 24   and name HA  ))
      4.700     2.800     1.300 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.15556E-02 ppm1      4.011 ppm2      4.703 CV     1
 ASSI { 1074}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 20   and name HA  ))
      5.400     3.600     0.600 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.23583E-03 ppm1      5.591 ppm2      5.086 CV     1
 ASSI { 1084}
   (( segid "A   " and resid 21   and name HB2 ))
   (( segid "A   " and resid 20   and name HA  ))
      4.900     3.000     1.100 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.56237E-03 ppm1      1.595 ppm2      5.036 CV     1
 OR { 1084}
   (( segid "A   " and resid 21   and name HB3 ))
   (( segid "A   " and resid 20   and name HA  ))
 ASSI { 1091}
   (( segid "A   " and resid 21   and name HG  ))
   (( segid "A   " and resid 20   and name HA  ))
      4.300     2.400     1.700 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.73471E-03 ppm1      1.696 ppm2      5.060 CV     1
 ASSI { 1137}
   (( segid "A   " and resid 23   and name HB  ))
   (( segid "A   " and resid 22   and name HA  ))
      4.300     2.300     1.700 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.12653E-02 ppm1      1.931 ppm2      4.907 CV     1
 ASSI { 1154}
   (( segid "A   " and resid 24   and name HG3 ))
   (  segid "A   " and resid 23   and name HG1%)
      2.800     2.800     3.200 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.21497E-02 ppm1      2.262 ppm2      0.915 CV     1
 OR { 1154}
   (( segid "A   " and resid 24   and name HG2 ))
   (  segid "A   " and resid 23   and name HG1%)
 ASSI { 1164}
   (( segid "A   " and resid 25   and name HA1 ))
   (( segid "A   " and resid 24   and name HG3 ))
      3.800     1.800     1.800 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.22676E-02 ppm1      4.007 ppm2      2.281 CV     1
 OR { 1164}
   (( segid "A   " and resid 25   and name HA1 ))
   (( segid "A   " and resid 24   and name HG2 ))
 ASSI { 1165}
   (( segid "A   " and resid 25   and name HA2 ))
   (( segid "A   " and resid 24   and name HG3 ))
      3.600     1.600     1.600 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.13334E-02 ppm1      3.734 ppm2      2.278 CV     1
 OR { 1165}
   (( segid "A   " and resid 25   and name HA2 ))
   (( segid "A   " and resid 24   and name HG2 ))
 ASSI { 1179}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 26   and name HG3 ))
      4.000     2.000     2.000 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.69389E-03 ppm1      4.573 ppm2      2.300 CV     1
 OR { 1179}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 26   and name HG2 ))
 ASSI { 1231}
   (( segid "A   " and resid 53   and name HG13))
   (( segid "A   " and resid 52   and name HA  ))
      4.900     2.900     1.100 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.45806E-03 ppm1      0.803 ppm2      4.053 CV     1
 ASSI { 1263}
   (( segid "A   " and resid 57   and name HG3 ))
   (( segid "A   " and resid 56   and name HN  ))
      4.700     2.800     1.300 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.11610E-02 ppm1      1.980 ppm2      8.663 CV     1
 OR { 1263}
   (( segid "A   " and resid 57   and name HG2 ))
   (( segid "A   " and resid 56   and name HN  ))
 ASSI { 1285}
   (( segid "A   " and resid 72   and name HB  ))
   (( segid "A   " and resid 71   and name HA  ))
      4.500     2.500     1.500 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.51248E-03 ppm1      2.074 ppm2      4.447 CV     1
 ASSI { 1292}
   (( segid "A   " and resid 37   and name HG2 ))
   (  segid "A   " and resid 36   and name HG2%)
      3.800     1.800     1.800 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.27937E-02 ppm1      2.515 ppm2      0.893 CV     1
 OR { 1292}
   (( segid "A   " and resid 37   and name HG3 ))
   (  segid "A   " and resid 36   and name HG2%)
 ASSI { 1312}
   (( segid "A   " and resid 58   and name HG2 ))
   (( segid "A   " and resid 57   and name HN  ))
      4.800     2.900     1.200 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.40817E-03 ppm1      2.515 ppm2      8.324 CV     1
 OR { 1312}
   (( segid "A   " and resid 58   and name HG3 ))
   (( segid "A   " and resid 57   and name HN  ))
 ASSI { 1316}
   (( segid "A   " and resid 58   and name HG2 ))
   (( segid "A   " and resid 57   and name HA  ))
      3.700     1.700     1.700 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.18640E-02 ppm1      2.675 ppm2      4.127 CV     1
 OR { 1316}
   (( segid "A   " and resid 58   and name HG3 ))
   (( segid "A   " and resid 57   and name HA  ))
 ASSI { 1318}
   (( segid "A   " and resid 58   and name HG2 ))
   (( segid "A   " and resid 57   and name HB3 ))
      2.700     2.700     3.300 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.24535E-02 ppm1      2.677 ppm2      1.953 CV     1
 OR { 1318}
   (( segid "A   " and resid 58   and name HG2 ))
   (( segid "A   " and resid 57   and name HB2 ))
 ASSI { 1337}
   (( segid "A   " and resid 20   and name HB2 ))
   (( segid "A   " and resid 19   and name HA  ))
      4.500     2.500     1.500 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.12472E-02 ppm1      2.115 ppm2      4.271 CV     1
 OR { 1337}
   (( segid "A   " and resid 20   and name HB3 ))
   (( segid "A   " and resid 19   and name HA  ))
 ASSI { 1348}
   (( segid "A   " and resid 2    and name HD3 ))
   (( segid "A   " and resid 1    and name HA2 ))
      2.500     0.800     0.800 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.78187E-02 ppm1      3.569 ppm2      4.006 CV     1
 OR { 1348}
   (( segid "A   " and resid 2    and name HD3 ))
   (( segid "A   " and resid 1    and name HA1 ))
 ASSI { 1377}
   (  segid "A   " and resid 72   and name HG1%)
   (( segid "A   " and resid 71   and name HA  ))
      3.500     1.500     1.500 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.23493E-02 ppm1      0.968 ppm2      4.416 CV     1
 ASSI { 1398}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 53   and name HA  ))
      4.700     2.800     1.300 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.31747E-03 ppm1      4.060 ppm2      3.535 CV     1
 ASSI { 1422}
   (( segid "A   " and resid 56   and name HG  ))
   (( segid "A   " and resid 55   and name HN  ))
      4.000     2.000     2.000 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.15148E-02 ppm1      1.860 ppm2      7.694 CV     1
 ASSI { 1441}
   (( segid "A   " and resid 18   and name HA1 ))
   (( segid "A   " and resid 17   and name HN  ))
      4.900     2.900     1.100 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.97507E-03 ppm1      4.305 ppm2      7.314 CV     1
 ASSI { 1443}
   (( segid "A   " and resid 18   and name HA2 ))
   (( segid "A   " and resid 17   and name HN  ))
      4.700     2.800     1.300 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.12608E-02 ppm1      3.710 ppm2      7.309 CV     1
 ASSI { 1458}
   (( segid "A   " and resid 31   and name HB3 ))
   (  segid "A   " and resid 30   and name HD% )
      3.200     1.300     1.300 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.75966E-02 ppm1      2.274 ppm2      6.748 CV     1
 OR { 1458}
   (( segid "A   " and resid 31   and name HB2 ))
   (  segid "A   " and resid 30   and name HD% )
 ASSI { 1470}
   (( segid "A   " and resid 31   and name HG3 ))
   (  segid "A   " and resid 30   and name HD% )
      2.800     2.800     3.200 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.17221E-01 ppm1      2.557 ppm2      6.764 CV     1
 OR { 1470}
   (( segid "A   " and resid 31   and name HG2 ))
   (  segid "A   " and resid 30   and name HD% )
 ASSI { 1505}
   (( segid "A   " and resid 71   and name HD3 ))
   (( segid "A   " and resid 70   and name HA  ))
      2.200     0.600     0.600 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.97101E-02 ppm1      3.653 ppm2      4.608 CV     1
 ASSI { 1510}
   (  segid "A   " and resid 9    and name HB% )
   (( segid "A   " and resid 8    and name HA2 ))
      4.000     2.000     2.000 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.20817E-02 ppm1      1.493 ppm2      3.820 CV     1
 ASSI { 1547}
   (( segid "A   " and resid 37   and name HB2 ))
   (  segid "A   " and resid 36   and name HG2%)
      3.400     1.500     1.500 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.19230E-02 ppm1      1.640 ppm2      0.905 CV     1
 OR { 1547}
   (( segid "A   " and resid 37   and name HB3 ))
   (  segid "A   " and resid 36   and name HG2%)
 ASSI { 1555}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 57   and name HN  ))
      4.600     2.700     1.400 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.77099E-03 ppm1      4.320 ppm2      8.330 CV     1
 ASSI { 1559}
   (( segid "A   " and resid 58   and name HA  ))
   (( segid "A   " and resid 57   and name HB3 ))
      2.600     2.600     3.400 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.53062E-02 ppm1      4.318 ppm2      1.941 CV     1
 ASSI { 1570}
   (( segid "A   " and resid 76   and name HA2 ))
   (( segid "A   " and resid 75   and name HB3 ))
      5.000     3.200     1.000 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.18141E-03 ppm1      3.861 ppm2      2.807 CV     1
 ASSI { 1575}
   (( segid "A   " and resid 46   and name HA2 ))
   (( segid "A   " and resid 45   and name HN  ))
      6.000     4.900     0.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.14059E-03 ppm1      3.984 ppm2      8.441 CV     1
 ASSI { 1632}
   (( segid "A   " and resid 35   and name HA2 ))
   (( segid "A   " and resid 34   and name HB2 ))
      4.200     2.200     1.800 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.35828E-03 ppm1      4.225 ppm2      1.976 CV     1
 ASSI { 1633}
   (( segid "A   " and resid 35   and name HA1 ))
   (( segid "A   " and resid 34   and name HB2 ))
      5.000     3.100     1.000 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.29025E-03 ppm1      3.779 ppm2      1.979 CV     1
 ASSI { 1637}
   (( segid "A   " and resid 71   and name HD2 ))
   (( segid "A   " and resid 70   and name HN  ))
      6.000     4.600     0.000 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.20862E-03 ppm1      3.750 ppm2      8.134 CV     1
 ASSI { 1638}
   (( segid "A   " and resid 71   and name HD3 ))
   (( segid "A   " and resid 70   and name HN  ))
      5.100     3.300     0.900 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.23583E-03 ppm1      3.655 ppm2      8.138 CV     1
 ASSI { 1639}
   (( segid "A   " and resid 61   and name HD3 ))
   (( segid "A   " and resid 60   and name HN  ))
      5.800     4.200     0.200 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.14967E-03 ppm1      3.569 ppm2      7.582 CV     1
 ASSI { 1640}
   (( segid "A   " and resid 61   and name HD3 ))
   (( segid "A   " and resid 60   and name HA  ))
      2.900     1.000     1.000 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.30023E-02 ppm1      3.565 ppm2      4.702 CV     1
 ASSI { 1641}
   (( segid "A   " and resid 61   and name HD3 ))
   (( segid "A   " and resid 60   and name HG2 ))
      5.100     3.300     0.900 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.52608E-03 ppm1      3.561 ppm2      2.456 CV     1
 OR { 1641}
   (( segid "A   " and resid 61   and name HD3 ))
   (( segid "A   " and resid 60   and name HG3 ))
 ASSI { 1653}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 57   and name HN  ))
      6.000     4.700     0.000 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.14513E-03 ppm1      2.370 ppm2      8.317 CV     1
 OR { 1653}
   (( segid "A   " and resid 58   and name HB2 ))
   (( segid "A   " and resid 57   and name HN  ))
 ASSI { 1667}
   (( segid "A   " and resid 60   and name HG2 ))
   (  segid "A   " and resid 59   and name HD1%)
      3.200     3.200     2.800 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.93882E-03 ppm1      2.474 ppm2      0.946 CV     1
 OR { 1667}
   (( segid "A   " and resid 60   and name HG3 ))
   (  segid "A   " and resid 59   and name HD1%)
 ASSI { 1672}
   (( segid "A   " and resid 64   and name HG2 ))
   (( segid "A   " and resid 63   and name HB3 ))
      4.100     2.100     1.900 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.19501E-03 ppm1      2.368 ppm2      3.926 CV     1
 OR { 1672}
   (( segid "A   " and resid 64   and name HG2 ))
   (( segid "A   " and resid 63   and name HB2 ))
 OR { 1672}
   (( segid "A   " and resid 64   and name HG3 ))
   (( segid "A   " and resid 63   and name HB2 ))
 ASSI { 1710}
   (( segid "A   " and resid 55   and name HB2 ))
   (( segid "A   " and resid 54   and name HN  ))
      5.700     4.100     0.300 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.25398E-03 ppm1      1.816 ppm2      7.344 CV     1
 OR { 1710}
   (( segid "A   " and resid 55   and name HB3 ))
   (( segid "A   " and resid 54   and name HN  ))
 ASSI { 1713}
   (( segid "A   " and resid 17   and name HB2 ))
   (( segid "A   " and resid 16   and name HN  ))
      6.000     5.000     0.000 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.14059E-03 ppm1      1.764 ppm2      8.151 CV     1
 OR { 1713}
   (( segid "A   " and resid 17   and name HB3 ))
   (( segid "A   " and resid 16   and name HN  ))
 ASSI { 1743}
   (( segid "A   " and resid 16   and name HA  ))
   (  segid "A   " and resid 15   and name HB% )
      3.900     1.900     1.900 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.10885E-02 ppm1      4.294 ppm2      1.549 CV     1
 ASSI { 1744}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 42   and name HB3 ))
      4.100     2.100     1.900 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.53970E-03 ppm1      4.281 ppm2      2.064 CV     1
 ASSI { 1811}
   (( segid "A   " and resid 12   and name HA  ))
   (  segid "A   " and resid 11   and name HD1%)
      2.800     1.000     1.000 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.52654E-02 ppm1      4.092 ppm2      0.885 CV     1
 ASSI { 1827}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 42   and name HG3 ))
      4.100     2.100     1.900 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.34014E-03 ppm1      4.283 ppm2      2.255 CV     1
 ASSI { 1906}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 32   and name HA  ))
      6.000     4.900     0.000 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.58958E-04 ppm1      4.888 ppm2      5.245 CV     1
 ASSI { 1916}
   (( segid "A   " and resid 34   and name HB3 ))
   (( segid "A   " and resid 33   and name HA  ))
      5.600     4.000     0.400 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.34921E-03 ppm1      1.969 ppm2      4.887 CV     1
 OR { 1916}
   (( segid "A   " and resid 34   and name HB2 ))
   (( segid "A   " and resid 33   and name HA  ))
 ASSI { 1938}
   (  segid "A   " and resid 36   and name HG1%)
   (( segid "A   " and resid 35   and name HA2 ))
      3.800     1.800     1.800 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.94331E-03 ppm1      0.988 ppm2      4.307 CV     1
 ASSI { 1939}
   (  segid "A   " and resid 36   and name HG1%)
   (( segid "A   " and resid 35   and name HA1 ))
      4.900     3.000     1.100 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.49888E-03 ppm1      0.987 ppm2      3.706 CV     1
 ASSI { 1943}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 36   and name HB  ))
      3.800     1.800     1.800 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.86166E-03 ppm1      4.635 ppm2      1.989 CV     1
 ASSI { 1962}
   (( segid "A   " and resid 39   and name HB2 ))
   (  segid "A   " and resid 38   and name HG2%)
      6.000     5.600     0.000 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.12245E-03 ppm1      2.421 ppm2      1.371 CV     1
 OR { 1962}
   (( segid "A   " and resid 39   and name HB3 ))
   (  segid "A   " and resid 38   and name HG2%)
 ASSI { 1968}
   (( segid "A   " and resid 39   and name HD2 ))
   (  segid "A   " and resid 38   and name HG2%)
      4.400     2.400     1.600 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.92976E-03 ppm1      3.928 ppm2      1.379 CV     1
 OR { 1968}
   (( segid "A   " and resid 39   and name HD3 ))
   (  segid "A   " and resid 38   and name HG2%)
 ASSI { 1995}
   (  segid "A   " and resid 21   and name HD1%)
   (( segid "A   " and resid 20   and name HD2 ))
      5.500     3.800     0.500 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.20862E-03 ppm1      0.931 ppm2      3.229 CV     1
 OR { 1995}
   (  segid "A   " and resid 21   and name HD1%)
   (( segid "A   " and resid 20   and name HD3 ))
 ASSI { 2002}
   (( segid "A   " and resid 42   and name HB2 ))
   (( segid "A   " and resid 41   and name HG  ))
      5.600     3.900     0.400 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.24037E-03 ppm1      2.071 ppm2      1.478 CV     1
 OR { 2002}
   (( segid "A   " and resid 42   and name HB3 ))
   (( segid "A   " and resid 41   and name HG  ))
 ASSI { 2009}
   (( segid "A   " and resid 43   and name HB2 ))
   (( segid "A   " and resid 42   and name HB3 ))
      3.700     1.800     1.800 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.15148E-02 ppm1      4.022 ppm2      2.068 CV     1
 OR { 2009}
   (( segid "A   " and resid 43   and name HB3 ))
   (( segid "A   " and resid 42   and name HB3 ))
 ASSI { 2024}
   (( segid "A   " and resid 45   and name HA  ))
   (( segid "A   " and resid 44   and name HN  ))
      5.600     4.000     0.400 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.24490E-03 ppm1      3.860 ppm2      8.008 CV     1
 ASSI { 2025}
   (( segid "A   " and resid 45   and name HA  ))
   (( segid "A   " and resid 44   and name HB2 ))
      3.900     1.900     1.900 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.83449E-03 ppm1      3.864 ppm2      1.938 CV     1
 OR { 2025}
   (( segid "A   " and resid 45   and name HA  ))
   (( segid "A   " and resid 44   and name HB3 ))
 ASSI { 2033}
   (( segid "A   " and resid 45   and name HG  ))
   (( segid "A   " and resid 44   and name HN  ))
      5.300     3.600     0.700 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.24490E-03 ppm1      1.768 ppm2      8.036 CV     1
 ASSI { 2050}
   (( segid "A   " and resid 50   and name HB3 ))
   (( segid "A   " and resid 49   and name HB2 ))
      4.300     2.300     1.700 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.83449E-03 ppm1      3.189 ppm2      1.942 CV     1
 OR { 2050}
   (( segid "A   " and resid 50   and name HB2 ))
   (( segid "A   " and resid 49   and name HB2 ))
 ASSI { 2052}
   (( segid "A   " and resid 51   and name HB2 ))
   (( segid "A   " and resid 50   and name HB2 ))
      6.000     5.000     0.000 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.13605E-03 ppm1      2.170 ppm2      3.213 CV     1
 OR { 2052}
   (( segid "A   " and resid 51   and name HB3 ))
   (( segid "A   " and resid 50   and name HB2 ))
 OR { 2052}
   (( segid "A   " and resid 51   and name HB2 ))
   (( segid "A   " and resid 50   and name HB3 ))
 ASSI { 2078}
   (( segid "A   " and resid 52   and name HG  ))
   (( segid "A   " and resid 51   and name HN  ))
      5.000     3.200     1.000 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.30840E-03 ppm1      1.795 ppm2      8.226 CV     1
 ASSI { 2091}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 53   and name HN  ))
      4.700     2.700     1.300 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.68482E-03 ppm1      4.061 ppm2      8.512 CV     1
 ASSI { 2095}
   (( segid "A   " and resid 55   and name HB2 ))
   (( segid "A   " and resid 54   and name HA  ))
      3.700     1.700     1.700 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.30477E-02 ppm1      1.821 ppm2      4.064 CV     1
 OR { 2095}
   (( segid "A   " and resid 55   and name HB3 ))
   (( segid "A   " and resid 54   and name HA  ))
 ASSI { 2104}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 56   and name HN  ))
      5.700     4.000     0.300 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.27212E-03 ppm1      4.102 ppm2      8.659 CV     1
 ASSI { 2135}
   (( segid "A   " and resid 72   and name HA  ))
   (( segid "A   " and resid 71   and name HB2 ))
      3.900     1.900     1.900 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.68482E-03 ppm1      4.114 ppm2      1.927 CV     1
 ASSI { 2137}
   (( segid "A   " and resid 73   and name HA  ))
   (  segid "A   " and resid 72   and name HG1%)
      4.700     2.800     1.300 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.22676E-03 ppm1      4.384 ppm2      0.947 CV     1
 ASSI {   14}
   (( segid "A   " and resid 22   and name HD1 ))
   (  segid "A   " and resid 23   and name HG1%)
      3.900     1.900     1.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.17461E-02 ppm1      6.974 ppm2      0.934 CV     1
 ASSI {   22}
   (  segid "A   " and resid 30   and name HD% )
   (( segid "A   " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.14286E-02 ppm1      6.745 ppm2      4.719 CV     1
 ASSI {   25}
   (  segid "A   " and resid 30   and name HD% )
   (( segid "A   " and resid 31   and name HN  ))
      2.900     1.100     1.100 peak    25 spectrum    1 weight  0.10000E+01 volume  0.18549E-02 ppm1      6.744 ppm2      8.967 CV     1
 ASSI {   33}
   (( segid "A   " and resid 30   and name HB2 ))
   (( segid "A   " and resid 31   and name HN  ))
      3.300     1.400     1.400 peak    33 spectrum    1 weight  0.10000E+01 volume  0.60999E-02 ppm1      2.770 ppm2      8.967 CV     1
 OR {   33}
   (( segid "A   " and resid 30   and name HB3 ))
   (( segid "A   " and resid 31   and name HN  ))
 ASSI {   36}
   (  segid "A   " and resid 53   and name HD1%)
   (( segid "A   " and resid 54   and name HN  ))
      2.800     2.800     3.200 peak    36 spectrum    1 weight  0.10000E+01 volume  0.19501E-02 ppm1      0.796 ppm2      7.350 CV     1
 ASSI {   39}
   (  segid "A   " and resid 53   and name HD1%)
   (( segid "A   " and resid 54   and name HA  ))
      3.100     3.100     2.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.11293E-02 ppm1      0.796 ppm2      4.063 CV     1
 ASSI {   46}
   (  segid "A   " and resid 53   and name HG2%)
   (  segid "A   " and resid 54   and name HB% )
      3.700     1.700     1.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.20726E-02 ppm1      0.887 ppm2      1.510 CV     1
 ASSI {   49}
   (  segid "A   " and resid 53   and name HG2%)
   (( segid "A   " and resid 54   and name HA  ))
      2.800     1.000     1.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.50296E-02 ppm1      0.885 ppm2      4.063 CV     1
 ASSI {   55}
   (  segid "A   " and resid 53   and name HG2%)
   (( segid "A   " and resid 54   and name HN  ))
      3.100     1.200     1.200 peak    55 spectrum    1 weight  0.10000E+01 volume  0.39139E-02 ppm1      0.884 ppm2      7.356 CV     1
 ASSI {   92}
   (( segid "A   " and resid 22   and name HD1 ))
   (( segid "A   " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak    92 spectrum    1 weight  0.10000E+01 volume  0.32926E-02 ppm1      6.975 ppm2      8.557 CV     1
 ASSI {  114}
   (  segid "A   " and resid 30   and name HE% )
   (( segid "A   " and resid 31   and name HB3 ))
      4.000     2.000     2.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.19274E-02 ppm1      7.220 ppm2      2.232 CV     1
 OR {  114}
   (  segid "A   " and resid 30   and name HE% )
   (( segid "A   " and resid 31   and name HB2 ))
 ASSI {  124}
   (( segid "A   " and resid 13   and name HE1 ))
   (( segid "A   " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.11157E-02 ppm1      6.587 ppm2      8.821 CV     1
 ASSI {  126}
   (( segid "A   " and resid 13   and name HE1 ))
   (( segid "A   " and resid 14   and name HA  ))
      3.600     1.600     1.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.12064E-02 ppm1      6.587 ppm2      3.749 CV     1
 ASSI {  133}
   (( segid "A   " and resid 13   and name HE1 ))
   (  segid "A   " and resid 14   and name HB% )
      3.300     1.400     1.400 peak   133 spectrum    1 weight  0.10000E+01 volume  0.21588E-02 ppm1      6.592 ppm2      1.430 CV     1
 ASSI {  136}
   (( segid "A   " and resid 50   and name HE1 ))
   (( segid "A   " and resid 51   and name HG2 ))
      4.500     2.500     1.500 peak   136 spectrum    1 weight  0.10000E+01 volume  0.87530E-03 ppm1      7.219 ppm2      2.344 CV     1
 OR {  136}
   (( segid "A   " and resid 50   and name HE1 ))
   (( segid "A   " and resid 51   and name HG3 ))
 ASSI {  148}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 31   and name HN  ))
      2.200     0.600     0.600 peak   148 spectrum    1 weight  0.10000E+01 volume  0.10885E-01 ppm1      5.851 ppm2      8.968 CV     1
 ASSI {  160}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 22   and name HN  ))
      2.200     0.600     0.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.11147E-01 ppm1      5.585 ppm2      8.597 CV     1
 ASSI {  167}
   (( segid "A   " and resid 20   and name HA  ))
   (( segid "A   " and resid 21   and name HN  ))
      2.600     0.900     0.900 peak   167 spectrum    1 weight  0.10000E+01 volume  0.50115E-02 ppm1      5.070 ppm2      8.066 CV     1
 ASSI {  174}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 49   and name HB3 ))
      4.200     2.200     1.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.20318E-02 ppm1      4.943 ppm2      1.999 CV     1
 OR {  174}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 49   and name HB2 ))
 ASSI {  177}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 49   and name HA  ))
      3.700     1.700     1.700 peak   177 spectrum    1 weight  0.10000E+01 volume  0.22631E-02 ppm1      4.944 ppm2      3.900 CV     1
 ASSI {  189}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 23   and name HN  ))
      2.100     0.600     0.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.14395E-01 ppm1      4.899 ppm2      8.554 CV     1
 ASSI {  192}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 33   and name HB2 ))
      4.800     2.900     1.200 peak   192 spectrum    1 weight  0.10000E+01 volume  0.12245E-02 ppm1      5.217 ppm2      2.573 CV     1
 OR {  192}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 33   and name HB3 ))
 ASSI {  197}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 33   and name HD3 ))
      1.900     0.500     0.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.13887E-01 ppm1      5.217 ppm2      3.990 CV     1
 ASSI {  201}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 20   and name HN  ))
      2.100     0.600     0.600 peak   201 spectrum    1 weight  0.10000E+01 volume  0.16036E-01 ppm1      4.247 ppm2      8.869 CV     1
 ASSI {  222}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 35   and name HN  ))
      3.400     1.400     1.400 peak   222 spectrum    1 weight  0.10000E+01 volume  0.99777E-03 ppm1      4.397 ppm2      8.723 CV     1
 ASSI {  226}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 51   and name HN  ))
      3.200     1.300     1.300 peak   226 spectrum    1 weight  0.10000E+01 volume  0.20363E-02 ppm1      4.317 ppm2      8.250 CV     1
 ASSI {  235}
   (( segid "A   " and resid 50   and name HB2 ))
   (( segid "A   " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.63539E-02 ppm1      3.189 ppm2      8.243 CV     1
 OR {  235}
   (( segid "A   " and resid 50   and name HB3 ))
   (( segid "A   " and resid 51   and name HN  ))
 ASSI {  236}
   (( segid "A   " and resid 50   and name HB2 ))
   (( segid "A   " and resid 51   and name HA  ))
      4.000     2.000     2.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.10204E-02 ppm1      3.189 ppm2      4.115 CV     1
 OR {  236}
   (( segid "A   " and resid 50   and name HB3 ))
   (( segid "A   " and resid 51   and name HA  ))
 ASSI {  242}
   (( segid "A   " and resid 22   and name HB2 ))
   (( segid "A   " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.67439E-02 ppm1      3.252 ppm2      8.554 CV     1
 OR {  242}
   (( segid "A   " and resid 22   and name HB3 ))
   (( segid "A   " and resid 23   and name HN  ))
 ASSI {  252}
   (( segid "A   " and resid 22   and name HB2 ))
   (( segid "A   " and resid 23   and name HB  ))
      4.400     2.500     1.600 peak   252 spectrum    1 weight  0.10000E+01 volume  0.13561E-02 ppm1      3.258 ppm2      1.914 CV     1
 OR {  252}
   (( segid "A   " and resid 22   and name HB3 ))
   (( segid "A   " and resid 23   and name HB  ))
 ASSI {  255}
   (( segid "A   " and resid 26   and name HA  ))
   (( segid "A   " and resid 27   and name HN  ))
      2.900     1.100     1.100 peak   255 spectrum    1 weight  0.10000E+01 volume  0.49208E-02 ppm1      4.236 ppm2      7.975 CV     1
 ASSI {  256}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 10   and name HN  ))
      2.000     2.000     4.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.52523E-01 ppm1      4.218 ppm2      7.923 CV     1
 ASSI {  262}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak   262 spectrum    1 weight  0.10000E+01 volume  0.30704E-02 ppm1      3.900 ppm2      7.922 CV     1
 ASSI {  272}
   (( segid "A   " and resid 45   and name HA  ))
   (( segid "A   " and resid 46   and name HN  ))
      3.300     1.300     1.300 peak   272 spectrum    1 weight  0.10000E+01 volume  0.22631E-02 ppm1      3.859 ppm2      8.198 CV     1
 ASSI {  278}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 37   and name HN  ))
      3.300     1.400     1.400 peak   278 spectrum    1 weight  0.10000E+01 volume  0.20318E-02 ppm1      3.932 ppm2      8.647 CV     1
 ASSI {  288}
   (( segid "A   " and resid 21   and name HG  ))
   (( segid "A   " and resid 22   and name HZ3 ))
      4.100     2.100     1.900 peak   288 spectrum    1 weight  0.10000E+01 volume  0.96144E-03 ppm1      1.690 ppm2      6.748 CV     1
 ASSI {  295}
   (( segid "A   " and resid 21   and name HB3 ))
   (( segid "A   " and resid 22   and name HN  ))
      3.400     1.500     1.500 peak   295 spectrum    1 weight  0.10000E+01 volume  0.19773E-02 ppm1      1.506 ppm2      8.598 CV     1
 OR {  295}
   (( segid "A   " and resid 21   and name HB2 ))
   (( segid "A   " and resid 22   and name HN  ))
 ASSI {  375}
   (  segid "A   " and resid 45   and name HD1%)
   (( segid "A   " and resid 46   and name HN  ))
      3.300     1.300     1.300 peak   375 spectrum    1 weight  0.10000E+01 volume  0.78460E-03 ppm1      0.404 ppm2      8.199 CV     1
 ASSI {  390}
   (  segid "A   " and resid 45   and name HD2%)
   (( segid "A   " and resid 46   and name HN  ))
      3.000     3.000     3.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.12291E-02 ppm1      0.622 ppm2      8.198 CV     1
 ASSI {  410}
   (  segid "A   " and resid 17   and name HD1%)
   (( segid "A   " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak   410 spectrum    1 weight  0.10000E+01 volume  0.26577E-02 ppm1      0.630 ppm2      7.843 CV     1
 ASSI {  439}
   (( segid "A   " and resid 29   and name HA  ))
   (( segid "A   " and resid 30   and name HN  ))
      3.200     1.300     1.300 peak   439 spectrum    1 weight  0.10000E+01 volume  0.14422E-02 ppm1      4.348 ppm2      7.406 CV     1
 ASSI {  440}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 34   and name HA  ))
      3.400     1.500     1.500 peak   440 spectrum    1 weight  0.10000E+01 volume  0.20952E-02 ppm1      4.886 ppm2      4.383 CV     1
 ASSI {  452}
   (( segid "A   " and resid 33   and name HD2 ))
   (( segid "A   " and resid 34   and name HD3 ))
      5.600     3.900     0.400 peak   452 spectrum    1 weight  0.10000E+01 volume  0.32200E-03 ppm1      3.248 ppm2      3.719 CV     1
 ASSI {  467}
   (( segid "A   " and resid 33   and name HB3 ))
   (( segid "A   " and resid 34   and name HD3 ))
      3.500     1.500     1.500 peak   467 spectrum    1 weight  0.10000E+01 volume  0.49888E-02 ppm1      2.633 ppm2      3.698 CV     1
 OR {  467}
   (( segid "A   " and resid 33   and name HB2 ))
   (( segid "A   " and resid 34   and name HD3 ))
 ASSI {  501}
   (  segid "A   " and resid 32   and name HB% )
   (( segid "A   " and resid 33   and name HD3 ))
      3.200     1.200     1.200 peak   501 spectrum    1 weight  0.10000E+01 volume  0.78823E-02 ppm1      1.490 ppm2      3.982 CV     1
 ASSI {  515}
   (( segid "A   " and resid 39   and name HD2 ))
   (( segid "A   " and resid 40   and name HN  ))
      3.300     1.400     1.400 peak   515 spectrum    1 weight  0.10000E+01 volume  0.17234E-02 ppm1      3.932 ppm2      8.468 CV     1
 OR {  515}
   (( segid "A   " and resid 39   and name HD3 ))
   (( segid "A   " and resid 40   and name HN  ))
 ASSI {  529}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "A   " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak   529 spectrum    1 weight  0.10000E+01 volume  0.23583E-02 ppm1      4.478 ppm2      8.159 CV     1
 ASSI {  541}
   (( segid "A   " and resid 28   and name HA  ))
   (( segid "A   " and resid 29   and name HB2 ))
      5.000     3.100     1.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.73017E-03 ppm1      4.488 ppm2     -0.464 CV     1
 OR {  541}
   (( segid "A   " and resid 28   and name HA  ))
   (( segid "A   " and resid 29   and name HB3 ))
 ASSI {  542}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 38   and name HN  ))
      2.400     0.700     0.700 peak   542 spectrum    1 weight  0.10000E+01 volume  0.97465E-02 ppm1      4.633 ppm2      7.322 CV     1
 ASSI {  549}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 39   and name HD3 ))
      2.400     0.700     0.700 peak   549 spectrum    1 weight  0.10000E+01 volume  0.86259E-02 ppm1      4.765 ppm2      3.929 CV     1
 OR {  549}
   (( segid "A   " and resid 38   and name HA  ))
   (( segid "A   " and resid 39   and name HD2 ))
 ASSI {  557}
   (  segid "A   " and resid 38   and name HG2%)
   (( segid "A   " and resid 39   and name HG2 ))
      4.900     3.100     1.100 peak   557 spectrum    1 weight  0.10000E+01 volume  0.10340E-02 ppm1      1.373 ppm2      2.264 CV     1
 OR {  557}
   (  segid "A   " and resid 38   and name HG2%)
   (( segid "A   " and resid 39   and name HG3 ))
 ASSI {  565}
   (( segid "A   " and resid 39   and name HG2 ))
   (( segid "A   " and resid 40   and name HN  ))
      4.800     2.900     1.200 peak   565 spectrum    1 weight  0.10000E+01 volume  0.59412E-03 ppm1      2.259 ppm2      8.461 CV     1
 OR {  565}
   (( segid "A   " and resid 39   and name HG3 ))
   (( segid "A   " and resid 40   and name HN  ))
 ASSI {  567}
   (( segid "A   " and resid 39   and name HB2 ))
   (( segid "A   " and resid 40   and name HN  ))
      3.500     1.500     1.500 peak   567 spectrum    1 weight  0.10000E+01 volume  0.11837E-02 ppm1      2.419 ppm2      8.468 CV     1
 OR {  567}
   (( segid "A   " and resid 39   and name HB3 ))
   (( segid "A   " and resid 40   and name HN  ))
 ASSI {  580}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 40   and name HN  ))
      3.600     1.600     1.600 peak   580 spectrum    1 weight  0.10000E+01 volume  0.12563E-02 ppm1      4.288 ppm2      8.469 CV     1
 ASSI {  583}
   (( segid "A   " and resid 43   and name HB3 ))
   (( segid "A   " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak   583 spectrum    1 weight  0.10000E+01 volume  0.71793E-02 ppm1      4.023 ppm2      8.023 CV     1
 OR {  583}
   (( segid "A   " and resid 43   and name HB2 ))
   (( segid "A   " and resid 44   and name HN  ))
 ASSI {  587}
   (( segid "A   " and resid 43   and name HB3 ))
   (( segid "A   " and resid 44   and name HD3 ))
      5.400     3.600     0.600 peak   587 spectrum    1 weight  0.10000E+01 volume  0.22223E-03 ppm1      4.028 ppm2      3.124 CV     1
 OR {  587}
   (( segid "A   " and resid 43   and name HB3 ))
   (( segid "A   " and resid 44   and name HD2 ))
 OR {  587}
   (( segid "A   " and resid 43   and name HB2 ))
   (( segid "A   " and resid 44   and name HD2 ))
 ASSI {  589}
   (( segid "A   " and resid 43   and name HB3 ))
   (( segid "A   " and resid 44   and name HB2 ))
      3.400     1.400     1.400 peak   589 spectrum    1 weight  0.10000E+01 volume  0.49434E-02 ppm1      4.023 ppm2      1.965 CV     1
 OR {  589}
   (( segid "A   " and resid 43   and name HB3 ))
   (( segid "A   " and resid 44   and name HB3 ))
 OR {  589}
   (( segid "A   " and resid 43   and name HB2 ))
   (( segid "A   " and resid 44   and name HB2 ))
 ASSI {  590}
   (( segid "A   " and resid 43   and name HB3 ))
   (( segid "A   " and resid 44   and name HG2 ))
      3.800     1.800     1.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.13334E-02 ppm1      4.022 ppm2      1.689 CV     1
 OR {  590}
   (( segid "A   " and resid 43   and name HB3 ))
   (( segid "A   " and resid 44   and name HG3 ))
 OR {  590}
   (( segid "A   " and resid 43   and name HB2 ))
   (( segid "A   " and resid 44   and name HG2 ))
 OR {  590}
   (( segid "A   " and resid 43   and name HB2 ))
   (( segid "A   " and resid 44   and name HG3 ))
 ASSI {  601}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.56645E-02 ppm1      4.941 ppm2      7.214 CV     1
 ASSI {  606}
   (( segid "A   " and resid 52   and name HA  ))
   (  segid "A   " and resid 53   and name HG2%)
      2.200     2.200     3.800 peak   606 spectrum    1 weight  0.10000E+01 volume  0.72102E-01 ppm1      4.032 ppm2      0.904 CV     1
 ASSI {  611}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 57   and name HN  ))
      3.100     1.200     1.200 peak   611 spectrum    1 weight  0.10000E+01 volume  0.27574E-02 ppm1      4.026 ppm2      8.315 CV     1
 ASSI {  613}
   (  segid "A   " and resid 10   and name HD1%)
   (( segid "A   " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   613 spectrum    1 weight  0.10000E+01 volume  0.78460E-02 ppm1      0.853 ppm2      8.349 CV     1
 ASSI {  624}
   (( segid "A   " and resid 53   and name HA  ))
   (  segid "A   " and resid 54   and name HB% )
      3.700     1.700     1.700 peak   624 spectrum    1 weight  0.10000E+01 volume  0.34876E-02 ppm1      3.501 ppm2      1.526 CV     1
 ASSI {  628}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 54   and name HN  ))
      3.400     1.500     1.500 peak   628 spectrum    1 weight  0.10000E+01 volume  0.18640E-02 ppm1      3.501 ppm2      7.354 CV     1
 ASSI {  631}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.56464E-02 ppm1      4.186 ppm2      8.349 CV     1
 ASSI {  644}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.50160E-02 ppm1      4.103 ppm2      7.640 CV     1
 ASSI {  646}
   (( segid "A   " and resid 64   and name HB2 ))
   (( segid "A   " and resid 65   and name HN  ))
      2.800     1.000     1.000 peak   646 spectrum    1 weight  0.10000E+01 volume  0.55692E-02 ppm1      2.177 ppm2      8.244 CV     1
 OR {  646}
   (( segid "A   " and resid 64   and name HB3 ))
   (( segid "A   " and resid 65   and name HN  ))
 ASSI {  659}
   (( segid "A   " and resid 64   and name HA  ))
   (( segid "A   " and resid 65   and name HN  ))
      3.200     1.300     1.300 peak   659 spectrum    1 weight  0.10000E+01 volume  0.22495E-02 ppm1      4.396 ppm2      8.321 CV     1
 ASSI {  660}
   (( segid "A   " and resid 74   and name HA  ))
   (( segid "A   " and resid 75   and name HN  ))
      3.100     1.200     1.200 peak   660 spectrum    1 weight  0.10000E+01 volume  0.29252E-02 ppm1      4.386 ppm2      8.043 CV     1
 ASSI {  661}
   (( segid "A   " and resid 67   and name HA  ))
   (( segid "A   " and resid 68   and name HN  ))
      3.000     1.100     1.100 peak   661 spectrum    1 weight  0.10000E+01 volume  0.31974E-02 ppm1      4.531 ppm2      8.337 CV     1
 ASSI {  664}
   (( segid "A   " and resid 67   and name HA  ))
   (( segid "A   " and resid 68   and name HB2 ))
      4.000     2.000     2.000 peak   664 spectrum    1 weight  0.10000E+01 volume  0.16373E-02 ppm1      4.531 ppm2      1.619 CV     1
 OR {  664}
   (( segid "A   " and resid 67   and name HA  ))
   (( segid "A   " and resid 68   and name HB3 ))
 ASSI {  666}
   (( segid "A   " and resid 67   and name HB3 ))
   (( segid "A   " and resid 68   and name HB2 ))
      4.100     2.100     1.900 peak   666 spectrum    1 weight  0.10000E+01 volume  0.12018E-02 ppm1      3.760 ppm2      1.606 CV     1
 OR {  666}
   (( segid "A   " and resid 67   and name HB2 ))
   (( segid "A   " and resid 68   and name HB2 ))
 OR {  666}
   (( segid "A   " and resid 67   and name HB3 ))
   (( segid "A   " and resid 68   and name HB3 ))
 OR {  666}
   (( segid "A   " and resid 67   and name HB2 ))
   (( segid "A   " and resid 68   and name HB3 ))
 ASSI {  668}
   (( segid "A   " and resid 67   and name HB2 ))
   (( segid "A   " and resid 68   and name HN  ))
      4.500     2.600     1.500 peak   668 spectrum    1 weight  0.10000E+01 volume  0.50795E-03 ppm1      3.763 ppm2      8.339 CV     1
 OR {  668}
   (( segid "A   " and resid 67   and name HB3 ))
   (( segid "A   " and resid 68   and name HN  ))
 ASSI {  669}
   (( segid "A   " and resid 68   and name HB3 ))
   (( segid "A   " and resid 69   and name HN  ))
      2.900     1.000     1.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.67938E-02 ppm1      1.619 ppm2      8.166 CV     1
 OR {  669}
   (( segid "A   " and resid 68   and name HB2 ))
   (( segid "A   " and resid 69   and name HN  ))
 ASSI {  671}
   (  segid "A   " and resid 7    and name HB% )
   (( segid "A   " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.53199E-02 ppm1      1.401 ppm2      8.458 CV     1
 ASSI {  674}
   (  segid "A   " and resid 70   and name HB% )
   (( segid "A   " and resid 71   and name HD3 ))
      3.100     1.200     1.200 peak   674 spectrum    1 weight  0.10000E+01 volume  0.85531E-02 ppm1      1.366 ppm2      3.686 CV     1
 OR {  674}
   (  segid "A   " and resid 70   and name HB% )
   (( segid "A   " and resid 71   and name HD2 ))
 ASSI {  679}
   (( segid "A   " and resid 41   and name HB3 ))
   (( segid "A   " and resid 42   and name HA  ))
      4.500     2.600     1.500 peak   679 spectrum    1 weight  0.10000E+01 volume  0.51248E-03 ppm1      1.981 ppm2      3.643 CV     1
 OR {  679}
   (( segid "A   " and resid 41   and name HB2 ))
   (( segid "A   " and resid 42   and name HA  ))
 ASSI {  689}
   (( segid "A   " and resid 41   and name HB3 ))
   (( segid "A   " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.45897E-02 ppm1      1.976 ppm2      8.627 CV     1
 OR {  689}
   (( segid "A   " and resid 41   and name HB2 ))
   (( segid "A   " and resid 42   and name HN  ))
 ASSI {  703}
   (( segid "A   " and resid 52   and name HB2 ))
   (( segid "A   " and resid 53   and name HA  ))
      3.600     1.600     1.600 peak   703 spectrum    1 weight  0.10000E+01 volume  0.14558E-02 ppm1      1.986 ppm2      3.499 CV     1
 OR {  703}
   (( segid "A   " and resid 52   and name HB3 ))
   (( segid "A   " and resid 53   and name HA  ))
 ASSI {  745}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 43   and name HA  ))
      3.900     1.900     1.900 peak   745 spectrum    1 weight  0.10000E+01 volume  0.96601E-03 ppm1      3.635 ppm2      4.293 CV     1
 ASSI {  746}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 43   and name HB2 ))
      4.300     2.400     1.700 peak   746 spectrum    1 weight  0.10000E+01 volume  0.11111E-02 ppm1      3.632 ppm2      4.053 CV     1
 OR {  746}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 43   and name HB3 ))
 ASSI {  747}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 43   and name HN  ))
      3.100     1.200     1.200 peak   747 spectrum    1 weight  0.10000E+01 volume  0.30114E-02 ppm1      3.632 ppm2      8.235 CV     1
 ASSI {  758}
   (( segid "A   " and resid 42   and name HB3 ))
   (( segid "A   " and resid 43   and name HN  ))
      2.600     0.800     0.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.66849E-02 ppm1      2.072 ppm2      8.252 CV     1
 OR {  758}
   (( segid "A   " and resid 42   and name HB2 ))
   (( segid "A   " and resid 43   and name HN  ))
 ASSI {  771}
   (( segid "A   " and resid 42   and name HG3 ))
   (( segid "A   " and resid 43   and name HA  ))
      3.300     1.400     1.400 peak   771 spectrum    1 weight  0.10000E+01 volume  0.20908E-02 ppm1      2.271 ppm2      4.291 CV     1
 OR {  771}
   (( segid "A   " and resid 42   and name HG2 ))
   (( segid "A   " and resid 43   and name HA  ))
 ASSI {  773}
   (( segid "A   " and resid 42   and name HG3 ))
   (( segid "A   " and resid 43   and name HB2 ))
      4.500     2.600     1.500 peak   773 spectrum    1 weight  0.10000E+01 volume  0.66215E-03 ppm1      2.211 ppm2      4.032 CV     1
 OR {  773}
   (( segid "A   " and resid 42   and name HG3 ))
   (( segid "A   " and resid 43   and name HB3 ))
 OR {  773}
   (( segid "A   " and resid 42   and name HG2 ))
   (( segid "A   " and resid 43   and name HB2 ))
 ASSI {  780}
   (( segid "A   " and resid 42   and name HG3 ))
   (( segid "A   " and resid 43   and name HN  ))
      3.800     1.800     1.800 peak   780 spectrum    1 weight  0.10000E+01 volume  0.16463E-02 ppm1      2.273 ppm2      8.242 CV     1
 OR {  780}
   (( segid "A   " and resid 42   and name HG2 ))
   (( segid "A   " and resid 43   and name HN  ))
 ASSI {  793}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak   793 spectrum    1 weight  0.10000E+01 volume  0.21361E-02 ppm1      3.746 ppm2      8.656 CV     1
 ASSI {  804}
   (  segid "A   " and resid 14   and name HB% )
   (( segid "A   " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak   804 spectrum    1 weight  0.10000E+01 volume  0.81453E-02 ppm1      1.408 ppm2      8.654 CV     1
 ASSI {  815}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 31   and name HA  ))
      5.100     3.200     0.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.33561E-03 ppm1      5.848 ppm2      4.726 CV     1
 ASSI {  817}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 31   and name HG2 ))
      6.000     4.600     0.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.23130E-03 ppm1      5.848 ppm2      2.530 CV     1
 OR {  817}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 31   and name HG3 ))
 ASSI {  850}
   (( segid "A   " and resid 8    and name HA1 ))
   (( segid "A   " and resid 9    and name HN  ))
      3.800     1.800     1.800 peak   850 spectrum    1 weight  0.10000E+01 volume  0.17461E-02 ppm1      3.554 ppm2      7.804 CV     1
 ASSI {  851}
   (( segid "A   " and resid 8    and name HA2 ))
   (( segid "A   " and resid 9    and name HN  ))
      3.300     1.300     1.300 peak   851 spectrum    1 weight  0.10000E+01 volume  0.17552E-02 ppm1      3.789 ppm2      7.801 CV     1
 ASSI {  855}
   (( segid "A   " and resid 8    and name HA1 ))
   (  segid "A   " and resid 9    and name HB% )
      3.900     1.900     1.900 peak   855 spectrum    1 weight  0.10000E+01 volume  0.35103E-02 ppm1      3.555 ppm2      1.527 CV     1
 ASSI {  858}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 55   and name HN  ))
      3.100     1.200     1.200 peak   858 spectrum    1 weight  0.10000E+01 volume  0.34287E-02 ppm1      4.056 ppm2      7.707 CV     1
 ASSI {  861}
   (( segid "A   " and resid 55   and name HA  ))
   (( segid "A   " and resid 56   and name HN  ))
      3.000     1.100     1.100 peak   861 spectrum    1 weight  0.10000E+01 volume  0.29252E-02 ppm1      4.148 ppm2      8.672 CV     1
 ASSI {  865}
   (( segid "A   " and resid 11   and name HB3 ))
   (( segid "A   " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   865 spectrum    1 weight  0.10000E+01 volume  0.61135E-02 ppm1      1.877 ppm2      7.920 CV     1
 OR {  865}
   (( segid "A   " and resid 11   and name HB2 ))
   (( segid "A   " and resid 12   and name HN  ))
 ASSI {  868}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak   868 spectrum    1 weight  0.10000E+01 volume  0.37416E-02 ppm1      4.089 ppm2      8.355 CV     1
 ASSI {  872}
   (  segid "A   " and resid 12   and name HB% )
   (( segid "A   " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   872 spectrum    1 weight  0.10000E+01 volume  0.11696E-01 ppm1      1.535 ppm2      8.360 CV     1
 ASSI {  873}
   (( segid "A   " and resid 28   and name HA  ))
   (( segid "A   " and resid 29   and name HN  ))
      2.000     0.500     0.500 peak   873 spectrum    1 weight  0.10000E+01 volume  0.14894E-01 ppm1      4.484 ppm2      8.708 CV     1
 ASSI {  879}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak   879 spectrum    1 weight  0.10000E+01 volume  0.25669E-02 ppm1      4.426 ppm2      8.824 CV     1
 ASSI {  891}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 42   and name HN  ))
      2.900     1.000     1.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.40182E-02 ppm1      4.100 ppm2      8.636 CV     1
 ASSI {  898}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak   898 spectrum    1 weight  0.10000E+01 volume  0.16916E-02 ppm1      4.059 ppm2      7.839 CV     1
 ASSI {  902}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 52   and name HN  ))
      3.100     1.200     1.200 peak   902 spectrum    1 weight  0.10000E+01 volume  0.30613E-02 ppm1      4.153 ppm2      8.640 CV     1
 ASSI {  910}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 50   and name HN  ))
      2.400     2.400     3.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.15959E-01 ppm1      3.876 ppm2      8.538 CV     1
 ASSI {  919}
   (( segid "A   " and resid 13   and name HB3 ))
   (( segid "A   " and resid 14   and name HN  ))
      3.000     1.200     1.200 peak   919 spectrum    1 weight  0.10000E+01 volume  0.47166E-02 ppm1      3.273 ppm2      8.824 CV     1
 OR {  919}
   (( segid "A   " and resid 13   and name HB2 ))
   (( segid "A   " and resid 14   and name HN  ))
 ASSI {  922}
   (( segid "A   " and resid 13   and name HB2 ))
   (( segid "A   " and resid 14   and name HA  ))
      4.900     3.000     1.100 peak   922 spectrum    1 weight  0.10000E+01 volume  0.39003E-03 ppm1      3.272 ppm2      3.765 CV     1
 OR {  922}
   (( segid "A   " and resid 13   and name HB3 ))
   (( segid "A   " and resid 14   and name HA  ))
 ASSI {  940}
   (( segid "A   " and resid 16   and name HB3 ))
   (( segid "A   " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak   940 spectrum    1 weight  0.10000E+01 volume  0.35601E-02 ppm1      4.117 ppm2      7.319 CV     1
 OR {  940}
   (( segid "A   " and resid 16   and name HB2 ))
   (( segid "A   " and resid 17   and name HN  ))
 ASSI {  944}
   (( segid "A   " and resid 16   and name HB3 ))
   (  segid "A   " and resid 17   and name HD1%)
      4.800     2.900     1.200 peak   944 spectrum    1 weight  0.10000E+01 volume  0.57597E-03 ppm1      4.124 ppm2      0.636 CV     1
 OR {  944}
   (( segid "A   " and resid 16   and name HB2 ))
   (  segid "A   " and resid 17   and name HD1%)
 ASSI {  981}
   (( segid "A   " and resid 53   and name HB  ))
   (( segid "A   " and resid 54   and name HA  ))
      3.800     1.800     1.800 peak   981 spectrum    1 weight  0.10000E+01 volume  0.17597E-02 ppm1      1.867 ppm2      4.069 CV     1
 ASSI {  985}
   (( segid "A   " and resid 53   and name HB  ))
   (  segid "A   " and resid 54   and name HB% )
      3.900     1.900     1.900 peak   985 spectrum    1 weight  0.10000E+01 volume  0.21179E-02 ppm1      1.867 ppm2      1.503 CV     1
 ASSI {  987}
   (( segid "A   " and resid 53   and name HB  ))
   (( segid "A   " and resid 54   and name HN  ))
      2.500     0.800     0.800 peak   987 spectrum    1 weight  0.10000E+01 volume  0.60365E-02 ppm1      1.868 ppm2      7.354 CV     1
 ASSI { 1004}
   (( segid "A   " and resid 56   and name HB3 ))
   (( segid "A   " and resid 57   and name HN  ))
      3.400     1.500     1.500 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.20227E-02 ppm1      1.542 ppm2      8.328 CV     1
 OR { 1004}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 57   and name HN  ))
 ASSI { 1021}
   (( segid "A   " and resid 75   and name HB3 ))
   (( segid "A   " and resid 76   and name HN  ))
      3.200     1.300     1.300 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.29116E-02 ppm1      2.799 ppm2      8.145 CV     1
 OR { 1021}
   (( segid "A   " and resid 75   and name HB2 ))
   (( segid "A   " and resid 76   and name HN  ))
 ASSI { 1024}
   (( segid "A   " and resid 70   and name HA  ))
   (( segid "A   " and resid 71   and name HD3 ))
      2.000     0.500     0.500 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.22050E-01 ppm1      4.604 ppm2      3.711 CV     1
 OR { 1024}
   (( segid "A   " and resid 70   and name HA  ))
   (( segid "A   " and resid 71   and name HD2 ))
 ASSI { 1048}
   (( segid "A   " and resid 19   and name HB  ))
   (( segid "A   " and resid 20   and name HN  ))
      3.600     1.600     1.600 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.24037E-02 ppm1      1.902 ppm2      8.862 CV     1
 ASSI { 1057}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 20   and name HN  ))
      2.500     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.98278E-02 ppm1      0.854 ppm2      8.877 CV     1
 ASSI { 1069}
   (( segid "A   " and resid 25   and name HA1 ))
   (( segid "A   " and resid 26   and name HN  ))
      3.700     1.700     1.700 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.39683E-02 ppm1      4.007 ppm2      8.805 CV     1
 ASSI { 1075}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 22   and name HB3 ))
      4.900     3.000     1.100 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.50795E-03 ppm1      5.583 ppm2      3.420 CV     1
 OR { 1075}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 22   and name HB2 ))
 ASSI { 1085}
   (( segid "A   " and resid 21   and name HB3 ))
   (( segid "A   " and resid 22   and name HA  ))
      3.800     1.800     1.800 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.79367E-03 ppm1      1.600 ppm2      4.919 CV     1
 OR { 1085}
   (( segid "A   " and resid 21   and name HB2 ))
   (( segid "A   " and resid 22   and name HA  ))
 ASSI { 1092}
   (( segid "A   " and resid 21   and name HG  ))
   (( segid "A   " and resid 22   and name HE3 ))
      5.100     3.200     0.900 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.47620E-03 ppm1      1.695 ppm2      7.096 CV     1
 ASSI { 1105}
   (  segid "A   " and resid 56   and name HD2%)
   (( segid "A   " and resid 57   and name HN  ))
      4.500     2.500     1.500 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.87530E-03 ppm1      0.707 ppm2      8.323 CV     1
 ASSI { 1125}
   (  segid "A   " and resid 56   and name HD1%)
   (( segid "A   " and resid 57   and name HN  ))
      4.200     2.300     1.800 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.97507E-03 ppm1      1.001 ppm2      8.329 CV     1
 ASSI { 1133}
   (( segid "A   " and resid 23   and name HA  ))
   (( segid "A   " and resid 24   and name HN  ))
      2.300     0.700     0.700 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.90435E-02 ppm1      4.758 ppm2      8.633 CV     1
 ASSI { 1163}
   (( segid "A   " and resid 25   and name HA1 ))
   (( segid "A   " and resid 26   and name HA  ))
      3.900     1.900     1.900 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.12835E-02 ppm1      4.007 ppm2      4.256 CV     1
 ASSI { 1173}
   (( segid "A   " and resid 26   and name HG3 ))
   (( segid "A   " and resid 27   and name HN  ))
      3.600     1.700     1.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.18322E-02 ppm1      2.301 ppm2      7.986 CV     1
 ASSI { 1176}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 28   and name HN  ))
      2.100     0.600     0.600 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.15452E-01 ppm1      4.570 ppm2      8.421 CV     1
 ASSI { 1182}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 28   and name HB3 ))
      4.300     2.300     1.700 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.13470E-02 ppm1      4.570 ppm2      1.283 CV     1
 OR { 1182}
   (( segid "A   " and resid 27   and name HA  ))
   (( segid "A   " and resid 28   and name HB2 ))
 ASSI { 1183}
   (( segid "A   " and resid 27   and name HA  ))
   (  segid "A   " and resid 28   and name HD1%)
      3.400     3.400     2.600 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.71294E-02 ppm1      4.569 ppm2      0.820 CV     1
 OR { 1183}
   (( segid "A   " and resid 27   and name HA  ))
   (  segid "A   " and resid 28   and name HD2%)
 ASSI { 1186}
   (( segid "A   " and resid 27   and name HB2 ))
   (( segid "A   " and resid 28   and name HN  ))
      3.600     1.600     1.600 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.26894E-02 ppm1      1.740 ppm2      8.423 CV     1
 OR { 1186}
   (( segid "A   " and resid 27   and name HB3 ))
   (( segid "A   " and resid 28   and name HN  ))
 ASSI { 1193}
   (( segid "A   " and resid 27   and name HG3 ))
   (( segid "A   " and resid 28   and name HN  ))
      2.800     0.900     0.900 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.38232E-02 ppm1      1.616 ppm2      8.395 CV     1
 OR { 1193}
   (( segid "A   " and resid 27   and name HG2 ))
   (( segid "A   " and resid 28   and name HN  ))
 ASSI { 1197}
   (( segid "A   " and resid 28   and name HB2 ))
   (( segid "A   " and resid 29   and name HN  ))
      4.000     2.000     2.000 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.16599E-02 ppm1      1.275 ppm2      8.704 CV     1
 OR { 1197}
   (( segid "A   " and resid 28   and name HB3 ))
   (( segid "A   " and resid 29   and name HN  ))
 ASSI { 1204}
   (( segid "A   " and resid 28   and name HG  ))
   (( segid "A   " and resid 29   and name HN  ))
      3.300     1.400     1.400 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.25126E-02 ppm1      1.431 ppm2      8.699 CV     1
 ASSI { 1208}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 29   and name HN  ))
      2.400     0.700     0.700 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.93747E-02 ppm1      0.800 ppm2      8.690 CV     1
 ASSI { 1224}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 29   and name HB2 ))
      5.800     4.200     0.200 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.17234E-03 ppm1      0.799 ppm2     -0.489 CV     1
 OR { 1224}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 29   and name HB3 ))
 ASSI { 1226}
   (( segid "A   " and resid 53   and name HG13))
   (( segid "A   " and resid 54   and name HN  ))
      4.700     2.800     1.300 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.68029E-03 ppm1      0.800 ppm2      7.347 CV     1
 ASSI { 1228}
   (( segid "A   " and resid 53   and name HG12))
   (( segid "A   " and resid 54   and name HN  ))
      4.400     2.400     1.600 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.16962E-02 ppm1      1.889 ppm2      7.354 CV     1
 ASSI { 1237}
   (( segid "A   " and resid 49   and name HG3 ))
   (( segid "A   " and resid 50   and name HN  ))
      3.000     1.100     1.100 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.14740E-02 ppm1      1.330 ppm2      8.536 CV     1
 OR { 1237}
   (( segid "A   " and resid 49   and name HG2 ))
   (( segid "A   " and resid 50   and name HN  ))
 ASSI { 1246}
   (( segid "A   " and resid 41   and name HG  ))
   (( segid "A   " and resid 42   and name HN  ))
      3.600     1.600     1.600 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.19048E-02 ppm1      1.482 ppm2      8.630 CV     1
 ASSI { 1261}
   (( segid "A   " and resid 57   and name HG2 ))
   (( segid "A   " and resid 58   and name HN  ))
      3.900     1.900     1.900 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.16780E-02 ppm1      1.967 ppm2      7.652 CV     1
 OR { 1261}
   (( segid "A   " and resid 57   and name HG3 ))
   (( segid "A   " and resid 58   and name HN  ))
 ASSI { 1268}
   (( segid "A   " and resid 20   and name HG2 ))
   (( segid "A   " and resid 21   and name HN  ))
      4.600     2.600     1.400 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.97050E-03 ppm1      1.796 ppm2      8.063 CV     1
 OR { 1268}
   (( segid "A   " and resid 20   and name HG3 ))
   (( segid "A   " and resid 21   and name HN  ))
 ASSI { 1280}
   (( segid "A   " and resid 44   and name HG3 ))
   (( segid "A   " and resid 45   and name HN  ))
      3.700     1.700     1.700 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.18866E-02 ppm1      1.948 ppm2      8.423 CV     1
 OR { 1280}
   (( segid "A   " and resid 44   and name HG2 ))
   (( segid "A   " and resid 45   and name HN  ))
 ASSI { 1284}
   (( segid "A   " and resid 72   and name HB  ))
   (( segid "A   " and resid 73   and name HN  ))
      4.500     2.500     1.500 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.70750E-03 ppm1      2.078 ppm2      8.333 CV     1
 ASSI { 1302}
   (( segid "A   " and resid 37   and name HG3 ))
   (( segid "A   " and resid 38   and name HN  ))
      3.500     1.500     1.500 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.31883E-02 ppm1      2.517 ppm2      7.269 CV     1
 OR { 1302}
   (( segid "A   " and resid 37   and name HG2 ))
   (( segid "A   " and resid 38   and name HN  ))
 ASSI { 1327}
   (( segid "A   " and resid 20   and name HB3 ))
   (( segid "A   " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.13379E-02 ppm1      1.978 ppm2      8.053 CV     1
 OR { 1327}
   (( segid "A   " and resid 20   and name HB2 ))
   (( segid "A   " and resid 21   and name HN  ))
 ASSI { 1343}
   (( segid "A   " and resid 20   and name HD3 ))
   (( segid "A   " and resid 21   and name HN  ))
      4.000     2.000     2.000 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.24400E-02 ppm1      3.231 ppm2      8.065 CV     1
 OR { 1343}
   (( segid "A   " and resid 20   and name HD2 ))
   (( segid "A   " and resid 21   and name HN  ))
 ASSI { 1346}
   (( segid "A   " and resid 1    and name HA2 ))
   (( segid "A   " and resid 2    and name HD3 ))
      2.300     0.600     0.600 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.16350E-01 ppm1      4.005 ppm2      3.592 CV     1
 OR { 1346}
   (( segid "A   " and resid 1    and name HA1 ))
   (( segid "A   " and resid 2    and name HD3 ))
 OR { 1346}
   (( segid "A   " and resid 1    and name HA2 ))
   (( segid "A   " and resid 2    and name HD2 ))
 OR { 1346}
   (( segid "A   " and resid 1    and name HA1 ))
   (( segid "A   " and resid 2    and name HD2 ))
 ASSI { 1347}
   (( segid "A   " and resid 1    and name HA2 ))
   (( segid "A   " and resid 2    and name HB3 ))
      4.800     2.900     1.200 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.77553E-03 ppm1      4.004 ppm2      2.021 CV     1
 OR { 1347}
   (( segid "A   " and resid 1    and name HA2 ))
   (( segid "A   " and resid 2    and name HB2 ))
 OR { 1347}
   (( segid "A   " and resid 1    and name HA1 ))
   (( segid "A   " and resid 2    and name HB3 ))
 OR { 1347}
   (( segid "A   " and resid 1    and name HA1 ))
   (( segid "A   " and resid 2    and name HB2 ))
 ASSI { 1368}
   (( segid "A   " and resid 6    and name HB3 ))
   (( segid "A   " and resid 7    and name HN  ))
      4.700     2.800     1.300 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.33107E-03 ppm1      4.003 ppm2      8.729 CV     1
 OR { 1368}
   (( segid "A   " and resid 6    and name HB2 ))
   (( segid "A   " and resid 7    and name HN  ))
 ASSI { 1376}
   (( segid "A   " and resid 63   and name HB2 ))
   (( segid "A   " and resid 64   and name HE22))
      5.800     4.300     0.200 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.14513E-03 ppm1      3.932 ppm2      7.419 CV     1
 OR { 1376}
   (( segid "A   " and resid 63   and name HB3 ))
   (( segid "A   " and resid 64   and name HE22))
 ASSI { 1379}
   (  segid "A   " and resid 72   and name HG1%)
   (( segid "A   " and resid 73   and name HN  ))
      4.000     2.000     2.000 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.86166E-03 ppm1      0.970 ppm2      8.329 CV     1
 ASSI { 1383}
   (  segid "A   " and resid 11   and name HD2%)
   (( segid "A   " and resid 12   and name HN  ))
      3.900     1.900     1.900 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.17687E-02 ppm1      0.959 ppm2      7.923 CV     1
 ASSI { 1389}
   (  segid "A   " and resid 55   and name HD2%)
   (( segid "A   " and resid 56   and name HN  ))
      2.500     2.500     3.500 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.35738E-02 ppm1      0.893 ppm2      8.665 CV     1
 ASSI { 1392}
   (  segid "A   " and resid 11   and name HD1%)
   (( segid "A   " and resid 12   and name HN  ))
      3.000     1.200     1.200 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.43175E-02 ppm1      0.895 ppm2      7.918 CV     1
 ASSI { 1412}
   (( segid "A   " and resid 11   and name HG  ))
   (( segid "A   " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.29252E-02 ppm1      1.711 ppm2      7.928 CV     1
 ASSI { 1423}
   (( segid "A   " and resid 56   and name HG  ))
   (( segid "A   " and resid 57   and name HN  ))
      3.300     1.400     1.400 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.11565E-02 ppm1      1.858 ppm2      8.323 CV     1
 ASSI { 1454}
   (( segid "A   " and resid 18   and name HA1 ))
   (  segid "A   " and resid 19   and name HG2%)
      4.000     2.000     2.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.24762E-02 ppm1      4.302 ppm2      0.874 CV     1
 ASSI { 1455}
   (( segid "A   " and resid 18   and name HA2 ))
   (  segid "A   " and resid 19   and name HG2%)
      3.800     1.800     1.800 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.20227E-02 ppm1      3.711 ppm2      0.873 CV     1
 ASSI { 1462}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 32   and name HA  ))
      4.300     2.300     1.700 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.55784E-03 ppm1      2.274 ppm2      5.205 CV     1
 OR { 1462}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 32   and name HA  ))
 ASSI { 1467}
   (( segid "A   " and resid 31   and name HB3 ))
   (  segid "A   " and resid 32   and name HB% )
      4.500     2.500     1.500 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.67575E-03 ppm1      2.274 ppm2      1.488 CV     1
 OR { 1467}
   (( segid "A   " and resid 31   and name HB2 ))
   (  segid "A   " and resid 32   and name HB% )
 ASSI { 1473}
   (( segid "A   " and resid 31   and name HG3 ))
   (( segid "A   " and resid 32   and name HN  ))
      3.800     1.900     1.900 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.11202E-02 ppm1      2.556 ppm2      9.087 CV     1
 OR { 1473}
   (( segid "A   " and resid 31   and name HG2 ))
   (( segid "A   " and resid 32   and name HN  ))
 ASSI { 1474}
   (( segid "A   " and resid 31   and name HG3 ))
   (( segid "A   " and resid 32   and name HA  ))
      4.500     2.600     1.500 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.24944E-03 ppm1      2.557 ppm2      5.207 CV     1
 OR { 1474}
   (( segid "A   " and resid 31   and name HG2 ))
   (( segid "A   " and resid 32   and name HA  ))
 ASSI { 1480}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.47348E-02 ppm1      4.357 ppm2      7.873 CV     1
 ASSI { 1481}
   (( segid "A   " and resid 17   and name HA  ))
   (( segid "A   " and resid 18   and name HA2 ))
      3.700     1.700     1.700 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.11157E-02 ppm1      4.358 ppm2      3.729 CV     1
 ASSI { 1493}
   (( segid "A   " and resid 45   and name HB2 ))
   (( segid "A   " and resid 46   and name HN  ))
      3.000     1.100     1.100 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.28254E-02 ppm1      0.991 ppm2      8.189 CV     1
 OR { 1493}
   (( segid "A   " and resid 45   and name HB3 ))
   (( segid "A   " and resid 46   and name HN  ))
 ASSI { 1501}
   (( segid "A   " and resid 57   and name HB3 ))
   (( segid "A   " and resid 58   and name HN  ))
      2.900     1.000     1.000 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.43447E-02 ppm1      1.961 ppm2      7.651 CV     1
 OR { 1501}
   (( segid "A   " and resid 57   and name HB2 ))
   (( segid "A   " and resid 58   and name HN  ))
 ASSI { 1509}
   (  segid "A   " and resid 7    and name HB% )
   (( segid "A   " and resid 8    and name HA1 ))
      3.800     1.900     1.900 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.14059E-02 ppm1      1.399 ppm2      3.555 CV     1
 ASSI { 1514}
   (( segid "A   " and resid 49   and name HD3 ))
   (( segid "A   " and resid 50   and name HD2 ))
      4.300     2.300     1.700 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.78006E-03 ppm1      3.304 ppm2      8.092 CV     1
 ASSI { 1518}
   (( segid "A   " and resid 49   and name HD3 ))
   (( segid "A   " and resid 50   and name HA  ))
      4.600     2.600     1.400 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.99777E-03 ppm1      3.307 ppm2      4.338 CV     1
 ASSI { 1531}
   (( segid "A   " and resid 50   and name HE1 ))
   (( segid "A   " and resid 51   and name HA  ))
      5.300     3.600     0.700 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.39457E-03 ppm1      7.219 ppm2      4.141 CV     1
 ASSI { 1533}
   (( segid "A   " and resid 50   and name HE1 ))
   (( segid "A   " and resid 51   and name HN  ))
      5.700     4.100     0.300 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.14059E-03 ppm1      7.221 ppm2      8.243 CV     1
 ASSI { 1569}
   (( segid "A   " and resid 76   and name HA2 ))
   (( segid "A   " and resid 77   and name HG2 ))
      5.900     4.400     0.100 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.15420E-03 ppm1      3.862 ppm2      1.634 CV     1
 OR { 1569}
   (( segid "A   " and resid 76   and name HA2 ))
   (( segid "A   " and resid 77   and name HG3 ))
 ASSI { 1597}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 74   and name HB2 ))
      5.500     3.800     0.500 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.20409E-03 ppm1      4.388 ppm2      1.921 CV     1
 OR { 1597}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 74   and name HB3 ))
 ASSI { 1603}
   (( segid "A   " and resid 63   and name HB3 ))
   (( segid "A   " and resid 64   and name HB2 ))
      6.000     6.000     0.000 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.31747E-04 ppm1      3.934 ppm2      1.989 CV     1
 OR { 1603}
   (( segid "A   " and resid 63   and name HB3 ))
   (( segid "A   " and resid 64   and name HB3 ))
 OR { 1603}
   (( segid "A   " and resid 63   and name HB2 ))
   (( segid "A   " and resid 64   and name HB2 ))
 OR { 1603}
   (( segid "A   " and resid 63   and name HB2 ))
   (( segid "A   " and resid 64   and name HB3 ))
 ASSI { 1607}
   (( segid "A   " and resid 45   and name HG  ))
   (( segid "A   " and resid 46   and name HN  ))
      5.200     3.400     0.800 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.33107E-03 ppm1      1.774 ppm2      8.197 CV     1
 ASSI { 1622}
   (( segid "A   " and resid 47   and name HA1 ))
   (  segid "A   " and resid 48   and name HB% )
      5.400     3.700     0.600 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.34468E-03 ppm1      4.076 ppm2      1.393 CV     1
 OR { 1622}
   (( segid "A   " and resid 47   and name HA2 ))
   (  segid "A   " and resid 48   and name HB% )
 ASSI { 1623}
   (( segid "A   " and resid 47   and name HA1 ))
   (  segid "A   " and resid 48   and name HB% )
      5.400     3.600     0.600 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.36736E-03 ppm1      3.944 ppm2      1.393 CV     1
 ASSI { 1627}
   (( segid "A   " and resid 47   and name HA1 ))
   (( segid "A   " and resid 48   and name HA  ))
      5.200     3.400     0.800 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.21316E-03 ppm1      3.945 ppm2      4.946 CV     1
 ASSI { 1628}
   (( segid "A   " and resid 47   and name HA2 ))
   (( segid "A   " and resid 48   and name HN  ))
      4.000     2.000     2.000 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.10885E-02 ppm1      4.075 ppm2      7.308 CV     1
 ASSI { 1629}
   (( segid "A   " and resid 47   and name HA1 ))
   (( segid "A   " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.10839E-02 ppm1      3.942 ppm2      7.307 CV     1
 ASSI { 1646}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 4    and name HN  ))
      4.500     2.500     1.500 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.30386E-03 ppm1      4.336 ppm2      8.413 CV     1
 ASSI { 1655}
   (( segid "A   " and resid 26   and name HB3 ))
   (( segid "A   " and resid 27   and name HN  ))
      5.000     3.200     1.000 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.33561E-03 ppm1      2.319 ppm2      7.981 CV     1
 OR { 1655}
   (( segid "A   " and resid 26   and name HB2 ))
   (( segid "A   " and resid 27   and name HN  ))
 ASSI { 1661}
   (( segid "A   " and resid 40   and name HG2 ))
   (( segid "A   " and resid 41   and name HN  ))
      4.300     2.300     1.700 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.68029E-03 ppm1      2.299 ppm2      7.842 CV     1
 OR { 1661}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 41   and name HN  ))
 ASSI { 1685}
   (( segid "A   " and resid 44   and name HD3 ))
   (( segid "A   " and resid 45   and name HN  ))
      4.100     2.100     1.900 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.19501E-03 ppm1      3.106 ppm2      8.418 CV     1
 ASSI { 1687}
   (( segid "A   " and resid 57   and name HD3 ))
   (( segid "A   " and resid 58   and name HN  ))
      3.600     1.600     1.600 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.41270E-03 ppm1      3.178 ppm2      7.652 CV     1
 OR { 1687}
   (( segid "A   " and resid 57   and name HD2 ))
   (( segid "A   " and resid 58   and name HN  ))
 ASSI { 1699}
   (( segid "A   " and resid 27   and name HD3 ))
   (( segid "A   " and resid 28   and name HB3 ))
      2.800     1.000     1.000 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.12050E-01 ppm1      3.183 ppm2      1.699 CV     1
 OR { 1699}
   (( segid "A   " and resid 27   and name HD3 ))
   (( segid "A   " and resid 28   and name HB2 ))
 OR { 1699}
   (( segid "A   " and resid 27   and name HD2 ))
   (( segid "A   " and resid 28   and name HB3 ))
 ASSI { 1701}
   (( segid "A   " and resid 27   and name HD3 ))
   (( segid "A   " and resid 28   and name HN  ))
      3.600     1.600     1.600 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.83902E-03 ppm1      3.189 ppm2      8.399 CV     1
 OR { 1701}
   (( segid "A   " and resid 27   and name HD2 ))
   (( segid "A   " and resid 28   and name HN  ))
 ASSI { 1707}
   (( segid "A   " and resid 55   and name HB3 ))
   (( segid "A   " and resid 56   and name HN  ))
      3.300     1.400     1.400 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.14104E-02 ppm1      1.818 ppm2      8.671 CV     1
 OR { 1707}
   (( segid "A   " and resid 55   and name HB2 ))
   (( segid "A   " and resid 56   and name HN  ))
 ASSI { 1726}
   (  segid "A   " and resid 21   and name HD1%)
   (( segid "A   " and resid 22   and name HA  ))
      5.400     3.700     0.600 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.26758E-03 ppm1      0.866 ppm2      4.918 CV     1
 ASSI { 1742}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 44   and name HG2 ))
      4.900     2.900     1.100 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.54423E-03 ppm1      4.289 ppm2      1.696 CV     1
 OR { 1742}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 44   and name HG3 ))
 ASSI { 1747}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 17   and name HN  ))
      3.800     1.800     1.800 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.92070E-03 ppm1      4.292 ppm2      7.316 CV     1
 ASSI { 1756}
   (( segid "A   " and resid 41   and name HB3 ))
   (( segid "A   " and resid 42   and name HG2 ))
      5.700     4.100     0.300 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.29932E-03 ppm1      1.984 ppm2      2.253 CV     1
 OR { 1756}
   (( segid "A   " and resid 41   and name HB3 ))
   (( segid "A   " and resid 42   and name HG3 ))
 OR { 1756}
   (( segid "A   " and resid 41   and name HB2 ))
   (( segid "A   " and resid 42   and name HG2 ))
 ASSI { 1761}
   (  segid "A   " and resid 7    and name HB% )
   (( segid "A   " and resid 8    and name HA2 ))
      4.800     2.900     1.200 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.73471E-03 ppm1      1.402 ppm2      3.831 CV     1
 ASSI { 1764}
   (( segid "A   " and resid 51   and name HG3 ))
   (  segid "A   " and resid 52   and name HD2%)
      4.200     2.200     1.800 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.74831E-03 ppm1      2.431 ppm2      0.869 CV     1
 OR { 1764}
   (( segid "A   " and resid 51   and name HG2 ))
   (  segid "A   " and resid 52   and name HD2%)
 ASSI { 1765}
   (( segid "A   " and resid 51   and name HG3 ))
   (  segid "A   " and resid 52   and name HD1%)
      4.700     2.800     1.300 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.75285E-03 ppm1      2.323 ppm2      0.869 CV     1
 OR { 1765}
   (( segid "A   " and resid 51   and name HG2 ))
   (  segid "A   " and resid 52   and name HD1%)
 ASSI { 1781}
   (  segid "A   " and resid 9    and name HB% )
   (( segid "A   " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.47937E-02 ppm1      1.498 ppm2      7.920 CV     1
 ASSI { 1783}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 10   and name HB3 ))
      5.700     4.000     0.300 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.27665E-03 ppm1      4.218 ppm2      1.758 CV     1
 OR { 1783}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI { 1789}
   (( segid "A   " and resid 10   and name HB3 ))
   (( segid "A   " and resid 11   and name HN  ))
      2.900     1.100     1.100 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.29751E-02 ppm1      1.746 ppm2      8.348 CV     1
 OR { 1789}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 11   and name HN  ))
 ASSI { 1800}
   (( segid "A   " and resid 10   and name HG  ))
   (( segid "A   " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.72111E-03 ppm1      1.557 ppm2      8.341 CV     1
 ASSI { 1802}
   (( segid "A   " and resid 10   and name HG  ))
   (( segid "A   " and resid 11   and name HA  ))
      3.800     1.800     1.800 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.58051E-03 ppm1      1.558 ppm2      3.890 CV     1
 ASSI { 1810}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 13   and name HB3 ))
      5.700     4.100     0.300 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.31294E-03 ppm1      4.090 ppm2      3.278 CV     1
 OR { 1810}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 13   and name HB2 ))
 ASSI { 1814}
   (  segid "A   " and resid 15   and name HB% )
   (( segid "A   " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.26486E-02 ppm1      1.542 ppm2      8.160 CV     1
 ASSI { 1819}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "A   " and resid 16   and name HB2 ))
      6.000     5.700     0.000 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.86166E-04 ppm1      4.480 ppm2      4.116 CV     1
 OR { 1819}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "A   " and resid 16   and name HB3 ))
 ASSI { 1841}
   (( segid "A   " and resid 33   and name HG3 ))
   (( segid "A   " and resid 34   and name HD3 ))
      5.500     3.800     0.500 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.72111E-03 ppm1      2.289 ppm2      3.704 CV     1
 OR { 1841}
   (( segid "A   " and resid 33   and name HG2 ))
   (( segid "A   " and resid 34   and name HD3 ))
 ASSI { 1849}
   (  segid "A   " and resid 19   and name HG2%)
   (( segid "A   " and resid 20   and name HN  ))
      4.700     2.800     1.300 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.11338E-02 ppm1      0.868 ppm2      8.855 CV     1
 ASSI { 1886}
   (( segid "A   " and resid 30   and name HB3 ))
   (( segid "A   " and resid 31   and name HB3 ))
      6.000     4.900     0.000 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.11338E-03 ppm1      2.778 ppm2      2.273 CV     1
 OR { 1886}
   (( segid "A   " and resid 30   and name HB2 ))
   (( segid "A   " and resid 31   and name HB3 ))
 OR { 1886}
   (( segid "A   " and resid 30   and name HB3 ))
   (( segid "A   " and resid 31   and name HB2 ))
 OR { 1886}
   (( segid "A   " and resid 30   and name HB2 ))
   (( segid "A   " and resid 31   and name HB2 ))
 ASSI { 1889}
   (( segid "A   " and resid 31   and name HA  ))
   (( segid "A   " and resid 32   and name HN  ))
      4.600     2.600     1.400 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.19955E-03 ppm1      4.734 ppm2      9.114 CV     1
 ASSI { 1894}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 32   and name HN  ))
      5.400     3.700     0.600 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.37643E-03 ppm1      2.275 ppm2      9.128 CV     1
 OR { 1894}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 32   and name HN  ))
 ASSI { 1895}
   (( segid "A   " and resid 31   and name HG3 ))
   (  segid "A   " and resid 32   and name HB% )
      4.800     2.800     1.200 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.44899E-03 ppm1      2.557 ppm2      1.507 CV     1
 OR { 1895}
   (( segid "A   " and resid 31   and name HG2 ))
   (  segid "A   " and resid 32   and name HB% )
 ASSI { 1919}
   (( segid "A   " and resid 71   and name HD3 ))
   (( segid "A   " and resid 72   and name HB  ))
      3.600     3.600     2.400 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.45080E-02 ppm1      3.655 ppm2      2.031 CV     1
 ASSI { 1924}
   (( segid "A   " and resid 35   and name HA2 ))
   (( segid "A   " and resid 36   and name HN  ))
      3.700     1.800     1.800 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.93425E-03 ppm1      4.224 ppm2      7.433 CV     1
 ASSI { 1925}
   (( segid "A   " and resid 35   and name HA1 ))
   (( segid "A   " and resid 36   and name HN  ))
      3.900     1.900     1.900 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.78006E-03 ppm1      3.779 ppm2      7.433 CV     1
 ASSI { 1937}
   (  segid "A   " and resid 36   and name HG1%)
   (( segid "A   " and resid 37   and name HN  ))
      4.600     2.600     1.400 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.11883E-02 ppm1      1.003 ppm2      8.644 CV     1
 ASSI { 1944}
   (( segid "A   " and resid 37   and name HA  ))
   (  segid "A   " and resid 38   and name HG2%)
      5.000     3.100     1.000 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.57597E-03 ppm1      4.633 ppm2      1.411 CV     1
 ASSI { 1950}
   (( segid "A   " and resid 51   and name HB3 ))
   (  segid "A   " and resid 52   and name HD2%)
      4.100     2.100     1.900 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.11837E-02 ppm1      2.176 ppm2      0.874 CV     1
 OR { 1950}
   (( segid "A   " and resid 51   and name HB2 ))
   (  segid "A   " and resid 52   and name HD2%)
 ASSI { 1952}
   (( segid "A   " and resid 60   and name HB3 ))
   (( segid "A   " and resid 61   and name HD3 ))
      4.200     2.200     1.800 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.18095E-02 ppm1      2.167 ppm2      3.555 CV     1
 OR { 1952}
   (( segid "A   " and resid 60   and name HB2 ))
   (( segid "A   " and resid 61   and name HD3 ))
 ASSI { 1969}
   (( segid "A   " and resid 42   and name HB3 ))
   (( segid "A   " and resid 43   and name HB2 ))
      4.000     2.000     2.000 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.14967E-02 ppm1      2.071 ppm2      4.033 CV     1
 OR { 1969}
   (( segid "A   " and resid 42   and name HB3 ))
   (( segid "A   " and resid 43   and name HB3 ))
 OR { 1969}
   (( segid "A   " and resid 42   and name HB2 ))
   (( segid "A   " and resid 43   and name HB2 ))
 ASSI { 1973}
   (( segid "A   " and resid 40   and name HB3 ))
   (( segid "A   " and resid 41   and name HN  ))
      3.500     1.600     1.600 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.98871E-03 ppm1      2.123 ppm2      7.842 CV     1
 OR { 1973}
   (( segid "A   " and resid 40   and name HB2 ))
   (( segid "A   " and resid 41   and name HN  ))
 ASSI { 1990}
   (  segid "A   " and resid 41   and name HD1%)
   (( segid "A   " and resid 42   and name HN  ))
      4.400     2.400     1.600 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.16281E-02 ppm1      0.969 ppm2      8.644 CV     1
 ASSI { 2006}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 44   and name HN  ))
      3.800     1.800     1.800 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.96601E-03 ppm1      4.280 ppm2      8.018 CV     1
 ASSI { 2013}
   (( segid "A   " and resid 44   and name HA  ))
   (( segid "A   " and resid 45   and name HN  ))
      3.400     1.400     1.400 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.19139E-02 ppm1      4.121 ppm2      8.404 CV     1
 ASSI { 2017}
   (( segid "A   " and resid 44   and name HA  ))
   (  segid "A   " and resid 45   and name HD2%)
      6.000     4.700     0.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.14513E-03 ppm1      4.118 ppm2      0.619 CV     1
 ASSI { 2019}
   (( segid "A   " and resid 44   and name HB2 ))
   (  segid "A   " and resid 45   and name HD2%)
      5.800     4.200     0.200 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.11338E-03 ppm1      1.958 ppm2      0.602 CV     1
 OR { 2019}
   (( segid "A   " and resid 44   and name HB3 ))
   (  segid "A   " and resid 45   and name HD2%)
 ASSI { 2020}
   (( segid "A   " and resid 44   and name HB2 ))
   (  segid "A   " and resid 45   and name HD1%)
      6.000     5.000     0.000 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.10885E-03 ppm1      1.968 ppm2      0.409 CV     1
 OR { 2020}
   (( segid "A   " and resid 44   and name HB3 ))
   (  segid "A   " and resid 45   and name HD1%)
 ASSI { 2049}
   (( segid "A   " and resid 49   and name HD3 ))
   (( segid "A   " and resid 50   and name HN  ))
      6.000     4.700     0.000 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.22676E-03 ppm1      3.313 ppm2      8.551 CV     1
 ASSI { 2051}
   (( segid "A   " and resid 51   and name HA  ))
   (  segid "A   " and resid 52   and name HD2%)
      4.500     2.500     1.500 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.97507E-03 ppm1      4.151 ppm2      0.865 CV     1
 ASSI { 2068}
   (( segid "A   " and resid 51   and name HG3 ))
   (( segid "A   " and resid 52   and name HN  ))
      4.300     2.300     1.700 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.57144E-03 ppm1      2.324 ppm2      8.642 CV     1
 OR { 2068}
   (( segid "A   " and resid 51   and name HG2 ))
   (( segid "A   " and resid 52   and name HN  ))
 ASSI { 2083}
   (( segid "A   " and resid 53   and name HG13))
   (  segid "A   " and resid 54   and name HB% )
      5.900     4.300     0.100 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.30840E-03 ppm1      0.800 ppm2      1.467 CV     1
 ASSI { 2111}
   (( segid "A   " and resid 57   and name HG2 ))
   (( segid "A   " and resid 58   and name HG2 ))
      5.600     3.900     0.400 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.20409E-03 ppm1      1.723 ppm2      2.500 CV     1
 OR { 2111}
   (( segid "A   " and resid 57   and name HG3 ))
   (( segid "A   " and resid 58   and name HG2 ))
 OR { 2111}
   (( segid "A   " and resid 57   and name HG2 ))
   (( segid "A   " and resid 58   and name HG3 ))
 OR { 2111}
   (( segid "A   " and resid 57   and name HG3 ))
   (( segid "A   " and resid 58   and name HG3 ))
 ASSI { 2127}
   (( segid "A   " and resid 71   and name HA  ))
   (  segid "A   " and resid 72   and name HG1%)
      4.200     2.200     1.800 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.87530E-03 ppm1      4.471 ppm2      0.946 CV     1
 OR { 2127}
   (( segid "A   " and resid 71   and name HA  ))
   (  segid "A   " and resid 72   and name HG2%)
 ASSI { 2128}
   (( segid "A   " and resid 71   and name HA  ))
   (( segid "A   " and resid 72   and name HN  ))
      2.900     1.000     1.000 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.47212E-02 ppm1      4.470 ppm2      8.090 CV     1
 ASSI { 2129}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 3    and name HN  ))
      4.400     2.400     1.600 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.34468E-03 ppm1      4.483 ppm2      8.534 CV     1
 ASSI { 2131}
   (( segid "A   " and resid 71   and name HB2 ))
   (( segid "A   " and resid 72   and name HN  ))
      4.300     2.300     1.700 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.44899E-03 ppm1      2.283 ppm2      8.090 CV     1
 OR { 2131}
   (( segid "A   " and resid 71   and name HB3 ))
   (( segid "A   " and resid 72   and name HN  ))
 ASSI { 2133}
   (( segid "A   " and resid 72   and name HA  ))
   (  segid "A   " and resid 73   and name HB% )
      4.900     3.000     1.100 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.53062E-03 ppm1      4.107 ppm2      1.418 CV     1
 ASSI { 2141}
   (( segid "A   " and resid 74   and name HB3 ))
   (( segid "A   " and resid 75   and name HA  ))
      4.200     2.200     1.800 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.86166E-03 ppm1      1.780 ppm2      4.553 CV     1
 OR { 2141}
   (( segid "A   " and resid 74   and name HB2 ))
   (( segid "A   " and resid 75   and name HA  ))
 ASSI { 2143}
   (( segid "A   " and resid 74   and name HB3 ))
   (( segid "A   " and resid 75   and name HN  ))
      4.400     2.500     1.600 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.44445E-03 ppm1      1.779 ppm2      8.065 CV     1
 OR { 2143}
   (( segid "A   " and resid 74   and name HB2 ))
   (( segid "A   " and resid 75   and name HN  ))
 ASSI {    3}
   (  segid "A   " and resid 32   and name HB% )
   (( segid "A   " and resid 37   and name HN  ))
      3.900     1.900     1.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.13141E-02 ppm1      1.490 ppm2      8.647 CV     1
 ASSI {    5}
   (  segid "A   " and resid 32   and name HB% )
   (( segid "A   " and resid 36   and name HN  ))
      4.600     2.600     1.400 peak     5 spectrum    1 weight  0.10000E+01 volume  0.10162E-02 ppm1      1.490 ppm2      7.430 CV     1
 ASSI {   11}
   (( segid "A   " and resid 22   and name HD1 ))
   (( segid "A   " and resid 24   and name HG2 ))
      3.900     1.900     1.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.18260E-02 ppm1      6.974 ppm2      2.324 CV     1
 OR {   11}
   (( segid "A   " and resid 22   and name HD1 ))
   (( segid "A   " and resid 24   and name HG3 ))
 ASSI {   12}
   (( segid "A   " and resid 22   and name HD1 ))
   (( segid "A   " and resid 24   and name HB2 ))
      3.300     1.300     1.300 peak    12 spectrum    1 weight  0.10000E+01 volume  0.18260E-02 ppm1      6.974 ppm2      1.881 CV     1
 OR {   12}
   (( segid "A   " and resid 22   and name HD1 ))
   (( segid "A   " and resid 24   and name HB3 ))
 ASSI {   53}
   (  segid "A   " and resid 53   and name HG2%)
   (( segid "A   " and resid 57   and name HN  ))
      4.400     2.400     1.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.44386E-03 ppm1      0.884 ppm2      8.326 CV     1
 ASSI {   54}
   (  segid "A   " and resid 53   and name HG2%)
   (( segid "A   " and resid 55   and name HN  ))
      5.000     3.100     1.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.40882E-03 ppm1      0.885 ppm2      7.694 CV     1
 ASSI {   75}
   (( segid "A   " and resid 22   and name HE3 ))
   (( segid "A   " and resid 31   and name HN  ))
      5.000     3.100     1.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.29591E-03 ppm1      7.090 ppm2      8.957 CV     1
 ASSI {   78}
   (( segid "A   " and resid 22   and name HH2 ))
   (( segid "A   " and resid 31   and name HN  ))
      5.000     3.100     1.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.33095E-03 ppm1      6.905 ppm2      8.959 CV     1
 ASSI {   94}
   (( segid "A   " and resid 22   and name HZ3 ))
   (( segid "A   " and resid 31   and name HG2 ))
      4.600     2.700     1.400 peak    94 spectrum    1 weight  0.10000E+01 volume  0.89938E-03 ppm1      6.740 ppm2      2.537 CV     1
 OR {   94}
   (( segid "A   " and resid 22   and name HZ3 ))
   (( segid "A   " and resid 31   and name HG3 ))
 ASSI {   95}
   (( segid "A   " and resid 22   and name HZ3 ))
   (( segid "A   " and resid 31   and name HB3 ))
      3.000     1.100     1.100 peak    95 spectrum    1 weight  0.10000E+01 volume  0.21862E-02 ppm1      6.741 ppm2      2.275 CV     1
 OR {   95}
   (( segid "A   " and resid 22   and name HZ3 ))
   (( segid "A   " and resid 31   and name HB2 ))
 ASSI {   97}
   (( segid "A   " and resid 22   and name HZ3 ))
   (  segid "A   " and resid 55   and name HD1%)
      3.900     3.900     2.100 peak    97 spectrum    1 weight  0.10000E+01 volume  0.27060E-03 ppm1      6.742 ppm2      0.845 CV     1
 ASSI {   99}
   (( segid "A   " and resid 22   and name HZ3 ))
   (( segid "A   " and resid 30   and name HA  ))
      3.900     1.900     1.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.86050E-03 ppm1      6.740 ppm2      5.855 CV     1
 ASSI {  102}
   (( segid "A   " and resid 22   and name HZ3 ))
   (( segid "A   " and resid 31   and name HN  ))
      3.500     1.500     1.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.11661E-02 ppm1      6.739 ppm2      8.965 CV     1
 ASSI {  103}
   (( segid "A   " and resid 22   and name HZ2 ))
   (( segid "A   " and resid 31   and name HB2 ))
      5.200     3.300     0.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.61712E-03 ppm1      7.268 ppm2      2.283 CV     1
 OR {  103}
   (( segid "A   " and resid 22   and name HZ2 ))
   (( segid "A   " and resid 31   and name HB3 ))
 ASSI {  105}
   (( segid "A   " and resid 22   and name HZ2 ))
   (( segid "A   " and resid 29   and name HD3 ))
      4.400     2.500     1.600 peak   105 spectrum    1 weight  0.10000E+01 volume  0.71835E-03 ppm1      7.268 ppm2      2.874 CV     1
 ASSI {  106}
   (( segid "A   " and resid 22   and name HZ2 ))
   (( segid "A   " and resid 29   and name HG2 ))
      4.300     2.300     1.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.47891E-03 ppm1      7.268 ppm2      1.084 CV     1
 OR {  106}
   (( segid "A   " and resid 22   and name HZ2 ))
   (( segid "A   " and resid 29   and name HG3 ))
 ASSI {  120}
   (( segid "A   " and resid 30   and name HZ  ))
   (( segid "A   " and resid 37   and name HG3 ))
      4.200     2.200     1.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.62296E-03 ppm1      7.280 ppm2      2.236 CV     1
 OR {  120}
   (( segid "A   " and resid 30   and name HZ  ))
   (( segid "A   " and resid 37   and name HG2 ))
 ASSI {  122}
   (( segid "A   " and resid 30   and name HZ  ))
   (  segid "A   " and resid 37   and name HE% )
      4.600     2.600     1.400 peak   122 spectrum    1 weight  0.10000E+01 volume  0.29396E-03 ppm1      7.276 ppm2      1.270 CV     1
 ASSI {  129}
   (( segid "A   " and resid 13   and name HE1 ))
   (  segid "A   " and resid 41   and name HD1%)
      2.700     0.900     0.900 peak   129 spectrum    1 weight  0.10000E+01 volume  0.54490E-02 ppm1      6.586 ppm2      0.955 CV     1
 ASSI {  130}
   (( segid "A   " and resid 13   and name HE1 ))
   (  segid "A   " and resid 17   and name HD1%)
      3.900     1.900     1.900 peak   130 spectrum    1 weight  0.10000E+01 volume  0.93448E-03 ppm1      6.588 ppm2      0.628 CV     1
 ASSI {  143}
   (( segid "A   " and resid 13   and name HD2 ))
   (  segid "A   " and resid 17   and name HD1%)
      4.000     2.000     2.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.92278E-03 ppm1      7.832 ppm2      0.634 CV     1
 ASSI {  156}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 30   and name HA  ))
      2.900     1.100     1.100 peak   156 spectrum    1 weight  0.10000E+01 volume  0.24704E-02 ppm1      5.585 ppm2      5.855 CV     1
 ASSI {  158}
   (( segid "A   " and resid 21   and name HA  ))
   (  segid "A   " and resid 30   and name HD% )
      4.600     2.700     1.400 peak   158 spectrum    1 weight  0.10000E+01 volume  0.62296E-03 ppm1      5.587 ppm2      6.743 CV     1
 ASSI {  159}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 31   and name HN  ))
      3.900     1.900     1.900 peak   159 spectrum    1 weight  0.10000E+01 volume  0.68136E-03 ppm1      5.585 ppm2      8.966 CV     1
 ASSI {  164}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 30   and name HB2 ))
      4.000     2.000     2.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.16080E-02 ppm1      5.586 ppm2      2.797 CV     1
 OR {  164}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 30   and name HB3 ))
 ASSI {  171}
   (( segid "A   " and resid 48   and name HA  ))
   (  segid "A   " and resid 52   and name HD1%)
      3.600     1.600     1.600 peak   171 spectrum    1 weight  0.10000E+01 volume  0.14601E-02 ppm1      4.943 ppm2      0.847 CV     1
 ASSI {  172}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 51   and name HG2 ))
      4.900     3.100     1.100 peak   172 spectrum    1 weight  0.10000E+01 volume  0.59765E-03 ppm1      4.944 ppm2      2.371 CV     1
 OR {  172}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 51   and name HG3 ))
 ASSI {  178}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 52   and name HN  ))
      4.700     2.800     1.300 peak   178 spectrum    1 weight  0.10000E+01 volume  0.37767E-03 ppm1      4.944 ppm2      8.634 CV     1
 ASSI {  179}
   (( segid "A   " and resid 48   and name HA  ))
   (( segid "A   " and resid 51   and name HN  ))
      4.300     2.300     1.700 peak   179 spectrum    1 weight  0.10000E+01 volume  0.96756E-03 ppm1      4.943 ppm2      8.229 CV     1
 ASSI {  183}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 56   and name HB2 ))
      3.500     1.500     1.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.14211E-02 ppm1      4.900 ppm2      1.914 CV     1
 OR {  183}
   (( segid "A   " and resid 22   and name HA  ))
   (( segid "A   " and resid 56   and name HB3 ))
 ASSI {  186}
   (( segid "A   " and resid 22   and name HA  ))
   (  segid "A   " and resid 56   and name HD2%)
      2.900     1.100     1.100 peak   186 spectrum    1 weight  0.10000E+01 volume  0.32316E-02 ppm1      4.900 ppm2      0.722 CV     1
 ASSI {  199}
   (( segid "A   " and resid 19   and name HA  ))
   (( segid "A   " and resid 32   and name HA  ))
      2.900     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.24490E-02 ppm1      4.247 ppm2      5.217 CV     1
 ASSI {  204}
   (( segid "A   " and resid 19   and name HA  ))
   (  segid "A   " and resid 32   and name HB% )
      3.100     1.200     1.200 peak   204 spectrum    1 weight  0.10000E+01 volume  0.26223E-02 ppm1      4.247 ppm2      1.488 CV     1
 ASSI {  212}
   (( segid "A   " and resid 33   and name HA  ))
   (  segid "A   " and resid 36   and name HG1%)
      4.500     2.500     1.500 peak   212 spectrum    1 weight  0.10000E+01 volume  0.93642E-03 ppm1      4.886 ppm2      0.975 CV     1
 ASSI {  218}
   (( segid "A   " and resid 34   and name HA  ))
   (  segid "A   " and resid 36   and name HG1%)
      4.800     2.900     1.200 peak   218 spectrum    1 weight  0.10000E+01 volume  0.42439E-03 ppm1      4.388 ppm2      0.970 CV     1
 ASSI {  220}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "B   " and resid 38   and name HA  ))
      5.000     3.200     1.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.15964E-03 ppm1      4.392 ppm2      4.751 CV     1
 ASSI {  221}
   (( segid "A   " and resid 34   and name HA  ))
   (( segid "A   " and resid 36   and name HN  ))
      4.400     2.400     1.600 peak   221 spectrum    1 weight  0.10000E+01 volume  0.59765E-03 ppm1      4.390 ppm2      7.429 CV     1
 ASSI {  224}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 54   and name HN  ))
      3.600     1.600     1.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.15554E-02 ppm1      4.317 ppm2      7.334 CV     1
 ASSI {  228}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 53   and name HB  ))
      2.800     1.000     1.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.36151E-02 ppm1      4.316 ppm2      1.877 CV     1
 ASSI {  231}
   (( segid "A   " and resid 50   and name HA  ))
   (  segid "A   " and resid 53   and name HD1%)
      2.700     0.900     0.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.47462E-02 ppm1      4.316 ppm2      0.817 CV     1
 ASSI {  247}
   (( segid "A   " and resid 22   and name HB2 ))
   (( segid "A   " and resid 24   and name HA  ))
      4.700     2.800     1.300 peak   247 spectrum    1 weight  0.10000E+01 volume  0.35626E-03 ppm1      3.417 ppm2      4.694 CV     1
 OR {  247}
   (( segid "A   " and resid 22   and name HB3 ))
   (( segid "A   " and resid 24   and name HA  ))
 ASSI {  250}
   (( segid "A   " and resid 22   and name HB3 ))
   (( segid "A   " and resid 56   and name HB2 ))
      4.000     2.000     2.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.63854E-03 ppm1      3.419 ppm2      1.549 CV     1
 OR {  250}
   (( segid "A   " and resid 22   and name HB2 ))
   (( segid "A   " and resid 56   and name HB2 ))
 OR {  250}
   (( segid "A   " and resid 22   and name HB3 ))
   (( segid "A   " and resid 56   and name HB3 ))
 ASSI {  253}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.11311E-02 ppm1      4.216 ppm2      8.360 CV     1
 ASSI {  263}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 13   and name HN  ))
      3.100     3.100     2.900 peak   263 spectrum    1 weight  0.10000E+01 volume  0.33407E-02 ppm1      3.899 ppm2      8.361 CV     1
 ASSI {  264}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 14   and name HN  ))
      3.800     1.800     1.800 peak   264 spectrum    1 weight  0.10000E+01 volume  0.73004E-03 ppm1      3.901 ppm2      8.822 CV     1
 ASSI {  265}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 15   and name HN  ))
      3.800     1.800     1.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.81766E-03 ppm1      3.904 ppm2      8.662 CV     1
 ASSI {  268}
   (( segid "A   " and resid 11   and name HA  ))
   (  segid "A   " and resid 14   and name HB% )
      2.800     1.000     1.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.40181E-02 ppm1      3.899 ppm2      1.417 CV     1
 ASSI {  270}
   (( segid "A   " and resid 45   and name HA  ))
   (( segid "A   " and resid 48   and name HN  ))
      4.300     2.400     1.700 peak   270 spectrum    1 weight  0.10000E+01 volume  0.59765E-03 ppm1      3.857 ppm2      7.307 CV     1
 ASSI {  276}
   (( segid "A   " and resid 45   and name HA  ))
   (  segid "A   " and resid 48   and name HB% )
      3.200     3.200     2.800 peak   276 spectrum    1 weight  0.10000E+01 volume  0.32452E-02 ppm1      3.864 ppm2      1.401 CV     1
 ASSI {  297}
   (  segid "A   " and resid 21   and name HD1%)
   (( segid "A   " and resid 30   and name HB2 ))
      3.400     1.500     1.500 peak   297 spectrum    1 weight  0.10000E+01 volume  0.53030E-02 ppm1      0.862 ppm2      2.791 CV     1
 OR {  297}
   (  segid "A   " and resid 21   and name HD1%)
   (( segid "A   " and resid 30   and name HB3 ))
 ASSI {  299}
   (  segid "A   " and resid 21   and name HD1%)
   (( segid "A   " and resid 30   and name HA  ))
      4.000     2.000     2.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.17365E-02 ppm1      0.862 ppm2      5.855 CV     1
 ASSI {  301}
   (  segid "A   " and resid 21   and name HD1%)
   (( segid "A   " and resid 31   and name HN  ))
      4.000     2.000     2.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.81177E-03 ppm1      0.861 ppm2      8.957 CV     1
 ASSI {  308}
   (  segid "A   " and resid 10   and name HD2%)
   (( segid "A   " and resid 48   and name HN  ))
      4.000     2.000     2.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.72225E-03 ppm1      0.808 ppm2      7.307 CV     1
 ASSI {  395}
   (( segid "A   " and resid 22   and name HZ3 ))
   (( segid "A   " and resid 31   and name HA  ))
      5.800     4.100     0.200 peak   395 spectrum    1 weight  0.10000E+01 volume  0.22777E-03 ppm1      6.740 ppm2      4.720 CV     1
 ASSI {  398}
   (( segid "A   " and resid 22   and name HZ3 ))
   (( segid "A   " and resid 30   and name HB2 ))
      5.300     3.500     0.700 peak   398 spectrum    1 weight  0.10000E+01 volume  0.25503E-03 ppm1      6.743 ppm2      2.808 CV     1
 OR {  398}
   (( segid "A   " and resid 22   and name HZ3 ))
   (( segid "A   " and resid 30   and name HB3 ))
 ASSI {  403}
   (  segid "A   " and resid 17   and name HD1%)
   (( segid "A   " and resid 33   and name HD3 ))
      5.400     3.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.32511E-03 ppm1      0.631 ppm2      3.983 CV     1
 ASSI {  407}
   (  segid "A   " and resid 17   and name HD1%)
   (( segid "A   " and resid 41   and name HB2 ))
      4.200     2.200     1.800 peak   407 spectrum    1 weight  0.10000E+01 volume  0.11116E-02 ppm1      0.630 ppm2      1.960 CV     1
 OR {  407}
   (  segid "A   " and resid 17   and name HD1%)
   (( segid "A   " and resid 41   and name HB3 ))
 ASSI {  422}
   (  segid "A   " and resid 17   and name HD2%)
   (( segid "A   " and resid 19   and name HN  ))
      4.300     2.400     1.700 peak   422 spectrum    1 weight  0.10000E+01 volume  0.16236E-02 ppm1      0.804 ppm2      7.846 CV     1
 ASSI {  425}
   (( segid "A   " and resid 55   and name HA  ))
   (( segid "A   " and resid 58   and name HB3 ))
      3.300     1.400     1.400 peak   425 spectrum    1 weight  0.10000E+01 volume  0.16373E-02 ppm1      4.150 ppm2      2.528 CV     1
 OR {  425}
   (( segid "A   " and resid 55   and name HA  ))
   (( segid "A   " and resid 58   and name HB2 ))
 ASSI {  436}
   (( segid "A   " and resid 24   and name HB3 ))
   (( segid "A   " and resid 29   and name HB2 ))
      5.300     3.500     0.700 peak   436 spectrum    1 weight  0.10000E+01 volume  0.21025E-03 ppm1      1.964 ppm2     -0.475 CV     1
 OR {  436}
   (( segid "A   " and resid 24   and name HB2 ))
   (( segid "A   " and resid 29   and name HB2 ))
 OR {  436}
   (( segid "A   " and resid 24   and name HB3 ))
   (( segid "A   " and resid 29   and name HB3 ))
 ASSI {  448}
   (( segid "A   " and resid 33   and name HD2 ))
   (( segid "A   " and resid 36   and name HN  ))
      6.000     5.100     0.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.35042E-03 ppm1      3.251 ppm2      7.442 CV     1
 ASSI {  459}
   (( segid "A   " and resid 33   and name HD3 ))
   (  segid "A   " and resid 36   and name HG2%)
      3.900     1.900     1.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.39520E-02 ppm1      3.991 ppm2      0.914 CV     1
 ASSI {  460}
   (( segid "A   " and resid 33   and name HD2 ))
   (  segid "A   " and resid 36   and name HG1%)
      3.000     1.200     1.200 peak   460 spectrum    1 weight  0.10000E+01 volume  0.57780E-02 ppm1      3.247 ppm2      0.995 CV     1
 ASSI {  465}
   (( segid "A   " and resid 33   and name HB2 ))
   (( segid "A   " and resid 36   and name HN  ))
      5.300     3.500     0.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.19273E-03 ppm1      2.630 ppm2      7.424 CV     1
 OR {  465}
   (( segid "A   " and resid 33   and name HB3 ))
   (( segid "A   " and resid 36   and name HN  ))
 ASSI {  470}
   (( segid "A   " and resid 33   and name HB2 ))
   (  segid "A   " and resid 36   and name HG1%)
      3.300     1.300     1.300 peak   470 spectrum    1 weight  0.10000E+01 volume  0.20811E-02 ppm1      2.632 ppm2      0.984 CV     1
 OR {  470}
   (( segid "A   " and resid 33   and name HB3 ))
   (  segid "A   " and resid 36   and name HG1%)
 ASSI {  481}
   (( segid "A   " and resid 33   and name HG2 ))
   (  segid "A   " and resid 36   and name HG1%)
      3.200     1.300     1.300 peak   481 spectrum    1 weight  0.10000E+01 volume  0.27216E-02 ppm1      2.294 ppm2      1.001 CV     1
 OR {  481}
   (( segid "A   " and resid 33   and name HG3 ))
   (  segid "A   " and resid 36   and name HG1%)
 ASSI {  493}
   (( segid "A   " and resid 33   and name HG2 ))
   (( segid "A   " and resid 36   and name HN  ))
      6.000     6.000     0.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.13627E-03 ppm1      2.296 ppm2      7.451 CV     1
 OR {  493}
   (( segid "A   " and resid 33   and name HG3 ))
   (( segid "A   " and resid 36   and name HN  ))
 ASSI {  495}
   (  segid "A   " and resid 32   and name HB% )
   (  segid "A   " and resid 45   and name HD1%)
      6.000     5.000     0.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.12654E-03 ppm1      1.489 ppm2      0.399 CV     1
 ASSI {  506}
   (  segid "A   " and resid 32   and name HB% )
   (( segid "A   " and resid 34   and name HD3 ))
      5.100     3.200     0.900 peak   506 spectrum    1 weight  0.10000E+01 volume  0.27060E-03 ppm1      1.496 ppm2      3.738 CV     1
 ASSI {  511}
   (( segid "A   " and resid 34   and name HD3 ))
   (  segid "A   " and resid 36   and name HG1%)
      3.700     3.700     2.300 peak   511 spectrum    1 weight  0.10000E+01 volume  0.35042E-03 ppm1      3.695 ppm2      0.996 CV     1
 ASSI {  528}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "A   " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak   528 spectrum    1 weight  0.10000E+01 volume  0.24315E-02 ppm1      4.478 ppm2      7.849 CV     1
 ASSI {  530}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "A   " and resid 17   and name HN  ))
      4.200     2.200     1.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.55093E-03 ppm1      4.479 ppm2      7.308 CV     1
 ASSI {  531}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "A   " and resid 58   and name HE22))
      4.000     2.000     2.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.47112E-03 ppm1      4.480 ppm2      6.754 CV     1
 ASSI {  539}
   (( segid "A   " and resid 37   and name HA  ))
   (  segid "A   " and resid 41   and name HD2%)
      2.800     1.000     1.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.30389E-02 ppm1      4.634 ppm2      0.927 CV     1
 ASSI {  544}
   (( segid "A   " and resid 38   and name HB  ))
   (( segid "A   " and resid 40   and name HG2 ))
      4.700     2.800     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.58987E-03 ppm1      4.767 ppm2      2.282 CV     1
 OR {  544}
   (( segid "A   " and resid 38   and name HB  ))
   (( segid "A   " and resid 40   and name HG3 ))
 ASSI {  546}
   (( segid "A   " and resid 38   and name HB  ))
   (( segid "A   " and resid 40   and name HN  ))
      4.600     2.700     1.400 peak   546 spectrum    1 weight  0.10000E+01 volume  0.18494E-03 ppm1      4.764 ppm2      8.473 CV     1
 ASSI {  568}
   (( segid "A   " and resid 39   and name HB3 ))
   (( segid "A   " and resid 42   and name HN  ))
      4.200     2.200     1.800 peak   568 spectrum    1 weight  0.10000E+01 volume  0.89938E-03 ppm1      2.423 ppm2      8.622 CV     1
 OR {  568}
   (( segid "A   " and resid 39   and name HB2 ))
   (( segid "A   " and resid 42   and name HN  ))
 ASSI {  572}
   (( segid "A   " and resid 39   and name HA  ))
   (  segid "A   " and resid 41   and name HD2%)
      5.300     3.500     0.700 peak   572 spectrum    1 weight  0.10000E+01 volume  0.20636E-03 ppm1      4.288 ppm2      0.948 CV     1
 ASSI {  573}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 42   and name HA  ))
      5.400     3.700     0.600 peak   573 spectrum    1 weight  0.10000E+01 volume  0.30175E-03 ppm1      4.288 ppm2      3.638 CV     1
 ASSI {  577}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 41   and name HN  ))
      4.800     2.900     1.200 peak   577 spectrum    1 weight  0.10000E+01 volume  0.24529E-03 ppm1      4.285 ppm2      7.846 CV     1
 ASSI {  578}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 43   and name HN  ))
      4.400     2.400     1.600 peak   578 spectrum    1 weight  0.10000E+01 volume  0.55677E-03 ppm1      4.288 ppm2      8.252 CV     1
 ASSI {  579}
   (( segid "A   " and resid 39   and name HA  ))
   (( segid "A   " and resid 42   and name HN  ))
      3.600     1.600     1.600 peak   579 spectrum    1 weight  0.10000E+01 volume  0.11175E-02 ppm1      4.287 ppm2      8.623 CV     1
 ASSI {  585}
   (( segid "A   " and resid 43   and name HB3 ))
   (( segid "A   " and resid 45   and name HN  ))
      6.000     6.000     0.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.35042E-04 ppm1      4.026 ppm2      8.469 CV     1
 OR {  585}
   (( segid "A   " and resid 43   and name HB2 ))
   (( segid "A   " and resid 45   and name HN  ))
 ASSI {  609}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 54   and name HN  ))
      4.600     2.600     1.400 peak   609 spectrum    1 weight  0.10000E+01 volume  0.32900E-03 ppm1      4.041 ppm2      7.345 CV     1
 ASSI {  627}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 55   and name HN  ))
      4.400     2.500     1.600 peak   627 spectrum    1 weight  0.10000E+01 volume  0.39324E-03 ppm1      3.502 ppm2      7.702 CV     1
 ASSI {  630}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 57   and name HN  ))
      4.200     2.200     1.800 peak   630 spectrum    1 weight  0.10000E+01 volume  0.48085E-03 ppm1      3.503 ppm2      8.319 CV     1
 ASSI {  633}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 14   and name HN  ))
      3.700     1.800     1.800 peak   633 spectrum    1 weight  0.10000E+01 volume  0.81766E-03 ppm1      4.187 ppm2      8.824 CV     1
 ASSI {  634}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 13   and name HE1 ))
      5.000     3.100     1.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.31537E-03 ppm1      4.187 ppm2      6.587 CV     1
 ASSI {  635}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 13   and name HB3 ))
      3.000     1.100     1.100 peak   635 spectrum    1 weight  0.10000E+01 volume  0.41057E-02 ppm1      4.187 ppm2      3.308 CV     1
 OR {  635}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 13   and name HB2 ))
 ASSI {  638}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 13   and name HB3 ))
      5.100     3.300     0.900 peak   638 spectrum    1 weight  0.10000E+01 volume  0.21414E-03 ppm1      4.224 ppm2      3.296 CV     1
 OR {  638}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 13   and name HB2 ))
 ASSI {  642}
   (  segid "A   " and resid 9    and name HB% )
   (( segid "A   " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak   642 spectrum    1 weight  0.10000E+01 volume  0.24704E-02 ppm1      1.498 ppm2      8.351 CV     1
 ASSI {  645}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 60   and name HE22))
      5.600     3.900     0.400 peak   645 spectrum    1 weight  0.10000E+01 volume  0.17326E-03 ppm1      4.097 ppm2      6.972 CV     1
 ASSI {  692}
   (( segid "A   " and resid 41   and name HB3 ))
   (  segid "A   " and resid 45   and name HD1%)
      5.300     3.500     0.700 peak   692 spectrum    1 weight  0.10000E+01 volume  0.43413E-03 ppm1      1.978 ppm2      0.400 CV     1
 OR {  692}
   (( segid "A   " and resid 41   and name HB2 ))
   (  segid "A   " and resid 45   and name HD1%)
 ASSI {  706}
   (( segid "A   " and resid 52   and name HB2 ))
   (( segid "A   " and resid 54   and name HN  ))
      5.500     3.800     0.500 peak   706 spectrum    1 weight  0.10000E+01 volume  0.21414E-03 ppm1      2.005 ppm2      7.349 CV     1
 OR {  706}
   (( segid "A   " and resid 52   and name HB3 ))
   (( segid "A   " and resid 54   and name HN  ))
 ASSI {  719}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 45   and name HN  ))
      6.000     5.800     0.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.95392E-04 ppm1      1.260 ppm2      8.407 CV     1
 ASSI {  724}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 42   and name HA  ))
      4.000     2.000     2.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.10181E-02 ppm1      1.262 ppm2      3.642 CV     1
 ASSI {  732}
   (  segid "A   " and resid 37   and name HE% )
   (  segid "A   " and resid 45   and name HD2%)
      5.600     3.900     0.400 peak   732 spectrum    1 weight  0.10000E+01 volume  0.15964E-03 ppm1      1.263 ppm2      0.627 CV     1
 ASSI {  733}
   (  segid "A   " and resid 37   and name HE% )
   (  segid "A   " and resid 45   and name HD1%)
      2.600     0.900     0.900 peak   733 spectrum    1 weight  0.10000E+01 volume  0.49643E-02 ppm1      1.263 ppm2      0.405 CV     1
 ASSI {  736}
   (( segid "A   " and resid 30   and name HB2 ))
   (  segid "A   " and resid 37   and name HE% )
      6.000     4.900     0.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.10318E-03 ppm1      2.794 ppm2      1.265 CV     1
 OR {  736}
   (( segid "A   " and resid 30   and name HB3 ))
   (  segid "A   " and resid 37   and name HE% )
 ASSI {  739}
   (( segid "A   " and resid 42   and name HA  ))
   (  segid "A   " and resid 45   and name HD2%)
      6.000     4.400     0.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.27449E-03 ppm1      3.635 ppm2      0.629 CV     1
 ASSI {  740}
   (( segid "A   " and resid 42   and name HA  ))
   (  segid "A   " and resid 45   and name HD1%)
      3.000     1.100     1.100 peak   740 spectrum    1 weight  0.10000E+01 volume  0.22855E-02 ppm1      3.633 ppm2      0.402 CV     1
 ASSI {  743}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 45   and name HB2 ))
      3.200     1.200     1.200 peak   743 spectrum    1 weight  0.10000E+01 volume  0.24198E-02 ppm1      3.633 ppm2      1.727 CV     1
 OR {  743}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 45   and name HB3 ))
 ASSI {  748}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 44   and name HN  ))
      4.500     2.600     1.500 peak   748 spectrum    1 weight  0.10000E+01 volume  0.31927E-03 ppm1      3.633 ppm2      8.033 CV     1
 ASSI {  752}
   (( segid "A   " and resid 42   and name HA  ))
   (( segid "A   " and resid 45   and name HN  ))
      3.600     1.700     1.700 peak   752 spectrum    1 weight  0.10000E+01 volume  0.94029E-03 ppm1      3.633 ppm2      8.416 CV     1
 ASSI {  757}
   (( segid "A   " and resid 42   and name HB3 ))
   (( segid "A   " and resid 44   and name HN  ))
      6.000     4.800     0.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.13627E-03 ppm1      2.070 ppm2      8.019 CV     1
 OR {  757}
   (( segid "A   " and resid 42   and name HB2 ))
   (( segid "A   " and resid 44   and name HN  ))
 ASSI {  762}
   (( segid "A   " and resid 42   and name HB2 ))
   (  segid "A   " and resid 45   and name HD1%)
      5.100     3.300     0.900 peak   762 spectrum    1 weight  0.10000E+01 volume  0.44192E-03 ppm1      2.073 ppm2      0.400 CV     1
 OR {  762}
   (( segid "A   " and resid 42   and name HB3 ))
   (  segid "A   " and resid 45   and name HD1%)
 ASSI {  784}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "A   " and resid 58   and name HE21))
      3.100     1.200     1.200 peak   784 spectrum    1 weight  0.10000E+01 volume  0.52543E-02 ppm1      4.482 ppm2      7.186 CV     1
 ASSI {  785}
   (  segid "A   " and resid 15   and name HB% )
   (( segid "A   " and resid 58   and name HE22))
      4.700     2.800     1.300 peak   785 spectrum    1 weight  0.10000E+01 volume  0.31149E-03 ppm1      1.542 ppm2      6.758 CV     1
 ASSI {  786}
   (  segid "A   " and resid 15   and name HB% )
   (( segid "A   " and resid 58   and name HE21))
      5.400     3.600     0.600 peak   786 spectrum    1 weight  0.10000E+01 volume  0.19857E-03 ppm1      1.544 ppm2      7.180 CV     1
 ASSI {  788}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 17   and name HN  ))
      3.600     1.700     1.700 peak   788 spectrum    1 weight  0.10000E+01 volume  0.87994E-03 ppm1      3.747 ppm2      7.321 CV     1
 ASSI {  789}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 16   and name HN  ))
      4.700     2.700     1.300 peak   789 spectrum    1 weight  0.10000E+01 volume  0.29980E-03 ppm1      3.749 ppm2      8.147 CV     1
 ASSI {  790}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 18   and name HN  ))
      4.100     2.100     1.900 peak   790 spectrum    1 weight  0.10000E+01 volume  0.74950E-03 ppm1      3.747 ppm2      7.860 CV     1
 ASSI {  797}
   (  segid "A   " and resid 10   and name HD2%)
   (( segid "A   " and resid 13   and name HE1 ))
      5.900     4.400     0.100 peak   797 spectrum    1 weight  0.10000E+01 volume  0.15379E-03 ppm1      0.809 ppm2      6.580 CV     1
 ASSI {  799}
   (  segid "A   " and resid 14   and name HB% )
   (( segid "A   " and resid 17   and name HN  ))
      5.100     3.200     0.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.33679E-03 ppm1      1.411 ppm2      7.318 CV     1
 ASSI {  801}
   (  segid "A   " and resid 14   and name HB% )
   (( segid "A   " and resid 16   and name HN  ))
      5.500     3.800     0.500 peak   801 spectrum    1 weight  0.10000E+01 volume  0.28422E-03 ppm1      1.408 ppm2      8.151 CV     1
 ASSI {  808}
   (  segid "A   " and resid 14   and name HB% )
   (( segid "A   " and resid 19   and name HB  ))
      2.800     1.000     1.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.41680E-02 ppm1      1.408 ppm2      1.903 CV     1
 ASSI {  809}
   (  segid "A   " and resid 14   and name HB% )
   (  segid "A   " and resid 19   and name HG2%)
      2.500     0.800     0.800 peak   809 spectrum    1 weight  0.10000E+01 volume  0.17443E-01 ppm1      1.408 ppm2      0.869 CV     1
 OR {  809}
   (  segid "A   " and resid 14   and name HB% )
   (  segid "A   " and resid 19   and name HG1%)
 ASSI {  811}
   (  segid "A   " and resid 14   and name HB% )
   (  segid "A   " and resid 45   and name HD1%)
      3.800     1.800     1.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.16469E-02 ppm1      1.408 ppm2      0.399 CV     1
 ASSI {  821}
   (( segid "A   " and resid 22   and name HD1 ))
   (( segid "A   " and resid 29   and name HD3 ))
      5.200     3.400     0.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.19078E-03 ppm1      6.974 ppm2      2.869 CV     1
 OR {  821}
   (( segid "A   " and resid 22   and name HD1 ))
   (( segid "A   " and resid 29   and name HD2 ))
 ASSI {  823}
   (( segid "A   " and resid 22   and name HD1 ))
   (( segid "A   " and resid 29   and name HB2 ))
      4.700     2.800     1.300 peak   823 spectrum    1 weight  0.10000E+01 volume  0.26281E-03 ppm1      6.974 ppm2     -0.462 CV     1
 OR {  823}
   (( segid "A   " and resid 22   and name HD1 ))
   (( segid "A   " and resid 29   and name HB3 ))
 ASSI {  830}
   (( segid "A   " and resid 22   and name HH2 ))
   (( segid "A   " and resid 30   and name HA  ))
      5.000     3.200     1.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.24724E-03 ppm1      6.909 ppm2      5.858 CV     1
 ASSI {  831}
   (( segid "A   " and resid 22   and name HH2 ))
   (( segid "A   " and resid 31   and name HA  ))
      5.900     4.400     0.100 peak   831 spectrum    1 weight  0.10000E+01 volume  0.16742E-03 ppm1      6.906 ppm2      4.726 CV     1
 ASSI {  834}
   (( segid "A   " and resid 22   and name HH2 ))
   (( segid "A   " and resid 30   and name HB3 ))
      5.000     3.200     1.000 peak   834 spectrum    1 weight  0.10000E+01 volume  0.28228E-03 ppm1      6.907 ppm2      2.835 CV     1
 OR {  834}
   (( segid "A   " and resid 22   and name HH2 ))
   (( segid "A   " and resid 30   and name HB2 ))
 ASSI {  835}
   (( segid "A   " and resid 22   and name HH2 ))
   (( segid "A   " and resid 29   and name HB3 ))
      4.700     2.800     1.300 peak   835 spectrum    1 weight  0.10000E+01 volume  0.23750E-03 ppm1      6.906 ppm2      0.254 CV     1
 OR {  835}
   (( segid "A   " and resid 22   and name HH2 ))
   (( segid "A   " and resid 29   and name HB2 ))
 ASSI {  841}
   (( segid "A   " and resid 22   and name HE3 ))
   (( segid "A   " and resid 31   and name HG2 ))
      6.000     5.000     0.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.20051E-03 ppm1      7.087 ppm2      2.525 CV     1
 OR {  841}
   (( segid "A   " and resid 22   and name HE3 ))
   (( segid "A   " and resid 31   and name HG3 ))
 ASSI {  842}
   (( segid "A   " and resid 22   and name HZ2 ))
   (( segid "A   " and resid 29   and name HA  ))
      6.000     5.000     0.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.14406E-03 ppm1      7.269 ppm2      4.368 CV     1
 ASSI {  856}
   (( segid "A   " and resid 8    and name HA1 ))
   (  segid "A   " and resid 11   and name HD1%)
      3.200     1.300     1.300 peak   856 spectrum    1 weight  0.10000E+01 volume  0.26301E-02 ppm1      3.555 ppm2      0.880 CV     1
 ASSI {  864}
   (( segid "A   " and resid 11   and name HB3 ))
   (( segid "A   " and resid 13   and name HN  ))
      3.400     3.400     2.600 peak   864 spectrum    1 weight  0.10000E+01 volume  0.43938E-02 ppm1      1.879 ppm2      8.334 CV     1
 OR {  864}
   (( segid "A   " and resid 11   and name HB2 ))
   (( segid "A   " and resid 13   and name HN  ))
 ASSI {  867}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 15   and name HN  ))
      3.500     1.500     1.500 peak   867 spectrum    1 weight  0.10000E+01 volume  0.13062E-02 ppm1      4.091 ppm2      8.657 CV     1
 ASSI {  869}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 16   and name HN  ))
      4.500     2.600     1.500 peak   869 spectrum    1 weight  0.10000E+01 volume  0.30175E-03 ppm1      4.094 ppm2      8.166 CV     1
 ASSI {  881}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak   881 spectrum    1 weight  0.10000E+01 volume  0.66969E-03 ppm1      4.426 ppm2      8.153 CV     1
 ASSI {  883}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 15   and name HN  ))
      3.500     1.500     1.500 peak   883 spectrum    1 weight  0.10000E+01 volume  0.18339E-02 ppm1      4.429 ppm2      8.659 CV     1
 ASSI {  885}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 14   and name HN  ))
      4.400     2.400     1.600 peak   885 spectrum    1 weight  0.10000E+01 volume  0.50616E-03 ppm1      4.089 ppm2      8.828 CV     1
 ASSI {  886}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 56   and name HN  ))
      3.800     1.800     1.800 peak   886 spectrum    1 weight  0.10000E+01 volume  0.10941E-02 ppm1      4.060 ppm2      8.671 CV     1
 ASSI {  887}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 57   and name HN  ))
      2.700     0.900     0.900 peak   887 spectrum    1 weight  0.10000E+01 volume  0.71115E-02 ppm1      4.060 ppm2      8.341 CV     1
 ASSI {  888}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 44   and name HN  ))
      3.600     1.600     1.600 peak   888 spectrum    1 weight  0.10000E+01 volume  0.91891E-03 ppm1      4.099 ppm2      8.026 CV     1
 ASSI {  889}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 45   and name HN  ))
      4.300     2.400     1.700 peak   889 spectrum    1 weight  0.10000E+01 volume  0.45944E-03 ppm1      4.102 ppm2      8.427 CV     1
 ASSI {  890}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 43   and name HN  ))
      4.800     2.900     1.200 peak   890 spectrum    1 weight  0.10000E+01 volume  0.22193E-03 ppm1      4.101 ppm2      8.256 CV     1
 ASSI {  894}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 44   and name HD2 ))
      3.900     1.900     1.900 peak   894 spectrum    1 weight  0.10000E+01 volume  0.87994E-03 ppm1      4.099 ppm2      3.126 CV     1
 OR {  894}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 44   and name HD3 ))
 ASSI {  895}
   (( segid "A   " and resid 41   and name HA  ))
   (  segid "A   " and resid 45   and name HD1%)
      5.200     3.400     0.800 peak   895 spectrum    1 weight  0.10000E+01 volume  0.30564E-03 ppm1      4.104 ppm2      0.401 CV     1
 ASSI {  896}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 43   and name HN  ))
      3.400     1.500     1.500 peak   896 spectrum    1 weight  0.10000E+01 volume  0.13160E-02 ppm1      4.062 ppm2      8.255 CV     1
 ASSI {  899}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 44   and name HN  ))
      4.300     2.300     1.700 peak   899 spectrum    1 weight  0.10000E+01 volume  0.45749E-03 ppm1      4.059 ppm2      8.023 CV     1
 ASSI {  900}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 42   and name HN  ))
      2.700     2.700     3.300 peak   900 spectrum    1 weight  0.10000E+01 volume  0.78766E-02 ppm1      4.062 ppm2      8.639 CV     1
 ASSI {  901}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 58   and name HN  ))
      3.000     1.100     1.100 peak   901 spectrum    1 weight  0.10000E+01 volume  0.30506E-02 ppm1      4.024 ppm2      7.658 CV     1
 ASSI {  904}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 55   and name HN  ))
      4.100     2.100     1.900 peak   904 spectrum    1 weight  0.10000E+01 volume  0.48085E-03 ppm1      4.150 ppm2      7.705 CV     1
 ASSI {  905}
   (( segid "A   " and resid 51   and name HA  ))
   (( segid "A   " and resid 54   and name HN  ))
      3.400     1.500     1.500 peak   905 spectrum    1 weight  0.10000E+01 volume  0.12712E-02 ppm1      4.153 ppm2      7.351 CV     1
 ASSI {  906}
   (( segid "A   " and resid 50   and name HA  ))
   (( segid "A   " and resid 52   and name HN  ))
      4.300     2.300     1.700 peak   906 spectrum    1 weight  0.10000E+01 volume  0.38740E-03 ppm1      4.315 ppm2      8.648 CV     1
 ASSI {  907}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 51   and name HN  ))
      4.600     2.600     1.400 peak   907 spectrum    1 weight  0.10000E+01 volume  0.35820E-03 ppm1      3.876 ppm2      8.221 CV     1
 ASSI {  909}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 52   and name HN  ))
      3.400     1.400     1.400 peak   909 spectrum    1 weight  0.10000E+01 volume  0.17404E-02 ppm1      3.878 ppm2      8.622 CV     1
 ASSI {  937}
   (( segid "A   " and resid 13   and name HA  ))
   (  segid "A   " and resid 17   and name HD1%)
      5.000     3.100     1.000 peak   937 spectrum    1 weight  0.10000E+01 volume  0.29591E-03 ppm1      4.423 ppm2      0.632 CV     1
 ASSI {  938}
   (( segid "A   " and resid 13   and name HA  ))
   (( segid "A   " and resid 17   and name HN  ))
      4.600     2.600     1.400 peak   938 spectrum    1 weight  0.10000E+01 volume  0.30369E-03 ppm1      4.425 ppm2      7.312 CV     1
 ASSI {  946}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 19   and name HB  ))
      3.300     1.300     1.300 peak   946 spectrum    1 weight  0.10000E+01 volume  0.18786E-02 ppm1      3.747 ppm2      1.883 CV     1
 ASSI {  947}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 17   and name HB2 ))
      3.200     1.300     1.300 peak   947 spectrum    1 weight  0.10000E+01 volume  0.18164E-02 ppm1      3.748 ppm2      1.781 CV     1
 OR {  947}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 17   and name HB3 ))
 ASSI {  949}
   (( segid "A   " and resid 14   and name HA  ))
   (  segid "A   " and resid 19   and name HG2%)
      2.800     0.900     0.900 peak   949 spectrum    1 weight  0.10000E+01 volume  0.45223E-02 ppm1      3.748 ppm2      0.883 CV     1
 ASSI {  950}
   (( segid "A   " and resid 14   and name HA  ))
   (  segid "A   " and resid 17   and name HD1%)
      3.000     1.200     1.200 peak   950 spectrum    1 weight  0.10000E+01 volume  0.28539E-02 ppm1      3.747 ppm2      0.632 CV     1
 ASSI {  951}
   (( segid "A   " and resid 14   and name HA  ))
   (  segid "A   " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.10707E-03 ppm1      3.748 ppm2      0.394 CV     1
 ASSI {  956}
   (( segid "A   " and resid 17   and name HB2 ))
   (( segid "A   " and resid 19   and name HN  ))
      3.700     1.700     1.700 peak   956 spectrum    1 weight  0.10000E+01 volume  0.82153E-03 ppm1      1.764 ppm2      7.848 CV     1
 OR {  956}
   (( segid "A   " and resid 17   and name HB3 ))
   (( segid "A   " and resid 19   and name HN  ))
 ASSI {  965}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 44   and name HG3 ))
      2.600     0.800     0.800 peak   965 spectrum    1 weight  0.10000E+01 volume  0.54684E-02 ppm1      4.099 ppm2      1.956 CV     1
 OR {  965}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 44   and name HG2 ))
 ASSI {  969}
   (( segid "A   " and resid 41   and name HA  ))
   (  segid "A   " and resid 45   and name HD2%)
      5.400     3.700     0.600 peak   969 spectrum    1 weight  0.10000E+01 volume  0.24529E-03 ppm1      4.094 ppm2      0.629 CV     1
 ASSI {  976}
   (( segid "A   " and resid 49   and name HA  ))
   (  segid "A   " and resid 52   and name HD1%)
      2.600     0.800     0.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.74522E-02 ppm1      3.879 ppm2      0.833 CV     1
 ASSI {  978}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 52   and name HB2 ))
      3.200     1.300     1.300 peak   978 spectrum    1 weight  0.10000E+01 volume  0.19429E-02 ppm1      3.881 ppm2      1.235 CV     1
 OR {  978}
   (( segid "A   " and resid 49   and name HA  ))
   (( segid "A   " and resid 52   and name HB3 ))
 ASSI {  988}
   (( segid "A   " and resid 53   and name HB  ))
   (( segid "A   " and resid 55   and name HN  ))
      5.600     3.900     0.400 peak   988 spectrum    1 weight  0.10000E+01 volume  0.27060E-03 ppm1      1.870 ppm2      7.714 CV     1
 ASSI {  995}
   (( segid "A   " and resid 51   and name HA  ))
   (  segid "A   " and resid 54   and name HB% )
      2.800     1.000     1.000 peak   995 spectrum    1 weight  0.10000E+01 volume  0.49117E-02 ppm1      4.153 ppm2      1.495 CV     1
 ASSI { 1026}
   (( segid "A   " and resid 70   and name HA  ))
   (( segid "A   " and resid 72   and name HB  ))
      4.400     2.400     1.600 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.61128E-03 ppm1      4.604 ppm2      2.026 CV     1
 ASSI { 1028}
   (  segid "A   " and resid 38   and name HG2%)
   (( segid "A   " and resid 42   and name HN  ))
      5.100     3.300     0.900 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.34847E-03 ppm1      1.371 ppm2      8.639 CV     1
 ASSI { 1029}
   (  segid "A   " and resid 38   and name HG2%)
   (( segid "A   " and resid 40   and name HN  ))
      5.200     3.400     0.800 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.31149E-03 ppm1      1.372 ppm2      8.466 CV     1
 ASSI { 1030}
   (  segid "A   " and resid 38   and name HG2%)
   (( segid "A   " and resid 41   and name HN  ))
      4.800     2.900     1.200 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.42245E-03 ppm1      1.372 ppm2      7.840 CV     1
 ASSI { 1035}
   (( segid "A   " and resid 17   and name HG  ))
   (( segid "A   " and resid 19   and name HN  ))
      4.900     3.000     1.100 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.59571E-03 ppm1      1.535 ppm2      7.848 CV     1
 ASSI { 1050}
   (( segid "A   " and resid 19   and name HB  ))
   (( segid "A   " and resid 32   and name HA  ))
      5.600     3.900     0.400 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.24335E-03 ppm1      1.899 ppm2      5.215 CV     1
 ASSI { 1053}
   (( segid "A   " and resid 18   and name HA2 ))
   (( segid "A   " and resid 33   and name HB3 ))
      4.800     2.900     1.200 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.40298E-03 ppm1      3.713 ppm2      1.904 CV     1
 OR { 1053}
   (( segid "A   " and resid 18   and name HA2 ))
   (( segid "A   " and resid 33   and name HB2 ))
 ASSI { 1061}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 30   and name HZ  ))
      3.500     1.500     1.500 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.24237E-02 ppm1      0.870 ppm2      7.341 CV     1
 ASSI { 1062}
   (  segid "A   " and resid 19   and name HG1%)
   (  segid "A   " and resid 30   and name HD% )
      3.800     1.800     1.800 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.15107E-02 ppm1      0.854 ppm2      6.745 CV     1
 ASSI { 1063}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 21   and name HA  ))
      5.100     3.200     0.900 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.29980E-03 ppm1      0.855 ppm2      5.586 CV     1
 ASSI { 1064}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 30   and name HA  ))
      4.500     2.500     1.500 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.75924E-03 ppm1      0.854 ppm2      5.855 CV     1
 ASSI { 1066}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 30   and name HB2 ))
      3.700     1.800     1.800 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.30642E-02 ppm1      0.853 ppm2      2.805 CV     1
 OR { 1066}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 30   and name HB3 ))
 ASSI { 1068}
   (  segid "A   " and resid 19   and name HG1%)
   (  segid "A   " and resid 45   and name HD1%)
      4.200     2.200     1.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.36599E-03 ppm1      0.848 ppm2      0.383 CV     1
 ASSI { 1070}
   (( segid "A   " and resid 25   and name HA1 ))
   (( segid "A   " and resid 27   and name HN  ))
      5.600     3.900     0.400 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.69305E-03 ppm1      4.009 ppm2      7.978 CV     1
 ASSI { 1071}
   (( segid "A   " and resid 25   and name HA2 ))
   (( segid "A   " and resid 27   and name HN  ))
      5.200     3.400     0.800 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.41661E-03 ppm1      3.730 ppm2      7.985 CV     1
 ASSI { 1079}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 56   and name HB2 ))
      5.000     3.100     1.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.18883E-03 ppm1      5.583 ppm2      1.920 CV     1
 OR { 1079}
   (( segid "A   " and resid 21   and name HA  ))
   (( segid "A   " and resid 56   and name HB3 ))
 ASSI { 1083}
   (( segid "A   " and resid 21   and name HB3 ))
   (( segid "A   " and resid 30   and name HA  ))
      5.000     3.100     1.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.39714E-03 ppm1      1.616 ppm2      5.858 CV     1
 OR { 1083}
   (( segid "A   " and resid 21   and name HB2 ))
   (( segid "A   " and resid 30   and name HA  ))
 ASSI { 1088}
   (( segid "A   " and resid 21   and name HB3 ))
   (( segid "A   " and resid 30   and name HB2 ))
      5.800     4.300     0.200 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.17716E-03 ppm1      1.525 ppm2      2.793 CV     1
 OR { 1088}
   (( segid "A   " and resid 21   and name HB3 ))
   (( segid "A   " and resid 30   and name HB3 ))
 OR { 1088}
   (( segid "A   " and resid 21   and name HB2 ))
   (( segid "A   " and resid 30   and name HB2 ))
 ASSI { 1106}
   (  segid "A   " and resid 56   and name HD2%)
   (( segid "A   " and resid 58   and name HN  ))
      5.400     3.700     0.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.33484E-03 ppm1      0.707 ppm2      7.678 CV     1
 ASSI { 1122}
   (  segid "A   " and resid 56   and name HD1%)
   (( segid "A   " and resid 58   and name HN  ))
      4.000     2.000     2.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.10006E-02 ppm1      1.001 ppm2      7.639 CV     1
 ASSI { 1135}
   (( segid "A   " and resid 23   and name HB  ))
   (( segid "A   " and resid 28   and name HA  ))
      5.800     4.200     0.200 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.14990E-03 ppm1      1.932 ppm2      4.489 CV     1
 ASSI { 1143}
   (( segid "A   " and resid 35   and name HA2 ))
   (( segid "A   " and resid 37   and name HN  ))
      5.300     3.600     0.700 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.43023E-03 ppm1      4.222 ppm2      8.676 CV     1
 ASSI { 1144}
   (( segid "A   " and resid 35   and name HA1 ))
   (( segid "A   " and resid 37   and name HN  ))
      5.100     3.200     0.900 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.26476E-03 ppm1      3.778 ppm2      8.665 CV     1
 ASSI { 1149}
   (( segid "A   " and resid 40   and name HG2 ))
   (( segid "A   " and resid 44   and name HD2 ))
      4.500     2.500     1.500 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.42634E-03 ppm1      2.297 ppm2      3.151 CV     1
 OR { 1149}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 44   and name HD2 ))
 OR { 1149}
   (( segid "A   " and resid 40   and name HG2 ))
   (( segid "A   " and resid 44   and name HD3 ))
 OR { 1149}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 44   and name HD3 ))
 ASSI { 1156}
   (( segid "A   " and resid 24   and name HG2 ))
   (( segid "A   " and resid 29   and name HG2 ))
      4.100     2.100     1.900 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.12927E-02 ppm1      2.348 ppm2      1.085 CV     1
 OR { 1156}
   (( segid "A   " and resid 24   and name HG3 ))
   (( segid "A   " and resid 29   and name HG2 ))
 OR { 1156}
   (( segid "A   " and resid 24   and name HG2 ))
   (( segid "A   " and resid 29   and name HG3 ))
 OR { 1156}
   (( segid "A   " and resid 24   and name HG3 ))
   (( segid "A   " and resid 29   and name HG3 ))
 ASSI { 1162}
   (( segid "A   " and resid 24   and name HB3 ))
   (( segid "A   " and resid 29   and name HD3 ))
      3.500     1.600     1.600 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.77676E-03 ppm1      1.865 ppm2      2.868 CV     1
 OR { 1162}
   (( segid "A   " and resid 24   and name HB2 ))
   (( segid "A   " and resid 29   and name HD3 ))
 OR { 1162}
   (( segid "A   " and resid 24   and name HB3 ))
   (( segid "A   " and resid 29   and name HD2 ))
 ASSI { 1189}
   (( segid "A   " and resid 27   and name HB3 ))
   (( segid "A   " and resid 29   and name HD2 ))
      4.700     2.700     1.300 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.18494E-03 ppm1      1.746 ppm2      2.868 CV     1
 OR { 1189}
   (( segid "A   " and resid 27   and name HB2 ))
   (( segid "A   " and resid 29   and name HD2 ))
 ASSI { 1191}
   (( segid "A   " and resid 27   and name HG3 ))
   (  segid "B   " and resid 30   and name HD% )
      3.400     3.400     2.600 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.18631E-02 ppm1      1.612 ppm2      6.747 CV     1
 OR { 1191}
   (( segid "A   " and resid 27   and name HG2 ))
   (  segid "B   " and resid 30   and name HD% )
 OR { 1191}
   (( segid "A   " and resid 27   and name HG3 ))
   (  segid "A   " and resid 30   and name HD% )
 ASSI { 1202}
   (( segid "A   " and resid 28   and name HG  ))
   (  segid "A   " and resid 30   and name HD% )
      4.600     2.700     1.400 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.41855E-03 ppm1      1.435 ppm2      6.749 CV     1
 ASSI { 1210}
   (  segid "A   " and resid 28   and name HD2%)
   (  segid "A   " and resid 30   and name HE% )
      4.500     2.500     1.500 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.57819E-03 ppm1      0.803 ppm2      7.230 CV     1
 ASSI { 1213}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 30   and name HA  ))
      5.200     3.300     0.800 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.12654E-03 ppm1      0.803 ppm2      5.858 CV     1
 ASSI { 1220}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 30   and name HB2 ))
      4.900     3.000     1.100 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.20051E-03 ppm1      0.799 ppm2      2.803 CV     1
 OR { 1220}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 30   and name HB3 ))
 ASSI { 1238}
   (( segid "A   " and resid 49   and name HG3 ))
   (( segid "A   " and resid 51   and name HN  ))
      6.000     4.800     0.000 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.15574E-03 ppm1      1.326 ppm2      8.214 CV     1
 OR { 1238}
   (( segid "A   " and resid 49   and name HG2 ))
   (( segid "A   " and resid 51   and name HN  ))
 ASSI { 1245}
   (( segid "A   " and resid 49   and name HG3 ))
   (  segid "A   " and resid 53   and name HD1%)
      3.200     1.200     1.200 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.38001E-02 ppm1      1.330 ppm2      0.818 CV     1
 OR { 1245}
   (( segid "A   " and resid 49   and name HG2 ))
   (  segid "A   " and resid 53   and name HD1%)
 ASSI { 1254}
   (( segid "A   " and resid 41   and name HG  ))
   (  segid "A   " and resid 45   and name HD2%)
      4.300     2.300     1.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.45165E-03 ppm1      1.484 ppm2      0.625 CV     1
 ASSI { 1264}
   (( segid "A   " and resid 20   and name HG2 ))
   (( segid "A   " and resid 22   and name HZ3 ))
      4.600     2.700     1.400 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.80596E-03 ppm1      1.895 ppm2      6.747 CV     1
 OR { 1264}
   (( segid "A   " and resid 20   and name HG3 ))
   (( segid "A   " and resid 22   and name HZ3 ))
 ASSI { 1266}
   (( segid "A   " and resid 20   and name HG2 ))
   (( segid "A   " and resid 22   and name HE3 ))
      4.600     2.700     1.400 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.70667E-03 ppm1      1.894 ppm2      7.111 CV     1
 OR { 1266}
   (( segid "A   " and resid 20   and name HG3 ))
   (( segid "A   " and resid 22   and name HE3 ))
 ASSI { 1277}
   (( segid "A   " and resid 20   and name HG3 ))
   (( segid "A   " and resid 31   and name HG2 ))
      5.100     3.200     0.900 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.31149E-03 ppm1      1.896 ppm2      2.516 CV     1
 OR { 1277}
   (( segid "A   " and resid 20   and name HG2 ))
   (( segid "A   " and resid 31   and name HG2 ))
 OR { 1277}
   (( segid "A   " and resid 20   and name HG3 ))
   (( segid "A   " and resid 31   and name HG3 ))
 OR { 1277}
   (( segid "A   " and resid 20   and name HG2 ))
   (( segid "A   " and resid 31   and name HG3 ))
 ASSI { 1295}
   (( segid "A   " and resid 37   and name HG3 ))
   (  segid "A   " and resid 45   and name HD1%)
      5.600     3.900     0.400 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.12849E-03 ppm1      2.257 ppm2      0.407 CV     1
 OR { 1295}
   (( segid "A   " and resid 37   and name HG2 ))
   (  segid "A   " and resid 45   and name HD1%)
 ASSI { 1329}
   (( segid "A   " and resid 20   and name HB2 ))
   (( segid "A   " and resid 22   and name HZ3 ))
      3.500     1.500     1.500 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.10707E-02 ppm1      2.112 ppm2      6.746 CV     1
 OR { 1329}
   (( segid "A   " and resid 20   and name HB3 ))
   (( segid "A   " and resid 22   and name HZ3 ))
 ASSI { 1331}
   (( segid "A   " and resid 20   and name HB3 ))
   (( segid "A   " and resid 22   and name HE3 ))
      3.200     1.300     1.300 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.21609E-02 ppm1      1.985 ppm2      7.099 CV     1
 OR { 1331}
   (( segid "A   " and resid 20   and name HB2 ))
   (( segid "A   " and resid 22   and name HE3 ))
 ASSI { 1332}
   (( segid "A   " and resid 20   and name HB2 ))
   (( segid "A   " and resid 30   and name HA  ))
      5.700     4.100     0.300 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.15574E-03 ppm1      2.114 ppm2      5.855 CV     1
 OR { 1332}
   (( segid "A   " and resid 20   and name HB3 ))
   (( segid "A   " and resid 30   and name HA  ))
 ASSI { 1336}
   (( segid "A   " and resid 20   and name HB2 ))
   (( segid "A   " and resid 31   and name HA  ))
      5.800     4.200     0.200 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.20051E-03 ppm1      2.108 ppm2      4.709 CV     1
 OR { 1336}
   (( segid "A   " and resid 20   and name HB3 ))
   (( segid "A   " and resid 31   and name HA  ))
 ASSI { 1340}
   (( segid "A   " and resid 20   and name HD2 ))
   (( segid "A   " and resid 22   and name HZ3 ))
      4.100     2.200     1.900 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.82153E-03 ppm1      3.229 ppm2      6.748 CV     1
 OR { 1340}
   (( segid "A   " and resid 20   and name HD3 ))
   (( segid "A   " and resid 22   and name HZ3 ))
 ASSI { 1341}
   (( segid "A   " and resid 20   and name HD3 ))
   (( segid "A   " and resid 22   and name HE3 ))
      4.400     2.500     1.600 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.64243E-03 ppm1      3.228 ppm2      7.120 CV     1
 OR { 1341}
   (( segid "A   " and resid 20   and name HD2 ))
   (( segid "A   " and resid 22   and name HE3 ))
 ASSI { 1363}
   (( segid "A   " and resid 62   and name HB3 ))
   (( segid "A   " and resid 64   and name HE21))
      4.800     2.800     1.200 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.27060E-03 ppm1      3.818 ppm2      6.895 CV     1
 OR { 1363}
   (( segid "A   " and resid 62   and name HB2 ))
   (( segid "A   " and resid 64   and name HE21))
 ASSI { 1365}
   (( segid "A   " and resid 62   and name HB3 ))
   (( segid "A   " and resid 64   and name HE22))
      5.800     4.200     0.200 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.91496E-04 ppm1      3.717 ppm2      7.538 CV     1
 OR { 1365}
   (( segid "A   " and resid 62   and name HB2 ))
   (( segid "A   " and resid 64   and name HE22))
 ASSI { 1369}
   (( segid "A   " and resid 6    and name HB3 ))
   (( segid "A   " and resid 8    and name HN  ))
      4.700     2.700     1.300 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.40492E-03 ppm1      4.111 ppm2      8.457 CV     1
 OR { 1369}
   (( segid "A   " and resid 6    and name HB2 ))
   (( segid "A   " and resid 8    and name HN  ))
 ASSI { 1372}
   (( segid "A   " and resid 6    and name HB3 ))
   (( segid "A   " and resid 9    and name HN  ))
      4.500     2.600     1.500 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.35626E-03 ppm1      3.998 ppm2      7.791 CV     1
 OR { 1372}
   (( segid "A   " and resid 6    and name HB2 ))
   (( segid "A   " and resid 9    and name HN  ))
 ASSI { 1382}
   (  segid "A   " and resid 11   and name HD2%)
   (( segid "A   " and resid 15   and name HN  ))
      4.000     2.000     2.000 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.62296E-03 ppm1      0.960 ppm2      8.664 CV     1
 ASSI { 1391}
   (  segid "A   " and resid 55   and name HD2%)
   (( segid "A   " and resid 57   and name HN  ))
      2.900     2.900     3.100 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.14678E-02 ppm1      0.890 ppm2      8.358 CV     1
 ASSI { 1396}
   (  segid "A   " and resid 28   and name HD2%)
   (  segid "A   " and resid 30   and name HD% )
      4.000     2.000     2.000 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.67358E-03 ppm1      0.816 ppm2      6.746 CV     1
 ASSI { 1399}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 57   and name HD2 ))
      3.600     1.600     1.600 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.15418E-02 ppm1      4.056 ppm2      3.180 CV     1
 OR { 1399}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 57   and name HD3 ))
 ASSI { 1401}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 57   and name HB2 ))
      2.700     0.900     0.900 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.41953E-02 ppm1      4.056 ppm2      1.959 CV     1
 OR { 1401}
   (( segid "A   " and resid 54   and name HA  ))
   (( segid "A   " and resid 57   and name HB3 ))
 ASSI { 1416}
   (  segid "A   " and resid 10   and name HD1%)
   (( segid "A   " and resid 14   and name HN  ))
      4.100     2.100     1.900 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.56846E-03 ppm1      0.851 ppm2      8.810 CV     1
 ASSI { 1432}
   (( segid "A   " and resid 56   and name HB3 ))
   (( segid "A   " and resid 58   and name HN  ))
      3.700     1.700     1.700 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.23867E-02 ppm1      1.917 ppm2      7.642 CV     1
 OR { 1432}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 58   and name HN  ))
 ASSI { 1435}
   (( segid "A   " and resid 55   and name HA  ))
   (( segid "A   " and resid 58   and name HG2 ))
      3.900     1.900     1.900 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.78455E-03 ppm1      4.158 ppm2      2.655 CV     1
 OR { 1435}
   (( segid "A   " and resid 55   and name HA  ))
   (( segid "A   " and resid 58   and name HG3 ))
 ASSI { 1439}
   (( segid "A   " and resid 18   and name HA1 ))
   (( segid "A   " and resid 58   and name HE22))
      4.400     2.400     1.600 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.24335E-03 ppm1      4.304 ppm2      6.753 CV     1
 ASSI { 1440}
   (( segid "A   " and resid 18   and name HA2 ))
   (( segid "A   " and resid 58   and name HE22))
      5.300     3.500     0.700 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.29591E-03 ppm1      3.711 ppm2      6.740 CV     1
 ASSI { 1442}
   (( segid "A   " and resid 18   and name HA1 ))
   (( segid "A   " and resid 58   and name HE21))
      4.400     2.400     1.600 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.39714E-03 ppm1      4.307 ppm2      7.183 CV     1
 ASSI { 1448}
   (( segid "A   " and resid 18   and name HA1 ))
   (( segid "A   " and resid 20   and name HD2 ))
      4.800     2.800     1.200 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.27449E-03 ppm1      4.305 ppm2      3.242 CV     1
 OR { 1448}
   (( segid "A   " and resid 18   and name HA1 ))
   (( segid "A   " and resid 20   and name HD3 ))
 ASSI { 1451}
   (( segid "A   " and resid 18   and name HA2 ))
   (( segid "A   " and resid 33   and name HG3 ))
      3.700     1.700     1.700 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.74172E-03 ppm1      3.706 ppm2      2.270 CV     1
 OR { 1451}
   (( segid "A   " and resid 18   and name HA2 ))
   (( segid "A   " and resid 33   and name HG2 ))
 ASSI { 1464}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 33   and name HD3 ))
      4.500     2.600     1.500 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.54509E-03 ppm1      2.271 ppm2      4.019 CV     1
 OR { 1464}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 33   and name HD3 ))
 ASSI { 1476}
   (( segid "A   " and resid 31   and name HG3 ))
   (( segid "A   " and resid 33   and name HD3 ))
      3.900     1.900     1.900 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.77092E-03 ppm1      2.557 ppm2      4.028 CV     1
 OR { 1476}
   (( segid "A   " and resid 31   and name HG2 ))
   (( segid "A   " and resid 33   and name HD3 ))
 ASSI { 1486}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 58   and name HG2 ))
      5.400     3.700     0.600 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.21414E-03 ppm1      1.911 ppm2      2.470 CV     1
 OR { 1486}
   (( segid "A   " and resid 56   and name HB3 ))
   (( segid "A   " and resid 58   and name HG2 ))
 OR { 1486}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 58   and name HG3 ))
 OR { 1486}
   (( segid "A   " and resid 56   and name HB3 ))
   (( segid "A   " and resid 58   and name HG3 ))
 ASSI { 1506}
   (  segid "A   " and resid 7    and name HB% )
   (( segid "A   " and resid 10   and name HN  ))
      4.500     2.500     1.500 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.74172E-03 ppm1      1.400 ppm2      7.933 CV     1
 ASSI { 1507}
   (  segid "A   " and resid 7    and name HB% )
   (( segid "A   " and resid 9    and name HN  ))
      4.700     2.700     1.300 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.67942E-03 ppm1      1.401 ppm2      7.740 CV     1
 ASSI { 1561}
   (  segid "A   " and resid 15   and name HB% )
   (( segid "A   " and resid 58   and name HB2 ))
      3.900     1.900     1.900 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.83517E-03 ppm1      1.542 ppm2      2.540 CV     1
 OR { 1561}
   (  segid "A   " and resid 15   and name HB% )
   (( segid "A   " and resid 58   and name HB3 ))
 ASSI { 1563}
   (  segid "A   " and resid 41   and name HD1%)
   (( segid "A   " and resid 44   and name HN  ))
      5.000     3.100     1.000 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.57235E-03 ppm1      0.968 ppm2      8.046 CV     1
 ASSI { 1566}
   (( segid "A   " and resid 33   and name HD3 ))
   (  segid "A   " and resid 36   and name HG1%)
      5.500     3.800     0.500 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.54120E-03 ppm1      3.989 ppm2      0.991 CV     1
 ASSI { 1580}
   (( segid "A   " and resid 8    and name HA2 ))
   (  segid "A   " and resid 11   and name HD1%)
      5.100     3.300     0.900 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.55483E-03 ppm1      3.781 ppm2      0.869 CV     1
 ASSI { 1605}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 17   and name HA  ))
      6.000     4.700     0.000 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.15574E-03 ppm1      3.750 ppm2      4.390 CV     1
 ASSI { 1610}
   (( segid "A   " and resid 27   and name HG3 ))
   (  segid "B   " and resid 30   and name HE% )
      4.300     2.300     1.700 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.36793E-03 ppm1      1.612 ppm2      7.243 CV     1
 OR { 1610}
   (( segid "A   " and resid 27   and name HG2 ))
   (  segid "B   " and resid 30   and name HE% )
 ASSI { 1614}
   (( segid "A   " and resid 27   and name HG3 ))
   (( segid "A   " and resid 30   and name HB2 ))
      5.300     3.500     0.700 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.14406E-03 ppm1      1.617 ppm2      2.852 CV     1
 OR { 1614}
   (( segid "A   " and resid 27   and name HG3 ))
   (( segid "A   " and resid 30   and name HB3 ))
 OR { 1614}
   (( segid "A   " and resid 27   and name HG2 ))
   (( segid "A   " and resid 30   and name HB2 ))
 OR { 1614}
   (( segid "A   " and resid 27   and name HG2 ))
   (( segid "A   " and resid 30   and name HB3 ))
 ASSI { 1621}
   (( segid "A   " and resid 14   and name HA  ))
   (( segid "A   " and resid 17   and name HG  ))
      3.700     1.700     1.700 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.10941E-02 ppm1      3.748 ppm2      1.532 CV     1
 ASSI { 1624}
   (( segid "A   " and resid 47   and name HA2 ))
   (  segid "A   " and resid 52   and name HD1%)
      6.000     4.900     0.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.93448E-04 ppm1      4.066 ppm2      0.850 CV     1
 ASSI { 1657}
   (( segid "A   " and resid 37   and name HG3 ))
   (( segid "A   " and resid 39   and name HA  ))
      6.000     4.700     0.000 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.58403E-04 ppm1      2.514 ppm2      4.290 CV     1
 OR { 1657}
   (( segid "A   " and resid 37   and name HG2 ))
   (( segid "A   " and resid 39   and name HA  ))
 ASSI { 1671}
   (( segid "A   " and resid 60   and name HG2 ))
   (( segid "A   " and resid 62   and name HN  ))
      6.000     5.300     0.000 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.52563E-04 ppm1      2.476 ppm2      8.567 CV     1
 OR { 1671}
   (( segid "A   " and resid 60   and name HG3 ))
   (( segid "A   " and resid 62   and name HN  ))
 ASSI { 1720}
   (( segid "A   " and resid 21   and name HB2 ))
   (  segid "A   " and resid 56   and name HD1%)
      4.200     2.200     1.800 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.75924E-03 ppm1      1.509 ppm2      0.977 CV     1
 OR { 1720}
   (( segid "A   " and resid 21   and name HB3 ))
   (  segid "A   " and resid 56   and name HD1%)
 ASSI { 1724}
   (  segid "A   " and resid 21   and name HD1%)
   (  segid "A   " and resid 45   and name HD1%)
      3.900     1.900     1.900 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.77871E-03 ppm1      0.862 ppm2      0.391 CV     1
 ASSI { 1725}
   (  segid "A   " and resid 21   and name HD1%)
   (( segid "A   " and resid 45   and name HA  ))
      4.200     2.300     1.800 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.10006E-02 ppm1      0.862 ppm2      3.891 CV     1
 ASSI { 1730}
   (( segid "A   " and resid 30   and name HB3 ))
   (  segid "B   " and resid 45   and name HD1%)
      6.000     5.100     0.000 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.60349E-04 ppm1      2.773 ppm2      0.395 CV     1
 OR { 1730}
   (( segid "A   " and resid 30   and name HB2 ))
   (  segid "B   " and resid 45   and name HD1%)
 OR { 1730}
   (( segid "A   " and resid 30   and name HB2 ))
   (  segid "A   " and resid 45   and name HD1%)
 ASSI { 1748}
   (( segid "A   " and resid 16   and name HA  ))
   (( segid "A   " and resid 18   and name HN  ))
      4.700     2.700     1.300 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.27838E-03 ppm1      4.295 ppm2      7.873 CV     1
 ASSI { 1755}
   (  segid "A   " and resid 32   and name HB% )
   (  segid "A   " and resid 37   and name HE% )
      4.000     2.000     2.000 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.44776E-03 ppm1      1.490 ppm2      1.249 CV     1
 ASSI { 1757}
   (( segid "A   " and resid 41   and name HB3 ))
   (  segid "A   " and resid 45   and name HD2%)
      6.000     6.000     0.000 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.83710E-04 ppm1      1.618 ppm2      0.634 CV     1
 OR { 1757}
   (( segid "A   " and resid 41   and name HB2 ))
   (  segid "A   " and resid 45   and name HD2%)
 ASSI { 1769}
   (  segid "A   " and resid 7    and name HB% )
   (  segid "A   " and resid 10   and name HD1%)
      3.400     3.400     2.600 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.58072E-02 ppm1      1.404 ppm2      0.862 CV     1
 ASSI { 1771}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 10   and name HN  ))
      3.900     1.900     1.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.71835E-03 ppm1      4.060 ppm2      7.938 CV     1
 ASSI { 1774}
   (( segid "A   " and resid 8    and name HA2 ))
   (( segid "A   " and resid 11   and name HB3 ))
      6.000     5.500     0.000 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.13822E-03 ppm1      3.781 ppm2      1.690 CV     1
 OR { 1774}
   (( segid "A   " and resid 8    and name HA2 ))
   (( segid "A   " and resid 11   and name HB2 ))
 ASSI { 1775}
   (( segid "A   " and resid 8    and name HA1 ))
   (( segid "A   " and resid 10   and name HN  ))
      5.900     4.400     0.100 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.83710E-04 ppm1      3.556 ppm2      7.920 CV     1
 ASSI { 1776}
   (( segid "A   " and resid 8    and name HA2 ))
   (( segid "A   " and resid 10   and name HN  ))
      6.000     5.600     0.000 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.68136E-04 ppm1      3.784 ppm2      7.928 CV     1
 ASSI { 1777}
   (( segid "A   " and resid 8    and name HA1 ))
   (( segid "A   " and resid 11   and name HN  ))
      5.400     3.700     0.600 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.81766E-04 ppm1      3.554 ppm2      8.327 CV     1
 ASSI { 1782}
   (  segid "A   " and resid 54   and name HB% )
   (( segid "A   " and resid 56   and name HN  ))
      4.400     2.400     1.600 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.89938E-03 ppm1      1.502 ppm2      8.639 CV     1
 ASSI { 1788}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 13   and name HB3 ))
      5.900     4.300     0.100 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.16936E-03 ppm1      1.747 ppm2      3.307 CV     1
 OR { 1788}
   (( segid "A   " and resid 10   and name HB3 ))
   (( segid "A   " and resid 13   and name HB3 ))
 OR { 1788}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 13   and name HB2 ))
 ASSI { 1790}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 14   and name HN  ))
      6.000     5.800     0.000 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.54509E-04 ppm1      1.743 ppm2      8.826 CV     1
 OR { 1790}
   (( segid "A   " and resid 10   and name HB3 ))
   (( segid "A   " and resid 14   and name HN  ))
 ASSI { 1791}
   (  segid "A   " and resid 10   and name HD2%)
   (( segid "A   " and resid 45   and name HA  ))
      3.400     1.500     1.500 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.15243E-02 ppm1      0.810 ppm2      3.863 CV     1
 ASSI { 1793}
   (  segid "A   " and resid 10   and name HD2%)
   (( segid "A   " and resid 44   and name HD3 ))
      4.800     2.900     1.200 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.31733E-03 ppm1      0.808 ppm2      3.135 CV     1
 OR { 1793}
   (  segid "A   " and resid 10   and name HD2%)
   (( segid "A   " and resid 44   and name HD2 ))
 ASSI { 1797}
   (  segid "A   " and resid 10   and name HD2%)
   (( segid "A   " and resid 44   and name HB3 ))
      3.600     1.600     1.600 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.15710E-02 ppm1      0.813 ppm2      1.933 CV     1
 OR { 1797}
   (  segid "A   " and resid 10   and name HD2%)
   (( segid "A   " and resid 44   and name HB2 ))
 ASSI { 1803}
   (( segid "A   " and resid 10   and name HG  ))
   (  segid "A   " and resid 45   and name HD2%)
      4.100     2.200     1.900 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.57040E-03 ppm1      1.556 ppm2      0.615 CV     1
 ASSI { 1806}
   (  segid "A   " and resid 11   and name HD2%)
   (( segid "A   " and resid 14   and name HN  ))
      6.000     5.400     0.000 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.62296E-04 ppm1      0.958 ppm2      8.850 CV     1
 ASSI { 1808}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 15   and name HA  ))
      6.000     6.000     0.000 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.60349E-04 ppm1      4.095 ppm2      4.458 CV     1
 ASSI { 1812}
   (  segid "A   " and resid 12   and name HB% )
   (( segid "A   " and resid 14   and name HN  ))
      5.900     4.400     0.100 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.19273E-03 ppm1      1.538 ppm2      8.853 CV     1
 ASSI { 1822}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "A   " and resid 58   and name HB2 ))
      5.200     3.300     0.800 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.19273E-03 ppm1      4.480 ppm2      2.403 CV     1
 OR { 1822}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "A   " and resid 58   and name HB3 ))
 ASSI { 1823}
   (( segid "A   " and resid 15   and name HA  ))
   (( segid "A   " and resid 19   and name HB  ))
      4.400     2.400     1.600 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.37378E-03 ppm1      4.481 ppm2      1.903 CV     1
 ASSI { 1825}
   (( segid "A   " and resid 15   and name HA  ))
   (  segid "A   " and resid 19   and name HG2%)
      4.600     2.600     1.400 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.58792E-03 ppm1      4.477 ppm2      0.911 CV     1
 ASSI { 1826}
   (  segid "A   " and resid 15   and name HB% )
   (( segid "A   " and resid 58   and name HN  ))
      4.500     2.500     1.500 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.51784E-03 ppm1      1.543 ppm2      7.677 CV     1
 ASSI { 1839}
   (( segid "A   " and resid 18   and name HA2 ))
   (( segid "A   " and resid 58   and name HE21))
      6.000     5.800     0.000 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.89551E-04 ppm1      3.710 ppm2      7.190 CV     1
 ASSI { 1840}
   (( segid "A   " and resid 18   and name HA1 ))
   (( segid "A   " and resid 58   and name HG2 ))
      6.000     5.200     0.000 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.50616E-04 ppm1      4.304 ppm2      2.651 CV     1
 OR { 1840}
   (( segid "A   " and resid 18   and name HA1 ))
   (( segid "A   " and resid 58   and name HG3 ))
 ASSI { 1844}
   (( segid "A   " and resid 19   and name HB  ))
   (( segid "A   " and resid 30   and name HZ  ))
      6.000     6.000     0.000 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.64243E-04 ppm1      1.904 ppm2      7.308 CV     1
 ASSI { 1845}
   (( segid "A   " and resid 19   and name HB  ))
   (  segid "A   " and resid 45   and name HD2%)
      6.000     6.000     0.000 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.19467E-05 ppm1      1.897 ppm2      0.619 CV     1
 ASSI { 1846}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 32   and name HA  ))
      4.400     2.500     1.600 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.42829E-03 ppm1      0.854 ppm2      5.221 CV     1
 ASSI { 1847}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 33   and name HG2 ))
      5.300     3.500     0.700 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.46333E-03 ppm1      0.854 ppm2      2.283 CV     1
 OR { 1847}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 33   and name HG3 ))
 ASSI { 1848}
   (  segid "A   " and resid 19   and name HG2%)
   (  segid "A   " and resid 30   and name HD% )
      6.000     5.400     0.000 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.93448E-04 ppm1      0.873 ppm2      6.755 CV     1
 ASSI { 1853}
   (( segid "A   " and resid 20   and name HD2 ))
   (( segid "A   " and resid 31   and name HA  ))
      6.000     5.000     0.000 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.95392E-04 ppm1      3.235 ppm2      4.732 CV     1
 OR { 1853}
   (( segid "A   " and resid 20   and name HD3 ))
   (( segid "A   " and resid 31   and name HA  ))
 ASSI { 1857}
   (( segid "A   " and resid 20   and name HG3 ))
   (( segid "A   " and resid 31   and name HB3 ))
      5.800     4.200     0.200 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.15574E-03 ppm1      1.797 ppm2      2.280 CV     1
 OR { 1857}
   (( segid "A   " and resid 20   and name HG2 ))
   (( segid "A   " and resid 31   and name HB3 ))
 OR { 1857}
   (( segid "A   " and resid 20   and name HG3 ))
   (( segid "A   " and resid 31   and name HB2 ))
 ASSI { 1858}
   (  segid "A   " and resid 41   and name HD2%)
   (  segid "A   " and resid 45   and name HD1%)
      4.100     2.100     1.900 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.36599E-03 ppm1      0.921 ppm2      0.397 CV     1
 ASSI { 1904}
   (( segid "A   " and resid 33   and name HD2 ))
   (  segid "A   " and resid 36   and name HG2%)
      2.800     1.000     1.000 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.12206E-02 ppm1      3.251 ppm2      0.898 CV     1
 ASSI { 1907}
   (( segid "A   " and resid 33   and name HA  ))
   (( segid "A   " and resid 36   and name HN  ))
      6.000     5.600     0.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.48669E-04 ppm1      4.889 ppm2      7.457 CV     1
 ASSI { 1911}
   (( segid "A   " and resid 33   and name HG2 ))
   (  segid "A   " and resid 36   and name HG2%)
      4.500     2.500     1.500 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.62102E-03 ppm1      2.294 ppm2      0.902 CV     1
 OR { 1911}
   (( segid "A   " and resid 33   and name HG3 ))
   (  segid "A   " and resid 36   and name HG2%)
 ASSI { 1921}
   (( segid "A   " and resid 34   and name HD2 ))
   (  segid "A   " and resid 36   and name HG1%)
      4.100     2.100     1.900 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.18883E-03 ppm1      3.938 ppm2      0.995 CV     1
 ASSI { 1929}
   (( segid "A   " and resid 35   and name HA1 ))
   (  segid "A   " and resid 38   and name HG2%)
      5.800     4.200     0.200 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.52563E-04 ppm1      3.781 ppm2      1.405 CV     1
 ASSI { 1941}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 41   and name HN  ))
      6.000     5.700     0.000 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.52563E-04 ppm1      4.634 ppm2      7.842 CV     1
 ASSI { 1942}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 39   and name HD3 ))
      6.000     4.600     0.000 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.91496E-04 ppm1      4.634 ppm2      3.930 CV     1
 OR { 1942}
   (( segid "A   " and resid 37   and name HA  ))
   (( segid "A   " and resid 39   and name HD2 ))
 ASSI { 1945}
   (( segid "A   " and resid 37   and name HA  ))
   (  segid "A   " and resid 45   and name HD2%)
      6.000     6.000     0.000 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.42829E-04 ppm1      4.638 ppm2      0.626 CV     1
 ASSI { 1946}
   (( segid "A   " and resid 37   and name HA  ))
   (  segid "A   " and resid 45   and name HD1%)
      6.000     6.000     0.000 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.42829E-04 ppm1      4.631 ppm2      0.399 CV     1
 ASSI { 1977}
   (( segid "A   " and resid 40   and name HG2 ))
   (( segid "A   " and resid 44   and name HG3 ))
      6.000     4.500     0.000 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.54509E-04 ppm1      2.304 ppm2      1.660 CV     1
 OR { 1977}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 44   and name HG3 ))
 OR { 1977}
   (( segid "A   " and resid 40   and name HG3 ))
   (( segid "A   " and resid 44   and name HG2 ))
 OR { 1977}
   (( segid "A   " and resid 40   and name HG2 ))
   (( segid "A   " and resid 44   and name HG2 ))
 ASSI { 1981}
   (( segid "A   " and resid 41   and name HB3 ))
   (  segid "A   " and resid 45   and name HD2%)
      6.000     6.000     0.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.75924E-04 ppm1      1.981 ppm2      0.638 CV     1
 OR { 1981}
   (( segid "A   " and resid 41   and name HB2 ))
   (  segid "A   " and resid 45   and name HD2%)
 ASSI { 1985}
   (( segid "A   " and resid 41   and name HG  ))
   (( segid "A   " and resid 45   and name HA  ))
      6.000     4.900     0.000 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.73977E-04 ppm1      1.489 ppm2      3.867 CV     1
 ASSI { 1992}
   (  segid "A   " and resid 41   and name HD2%)
   (  segid "A   " and resid 45   and name HD2%)
      3.700     1.700     1.700 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.10473E-02 ppm1      0.920 ppm2      0.630 CV     1
 ASSI { 2003}
   (( segid "A   " and resid 42   and name HB3 ))
   (( segid "A   " and resid 44   and name HG3 ))
      6.000     4.900     0.000 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.12459E-03 ppm1      2.067 ppm2      1.705 CV     1
 OR { 2003}
   (( segid "A   " and resid 42   and name HB3 ))
   (( segid "A   " and resid 44   and name HG2 ))
 OR { 2003}
   (( segid "A   " and resid 42   and name HB2 ))
   (( segid "A   " and resid 44   and name HG3 ))
 ASSI { 2005}
   (( segid "A   " and resid 43   and name HA  ))
   (( segid "A   " and resid 45   and name HN  ))
      6.000     4.800     0.000 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.50616E-04 ppm1      4.282 ppm2      8.443 CV     1
 ASSI { 2030}
   (( segid "A   " and resid 45   and name HB3 ))
   (( segid "A   " and resid 47   and name HN  ))
      4.000     2.000     2.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.47501E-03 ppm1      1.719 ppm2      8.198 CV     1
 OR { 2030}
   (( segid "A   " and resid 45   and name HB2 ))
   (( segid "A   " and resid 47   and name HN  ))
 ASSI { 2037}
   (( segid "A   " and resid 47   and name HA1 ))
   (  segid "A   " and resid 52   and name HD1%)
      5.300     3.500     0.700 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.91496E-04 ppm1      3.937 ppm2      0.849 CV     1
 ASSI { 2039}
   (  segid "A   " and resid 48   and name HB% )
   (( segid "A   " and resid 51   and name HN  ))
      3.800     1.800     1.800 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.72420E-03 ppm1      1.401 ppm2      8.254 CV     1
 ASSI { 2040}
   (  segid "A   " and resid 48   and name HB% )
   (( segid "A   " and resid 52   and name HN  ))
      4.200     2.200     1.800 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.53731E-03 ppm1      1.391 ppm2      8.645 CV     1
 ASSI { 2071}
   (( segid "A   " and resid 51   and name HG3 ))
   (( segid "A   " and resid 55   and name HB2 ))
      5.700     4.000     0.300 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.64243E-04 ppm1      2.434 ppm2      1.744 CV     1
 OR { 2071}
   (( segid "A   " and resid 51   and name HG3 ))
   (( segid "A   " and resid 55   and name HB3 ))
 OR { 2071}
   (( segid "A   " and resid 51   and name HG2 ))
   (( segid "A   " and resid 55   and name HB2 ))
 ASSI { 2072}
   (( segid "A   " and resid 52   and name HA  ))
   (( segid "A   " and resid 55   and name HN  ))
      3.800     1.800     1.800 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.73782E-03 ppm1      4.041 ppm2      7.700 CV     1
 ASSI { 2080}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 56   and name HN  ))
      3.800     1.800     1.800 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.66385E-03 ppm1      3.506 ppm2      8.683 CV     1
 ASSI { 2086}
   (  segid "A   " and resid 53   and name HG2%)
   (( segid "A   " and resid 56   and name HN  ))
      4.900     3.000     1.100 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.29786E-03 ppm1      0.887 ppm2      8.691 CV     1
 ASSI { 2106}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 60   and name HG3 ))
      3.900     1.900     1.900 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.67942E-03 ppm1      4.103 ppm2      2.470 CV     1
 OR { 2106}
   (( segid "A   " and resid 57   and name HA  ))
   (( segid "A   " and resid 60   and name HG2 ))
 ASSI { 2132}
   (( segid "A   " and resid 72   and name HA  ))
   (( segid "A   " and resid 75   and name HN  ))
      4.400     2.400     1.600 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.46333E-03 ppm1      4.112 ppm2      8.080 CV     1
 ASSI { 2144}
   (( segid "A   " and resid 76   and name HA2 ))
   (  segid "A   " and resid 78   and name HD2%)
      6.000     5.000     0.000 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.52563E-04 ppm1      3.862 ppm2      0.912 CV     1
 OR { 2144}
   (( segid "A   " and resid 76   and name HA2 ))
   (  segid "A   " and resid 78   and name HD1%)
 ASSI {    2}
   (  segid "A   " and resid 32   and name HB% )
   (( segid "A   " and resid 20   and name HN  ))
      4.000     2.000     2.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.87413E-03 ppm1      1.489 ppm2      8.880 CV     1
 ASSI {    4}
   (  segid "A   " and resid 32   and name HB% )
   (( segid "A   " and resid 19   and name HN  ))
      5.100     3.200     0.900 peak     4 spectrum    1 weight  0.10000E+01 volume  0.47501E-03 ppm1      1.492 ppm2      7.843 CV     1
 ASSI {    6}
   (  segid "A   " and resid 32   and name HB% )
   (  segid "A   " and resid 30   and name HE% )
      3.300     1.400     1.400 peak     6 spectrum    1 weight  0.10000E+01 volume  0.15438E-02 ppm1      1.490 ppm2      7.230 CV     1
 ASSI {    7}
   (  segid "A   " and resid 32   and name HB% )
   (  segid "A   " and resid 30   and name HD% )
      3.300     1.300     1.300 peak     7 spectrum    1 weight  0.10000E+01 volume  0.17988E-02 ppm1      1.490 ppm2      6.746 CV     1
 ASSI {   17}
   (  segid "A   " and resid 30   and name HD% )
   (( segid "A   " and resid 21   and name HB3 ))
      2.400     2.400     3.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.49097E-02 ppm1      6.744 ppm2      1.558 CV     1
 OR {   17}
   (  segid "A   " and resid 30   and name HD% )
   (( segid "A   " and resid 21   and name HB2 ))
 ASSI {   19}
   (  segid "A   " and resid 30   and name HD% )
   (  segid "A   " and resid 21   and name HD1%)
      3.000     1.100     1.100 peak    19 spectrum    1 weight  0.10000E+01 volume  0.43861E-02 ppm1      6.744 ppm2      0.857 CV     1
 ASSI {   40}
   (  segid "A   " and resid 53   and name HD1%)
   (( segid "A   " and resid 49   and name HA  ))
      3.500     1.500     1.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.51394E-03 ppm1      0.797 ppm2      3.884 CV     1
 ASSI {   48}
   (  segid "A   " and resid 53   and name HG2%)
   (( segid "A   " and resid 50   and name HA  ))
      4.600     2.600     1.400 peak    48 spectrum    1 weight  0.10000E+01 volume  0.12459E-02 ppm1      0.886 ppm2      4.292 CV     1
 ASSI {  115}
   (  segid "A   " and resid 30   and name HE% )
   (( segid "A   " and resid 21   and name HB2 ))
      2.500     2.500     3.500 peak   115 spectrum    1 weight  0.10000E+01 volume  0.35178E-02 ppm1      7.219 ppm2      1.561 CV     1
 OR {  115}
   (  segid "A   " and resid 30   and name HE% )
   (( segid "A   " and resid 21   and name HB3 ))
 ASSI {  117}
   (  segid "A   " and resid 30   and name HE% )
   (  segid "A   " and resid 21   and name HD2%)
      3.400     1.500     1.500 peak   117 spectrum    1 weight  0.10000E+01 volume  0.13939E-02 ppm1      7.219 ppm2      0.856 CV     1
 ASSI {  123}
   (( segid "A   " and resid 30   and name HZ  ))
   (  segid "A   " and resid 21   and name HD1%)
      4.000     2.000     2.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.64243E-03 ppm1      7.278 ppm2      0.871 CV     1
 ASSI {  142}
   (( segid "A   " and resid 13   and name HD2 ))
   (  segid "A   " and resid 10   and name HD1%)
      4.000     2.000     2.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.92665E-03 ppm1      7.831 ppm2      0.826 CV     1
 ASSI {  146}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 22   and name HE3 ))
      4.400     2.400     1.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.70862E-03 ppm1      5.851 ppm2      7.096 CV     1
 ASSI {  149}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 22   and name HN  ))
      4.200     2.200     1.800 peak   149 spectrum    1 weight  0.10000E+01 volume  0.72225E-03 ppm1      5.851 ppm2      8.596 CV     1
 ASSI {  153}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 21   and name HG  ))
      3.200     1.300     1.300 peak   153 spectrum    1 weight  0.10000E+01 volume  0.10220E-02 ppm1      5.852 ppm2      1.667 CV     1
 ASSI {  154}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 21   and name HB3 ))
      4.000     2.000     2.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.13258E-02 ppm1      5.852 ppm2      1.520 CV     1
 OR {  154}
   (( segid "A   " and resid 30   and name HA  ))
   (( segid "A   " and resid 21   and name HB2 ))
 ASSI {  155}
   (( segid "A   " and resid 30   and name HA  ))
   (  segid "A   " and resid 21   and name HD2%)
      3.200     1.300     1.300 peak   155 spectrum    1 weight  0.10000E+01 volume  0.34964E-02 ppm1      5.852 ppm2      0.862 CV     1
 ASSI {  191}
   (( segid "A   " and resid 32   and name HA  ))
   (  segid "A   " and resid 19   and name HG2%)
      3.100     1.200     1.200 peak   191 spectrum    1 weight  0.10000E+01 volume  0.38643E-02 ppm1      5.218 ppm2      0.873 CV     1
 OR {  191}
   (( segid "A   " and resid 32   and name HA  ))
   (  segid "A   " and resid 19   and name HG1%)
 ASSI {  198}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak   198 spectrum    1 weight  0.10000E+01 volume  0.97530E-03 ppm1      5.217 ppm2      8.873 CV     1
 ASSI {  238}
   (( segid "A   " and resid 50   and name HB2 ))
   (  segid "A   " and resid 48   and name HB% )
      4.500     2.600     1.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.73782E-03 ppm1      3.188 ppm2      1.379 CV     1
 OR {  238}
   (( segid "A   " and resid 50   and name HB3 ))
   (  segid "A   " and resid 48   and name HB% )
 ASSI {  273}
   (( segid "A   " and resid 45   and name HA  ))
   (  segid "A   " and resid 10   and name HD1%)
      2.300     0.700     0.700 peak   273 spectrum    1 weight  0.10000E+01 volume  0.13466E-01 ppm1      3.861 ppm2      0.858 CV     1
 ASSI {  284}
   (( segid "A   " and resid 38   and name HB  ))
   (( segid "A   " and resid 36   and name HA  ))
      3.900     3.900     2.100 peak   284 spectrum    1 weight  0.10000E+01 volume  0.17132E-02 ppm1      4.765 ppm2      3.933 CV     1
 ASSI {  302}
   (  segid "A   " and resid 59   and name HD1%)
   (( segid "A   " and resid 20   and name HN  ))
      3.700     1.800     1.800 peak   302 spectrum    1 weight  0.10000E+01 volume  0.32511E-03 ppm1      0.921 ppm2      8.833 CV     1
 ASSI {  307}
   (  segid "A   " and resid 41   and name HD2%)
   (( segid "A   " and resid 38   and name HN  ))
      3.500     1.600     1.600 peak   307 spectrum    1 weight  0.10000E+01 volume  0.14932E-02 ppm1      0.923 ppm2      7.321 CV     1
 ASSI {  309}
   (( segid "A   " and resid 29   and name HB3 ))
   (( segid "A   " and resid 22   and name HZ2 ))
      3.600     1.700     1.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.95973E-03 ppm1      0.253 ppm2      7.301 CV     1
 OR {  309}
   (( segid "A   " and resid 29   and name HB2 ))
   (( segid "A   " and resid 22   and name HZ2 ))
 ASSI {  311}
   (( segid "A   " and resid 29   and name HB2 ))
   (( segid "A   " and resid 22   and name HD1 ))
      4.700     2.800     1.300 peak   311 spectrum    1 weight  0.10000E+01 volume  0.25308E-03 ppm1     -0.472 ppm2      6.963 CV     1
 OR {  311}
   (( segid "A   " and resid 29   and name HB3 ))
   (( segid "A   " and resid 22   and name HD1 ))
 ASSI {  312}
   (( segid "A   " and resid 29   and name HB2 ))
   (( segid "A   " and resid 22   and name HE1 ))
      5.000     3.100     1.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.16936E-03 ppm1      0.259 ppm2     10.655 CV     1
 OR {  312}
   (( segid "A   " and resid 29   and name HB3 ))
   (( segid "A   " and resid 22   and name HE1 ))
 ASSI {  315}
   (( segid "A   " and resid 29   and name HB2 ))
   (( segid "A   " and resid 24   and name HB3 ))
      4.700     2.700     1.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.43023E-03 ppm1      0.249 ppm2      1.898 CV     1
 OR {  315}
   (( segid "A   " and resid 29   and name HB2 ))
   (( segid "A   " and resid 24   and name HB2 ))
 OR {  315}
   (( segid "A   " and resid 29   and name HB3 ))
   (( segid "A   " and resid 24   and name HB3 ))
 ASSI {  325}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 24   and name HB3 ))
      3.600     1.600     1.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.20441E-02 ppm1      1.099 ppm2      1.908 CV     1
 OR {  325}
   (( segid "A   " and resid 29   and name HG3 ))
   (( segid "A   " and resid 24   and name HB3 ))
 OR {  325}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 24   and name HB2 ))
 ASSI {  326}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 24   and name HG2 ))
      4.400     2.400     1.600 peak   326 spectrum    1 weight  0.10000E+01 volume  0.72225E-03 ppm1      1.099 ppm2      2.326 CV     1
 OR {  326}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 24   and name HG3 ))
 OR {  326}
   (( segid "A   " and resid 29   and name HG3 ))
   (( segid "A   " and resid 24   and name HG2 ))
 ASSI {  329}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 23   and name HA  ))
      5.300     3.500     0.700 peak   329 spectrum    1 weight  0.10000E+01 volume  0.27449E-03 ppm1      1.099 ppm2      4.716 CV     1
 OR {  329}
   (( segid "A   " and resid 29   and name HG3 ))
   (( segid "A   " and resid 23   and name HA  ))
 ASSI {  333}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 22   and name HD1 ))
      5.000     3.200     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.29007E-03 ppm1      1.096 ppm2      6.976 CV     1
 OR {  333}
   (( segid "A   " and resid 29   and name HG3 ))
   (( segid "A   " and resid 22   and name HD1 ))
 ASSI {  335}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 22   and name HE1 ))
      4.000     2.000     2.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.63659E-03 ppm1      1.097 ppm2     10.658 CV     1
 OR {  335}
   (( segid "A   " and resid 29   and name HG3 ))
   (( segid "A   " and resid 22   and name HE1 ))
 ASSI {  338}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 24   and name HG2 ))
      5.600     3.900     0.400 peak   338 spectrum    1 weight  0.10000E+01 volume  0.31343E-03 ppm1      2.846 ppm2      2.316 CV     1
 ASSI {  339}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 24   and name HG2 ))
      5.000     3.100     1.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.30953E-03 ppm1      2.896 ppm2      2.306 CV     1
 OR {  339}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 24   and name HG3 ))
 ASSI {  340}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 24   and name HB3 ))
      3.000     1.100     1.100 peak   340 spectrum    1 weight  0.10000E+01 volume  0.17949E-02 ppm1      2.895 ppm2      1.895 CV     1
 OR {  340}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 24   and name HB2 ))
 ASSI {  341}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 24   and name HB3 ))
      4.000     2.000     2.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.18494E-02 ppm1      2.846 ppm2      1.896 CV     1
 OR {  341}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 24   and name HB2 ))
 ASSI {  342}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 27   and name HG3 ))
      4.400     2.500     1.600 peak   342 spectrum    1 weight  0.10000E+01 volume  0.60934E-03 ppm1      2.894 ppm2      1.644 CV     1
 OR {  342}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 27   and name HG2 ))
 ASSI {  343}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 27   and name HG3 ))
      3.500     1.500     1.500 peak   343 spectrum    1 weight  0.10000E+01 volume  0.74172E-03 ppm1      2.845 ppm2      1.640 CV     1
 OR {  343}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 27   and name HG2 ))
 ASSI {  349}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 23   and name HA  ))
      3.700     1.700     1.700 peak   349 spectrum    1 weight  0.10000E+01 volume  0.35236E-03 ppm1      2.847 ppm2      4.720 CV     1
 ASSI {  350}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 23   and name HA  ))
      4.500     2.500     1.500 peak   350 spectrum    1 weight  0.10000E+01 volume  0.33290E-03 ppm1      2.896 ppm2      4.720 CV     1
 ASSI {  352}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 22   and name HZ2 ))
      4.700     2.700     1.300 peak   352 spectrum    1 weight  0.10000E+01 volume  0.66190E-03 ppm1      2.845 ppm2      7.276 CV     1
 ASSI {  353}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 22   and name HD1 ))
      4.700     2.700     1.300 peak   353 spectrum    1 weight  0.10000E+01 volume  0.23750E-03 ppm1      2.894 ppm2      6.969 CV     1
 ASSI {  357}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 22   and name HE1 ))
      4.100     2.200     1.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.46333E-03 ppm1      2.893 ppm2     10.653 CV     1
 ASSI {  358}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 22   and name HE1 ))
      4.900     3.000     1.100 peak   358 spectrum    1 weight  0.10000E+01 volume  0.58597E-03 ppm1      2.842 ppm2     10.657 CV     1
 ASSI {  361}
   (  segid "A   " and resid 45   and name HD1%)
   (  segid "A   " and resid 19   and name HG2%)
      2.400     0.700     0.700 peak   361 spectrum    1 weight  0.10000E+01 volume  0.13174E-01 ppm1      0.403 ppm2      0.883 CV     1
 ASSI {  363}
   (  segid "A   " and resid 45   and name HD1%)
   (( segid "A   " and resid 41   and name HG  ))
      3.300     1.300     1.300 peak   363 spectrum    1 weight  0.10000E+01 volume  0.34010E-02 ppm1      0.404 ppm2      1.467 CV     1
 ASSI {  365}
   (  segid "A   " and resid 45   and name HD1%)
   (( segid "B   " and resid 30   and name HB3 ))
      3.800     1.800     1.800 peak   365 spectrum    1 weight  0.10000E+01 volume  0.32121E-03 ppm1      0.402 ppm2      2.800 CV     1
 OR {  365}
   (  segid "A   " and resid 45   and name HD1%)
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  365}
   (  segid "A   " and resid 45   and name HD1%)
   (( segid "A   " and resid 30   and name HB2 ))
 ASSI {  366}
   (  segid "A   " and resid 45   and name HD1%)
   (( segid "A   " and resid 42   and name HG3 ))
      3.500     1.600     1.600 peak   366 spectrum    1 weight  0.10000E+01 volume  0.44970E-03 ppm1      0.403 ppm2      2.236 CV     1
 OR {  366}
   (  segid "A   " and resid 45   and name HD1%)
   (( segid "A   " and resid 42   and name HG2 ))
 ASSI {  371}
   (  segid "A   " and resid 45   and name HD1%)
   (  segid "A   " and resid 30   and name HE% )
      4.500     2.500     1.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.40298E-03 ppm1      0.402 ppm2      7.258 CV     1
 ASSI {  372}
   (  segid "A   " and resid 45   and name HD1%)
   (  segid "A   " and resid 30   and name HD% )
      3.700     1.700     1.700 peak   372 spectrum    1 weight  0.10000E+01 volume  0.36989E-03 ppm1      0.403 ppm2      6.750 CV     1
 ASSI {  373}
   (  segid "A   " and resid 45   and name HD1%)
   (( segid "A   " and resid 42   and name HN  ))
      4.100     2.100     1.900 peak   373 spectrum    1 weight  0.10000E+01 volume  0.18105E-03 ppm1      0.402 ppm2      8.639 CV     1
 ASSI {  379}
   (  segid "A   " and resid 45   and name HD2%)
   (  segid "A   " and resid 19   and name HG1%)
      2.200     0.600     0.600 peak   379 spectrum    1 weight  0.10000E+01 volume  0.19528E-01 ppm1      0.622 ppm2      0.865 CV     1
 OR {  379}
   (  segid "A   " and resid 45   and name HD2%)
   (  segid "A   " and resid 19   and name HG2%)
 ASSI {  381}
   (  segid "A   " and resid 45   and name HD2%)
   (  segid "A   " and resid 14   and name HB% )
      2.700     0.900     0.900 peak   381 spectrum    1 weight  0.10000E+01 volume  0.54529E-02 ppm1      0.622 ppm2      1.421 CV     1
 ASSI {  385}
   (  segid "A   " and resid 45   and name HD2%)
   (( segid "A   " and resid 30   and name HZ  ))
      4.600     2.700     1.400 peak   385 spectrum    1 weight  0.10000E+01 volume  0.38935E-03 ppm1      0.623 ppm2      7.276 CV     1
 ASSI {  386}
   (  segid "A   " and resid 45   and name HD2%)
   (  segid "A   " and resid 30   and name HD% )
      3.900     3.900     2.100 peak   386 spectrum    1 weight  0.10000E+01 volume  0.25113E-03 ppm1      0.621 ppm2      6.740 CV     1
 ASSI {  387}
   (  segid "A   " and resid 45   and name HD2%)
   (( segid "A   " and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.23361E-03 ppm1      0.623 ppm2      8.823 CV     1
 ASSI {  392}
   (  segid "A   " and resid 30   and name HD% )
   (( segid "A   " and resid 21   and name HN  ))
      6.000     4.600     0.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.12849E-03 ppm1      6.742 ppm2      8.154 CV     1
 ASSI {  406}
   (  segid "A   " and resid 17   and name HD1%)
   (( segid "A   " and resid 13   and name HB2 ))
      4.500     2.500     1.500 peak   406 spectrum    1 weight  0.10000E+01 volume  0.23556E-03 ppm1      0.629 ppm2      3.281 CV     1
 ASSI {  419}
   (  segid "A   " and resid 17   and name HD2%)
   (( segid "A   " and resid 14   and name HA  ))
      4.900     3.100     1.100 peak   419 spectrum    1 weight  0.10000E+01 volume  0.73977E-03 ppm1      0.804 ppm2      3.743 CV     1
 ASSI {  421}
   (  segid "A   " and resid 17   and name HD2%)
   (( segid "A   " and resid 13   and name HE1 ))
      6.000     5.100     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.14990E-03 ppm1      0.801 ppm2      6.583 CV     1
 ASSI {  426}
   (( segid "A   " and resid 17   and name HB2 ))
   (( segid "A   " and resid 14   and name HA  ))
      3.800     1.800     1.800 peak   426 spectrum    1 weight  0.10000E+01 volume  0.69694E-03 ppm1      1.764 ppm2      3.745 CV     1
 OR {  426}
   (( segid "A   " and resid 17   and name HB3 ))
   (( segid "A   " and resid 14   and name HA  ))
 ASSI {  427}
   (( segid "A   " and resid 29   and name HB3 ))
   (( segid "A   " and resid 22   and name HZ3 ))
      5.700     4.000     0.300 peak   427 spectrum    1 weight  0.10000E+01 volume  0.79818E-04 ppm1      0.247 ppm2      6.725 CV     1
 OR {  427}
   (( segid "A   " and resid 29   and name HB2 ))
   (( segid "A   " and resid 22   and name HZ3 ))
 ASSI {  428}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 24   and name HG2 ))
      4.500     2.500     1.500 peak   428 spectrum    1 weight  0.10000E+01 volume  0.65606E-03 ppm1      0.959 ppm2      2.334 CV     1
 OR {  428}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 24   and name HG3 ))
 OR {  428}
   (( segid "A   " and resid 29   and name HG3 ))
   (( segid "A   " and resid 24   and name HG2 ))
 ASSI {  432}
   (( segid "A   " and resid 29   and name HD2 ))
   (( segid "A   " and resid 27   and name HA  ))
      3.300     3.300     2.700 peak   432 spectrum    1 weight  0.10000E+01 volume  0.74561E-03 ppm1      2.845 ppm2      4.529 CV     1
 ASSI {  433}
   (( segid "A   " and resid 29   and name HD3 ))
   (( segid "A   " and resid 27   and name HA  ))
      3.400     3.400     2.600 peak   433 spectrum    1 weight  0.10000E+01 volume  0.60934E-03 ppm1      2.896 ppm2      4.531 CV     1
 ASSI {  443}
   (( segid "A   " and resid 33   and name HD2 ))
   (( segid "A   " and resid 19   and name HA  ))
      3.700     1.700     1.700 peak   443 spectrum    1 weight  0.10000E+01 volume  0.11116E-02 ppm1      3.248 ppm2      4.261 CV     1
 ASSI {  444}
   (( segid "A   " and resid 33   and name HD3 ))
   (( segid "A   " and resid 19   and name HA  ))
      3.300     1.400     1.400 peak   444 spectrum    1 weight  0.10000E+01 volume  0.15301E-02 ppm1      3.988 ppm2      4.277 CV     1
 ASSI {  446}
   (( segid "A   " and resid 33   and name HD3 ))
   (( segid "A   " and resid 19   and name HN  ))
      4.700     2.800     1.300 peak   446 spectrum    1 weight  0.10000E+01 volume  0.22582E-03 ppm1      3.986 ppm2      7.846 CV     1
 ASSI {  447}
   (( segid "A   " and resid 33   and name HD2 ))
   (( segid "A   " and resid 19   and name HN  ))
      5.300     3.500     0.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.12654E-03 ppm1      3.245 ppm2      7.846 CV     1
 ASSI {  449}
   (( segid "A   " and resid 33   and name HD3 ))
   (( segid "A   " and resid 20   and name HN  ))
      5.000     3.100     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.29396E-03 ppm1      3.988 ppm2      8.870 CV     1
 ASSI {  450}
   (( segid "A   " and resid 33   and name HD2 ))
   (( segid "A   " and resid 20   and name HN  ))
      3.900     1.900     1.900 peak   450 spectrum    1 weight  0.10000E+01 volume  0.26281E-03 ppm1      3.249 ppm2      8.870 CV     1
 ASSI {  492}
   (( segid "A   " and resid 33   and name HG2 ))
   (( segid "A   " and resid 19   and name HN  ))
      5.100     3.300     0.900 peak   492 spectrum    1 weight  0.10000E+01 volume  0.17910E-03 ppm1      2.297 ppm2      7.870 CV     1
 OR {  492}
   (( segid "A   " and resid 33   and name HG3 ))
   (( segid "A   " and resid 19   and name HN  ))
 ASSI {  494}
   (  segid "A   " and resid 32   and name HB% )
   (  segid "A   " and resid 19   and name HG1%)
      2.300     0.700     0.700 peak   494 spectrum    1 weight  0.10000E+01 volume  0.13337E-01 ppm1      1.490 ppm2      0.873 CV     1
 OR {  494}
   (  segid "A   " and resid 32   and name HB% )
   (  segid "A   " and resid 19   and name HG2%)
 ASSI {  498}
   (  segid "A   " and resid 32   and name HB% )
   (( segid "A   " and resid 20   and name HB2 ))
      2.500     2.500     3.500 peak   498 spectrum    1 weight  0.10000E+01 volume  0.34166E-02 ppm1      1.490 ppm2      1.973 CV     1
 OR {  498}
   (  segid "A   " and resid 32   and name HB% )
   (( segid "A   " and resid 20   and name HB3 ))
 ASSI {  499}
   (  segid "A   " and resid 32   and name HB% )
   (( segid "A   " and resid 30   and name HB3 ))
      3.900     1.900     1.900 peak   499 spectrum    1 weight  0.10000E+01 volume  0.24335E-03 ppm1      1.489 ppm2      2.800 CV     1
 OR {  499}
   (  segid "A   " and resid 32   and name HB% )
   (( segid "A   " and resid 30   and name HB2 ))
 ASSI {  505}
   (  segid "A   " and resid 32   and name HB% )
   (( segid "A   " and resid 30   and name HA  ))
      4.700     2.800     1.300 peak   505 spectrum    1 weight  0.10000E+01 volume  0.79818E-04 ppm1      1.494 ppm2      5.859 CV     1
 ASSI {  508}
   (( segid "A   " and resid 34   and name HA  ))
   (  segid "A   " and resid 32   and name HB% )
      4.800     2.900     1.200 peak   508 spectrum    1 weight  0.10000E+01 volume  0.22582E-03 ppm1      4.390 ppm2      1.454 CV     1
 ASSI {  556}
   (  segid "A   " and resid 38   and name HG2%)
   (( segid "A   " and resid 36   and name HA  ))
      3.000     1.100     1.100 peak   556 spectrum    1 weight  0.10000E+01 volume  0.36638E-02 ppm1      1.372 ppm2      3.932 CV     1
 ASSI {  558}
   (  segid "A   " and resid 38   and name HG2%)
   (( segid "A   " and resid 36   and name HB  ))
      4.600     2.700     1.400 peak   558 spectrum    1 weight  0.10000E+01 volume  0.58987E-03 ppm1      1.373 ppm2      2.003 CV     1
 ASSI {  608}
   (( segid "A   " and resid 56   and name HA  ))
   (( segid "A   " and resid 22   and name HA  ))
      5.400     3.600     0.600 peak   608 spectrum    1 weight  0.10000E+01 volume  0.21609E-03 ppm1      4.025 ppm2      4.909 CV     1
 ASSI {  621}
   (( segid "A   " and resid 53   and name HA  ))
   (( segid "A   " and resid 50   and name HA  ))
      6.000     4.600     0.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.19467E-03 ppm1      3.500 ppm2      4.313 CV     1
 ASSI {  683}
   (( segid "A   " and resid 41   and name HB3 ))
   (( segid "A   " and resid 37   and name HA  ))
      3.700     1.700     1.700 peak   683 spectrum    1 weight  0.10000E+01 volume  0.93053E-03 ppm1      1.981 ppm2      4.654 CV     1
 OR {  683}
   (( segid "A   " and resid 41   and name HB2 ))
   (( segid "A   " and resid 37   and name HA  ))
 ASSI {  685}
   (( segid "A   " and resid 41   and name HB3 ))
   (( segid "A   " and resid 38   and name HN  ))
      3.300     1.400     1.400 peak   685 spectrum    1 weight  0.10000E+01 volume  0.13822E-02 ppm1      1.980 ppm2      7.321 CV     1
 OR {  685}
   (( segid "A   " and resid 41   and name HB2 ))
   (( segid "A   " and resid 38   and name HN  ))
 ASSI {  714}
   (  segid "A   " and resid 37   and name HE% )
   (  segid "A   " and resid 30   and name HD% )
      2.800     1.000     1.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.18222E-02 ppm1      1.263 ppm2      6.748 CV     1
 ASSI {  715}
   (  segid "A   " and resid 37   and name HE% )
   (  segid "A   " and resid 30   and name HE% )
      3.000     1.100     1.100 peak   715 spectrum    1 weight  0.10000E+01 volume  0.21998E-02 ppm1      1.263 ppm2      7.257 CV     1
 ASSI {  716}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 19   and name HN  ))
      3.900     1.900     1.900 peak   716 spectrum    1 weight  0.10000E+01 volume  0.26865E-03 ppm1      1.263 ppm2      7.841 CV     1
 ASSI {  718}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak   718 spectrum    1 weight  0.10000E+01 volume  0.37767E-03 ppm1      1.260 ppm2      8.923 CV     1
 ASSI {  720}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 30   and name HA  ))
      4.100     2.100     1.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.19273E-03 ppm1      1.264 ppm2      5.843 CV     1
 ASSI {  721}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 32   and name HA  ))
      5.500     3.800     0.500 peak   721 spectrum    1 weight  0.10000E+01 volume  0.22388E-03 ppm1      1.261 ppm2      5.220 CV     1
 ASSI {  723}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 19   and name HA  ))
      3.400     1.500     1.500 peak   723 spectrum    1 weight  0.10000E+01 volume  0.55288E-03 ppm1      1.262 ppm2      4.259 CV     1
 ASSI {  725}
   (  segid "A   " and resid 37   and name HE% )
   (( segid "A   " and resid 33   and name HD3 ))
      3.400     3.400     2.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.60739E-03 ppm1      1.263 ppm2      4.022 CV     1
 ASSI {  731}
   (  segid "A   " and resid 37   and name HE% )
   (  segid "A   " and resid 19   and name HG2%)
      2.300     0.700     0.700 peak   731 spectrum    1 weight  0.10000E+01 volume  0.13106E-01 ppm1      1.262 ppm2      0.875 CV     1
 ASSI {  754}
   (( segid "A   " and resid 42   and name HB3 ))
   (( segid "A   " and resid 39   and name HA  ))
      2.700     0.900     0.900 peak   754 spectrum    1 weight  0.10000E+01 volume  0.48571E-02 ppm1      2.068 ppm2      4.291 CV     1
 OR {  754}
   (( segid "A   " and resid 42   and name HB2 ))
   (( segid "A   " and resid 39   and name HA  ))
 ASSI {  760}
   (( segid "A   " and resid 42   and name HB2 ))
   (  segid "A   " and resid 37   and name HE% )
      4.300     2.300     1.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.65411E-03 ppm1      2.073 ppm2      1.278 CV     1
 OR {  760}
   (( segid "A   " and resid 42   and name HB3 ))
   (  segid "A   " and resid 37   and name HE% )
 ASSI {  767}
   (( segid "A   " and resid 42   and name HG3 ))
   (  segid "A   " and resid 37   and name HE% )
      4.800     2.900     1.200 peak   767 spectrum    1 weight  0.10000E+01 volume  0.44776E-03 ppm1      2.272 ppm2      1.273 CV     1
 OR {  767}
   (( segid "A   " and resid 42   and name HG2 ))
   (  segid "A   " and resid 37   and name HE% )
 ASSI {  795}
   (( segid "A   " and resid 13   and name HE1 ))
   (  segid "A   " and resid 10   and name HD1%)
      3.300     1.400     1.400 peak   795 spectrum    1 weight  0.10000E+01 volume  0.22251E-02 ppm1      6.593 ppm2      0.849 CV     1
 ASSI {  796}
   (  segid "A   " and resid 41   and name HD2%)
   (( segid "A   " and resid 13   and name HE1 ))
      4.500     2.500     1.500 peak   796 spectrum    1 weight  0.10000E+01 volume  0.53341E-03 ppm1      0.922 ppm2      6.592 CV     1
 ASSI {  839}
   (( segid "A   " and resid 31   and name HG2 ))
   (( segid "A   " and resid 22   and name HH2 ))
      4.000     2.000     2.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.17676E-02 ppm1      2.485 ppm2      6.884 CV     1
 OR {  839}
   (( segid "A   " and resid 31   and name HG3 ))
   (( segid "A   " and resid 22   and name HH2 ))
 ASSI {  875}
   (( segid "A   " and resid 28   and name HA  ))
   (( segid "A   " and resid 23   and name HA  ))
      3.000     1.100     1.100 peak   875 spectrum    1 weight  0.10000E+01 volume  0.14659E-02 ppm1      4.483 ppm2      4.732 CV     1
 ASSI {  893}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 38   and name HN  ))
      5.600     3.900     0.400 peak   893 spectrum    1 weight  0.10000E+01 volume  0.21220E-03 ppm1      4.097 ppm2      7.328 CV     1
 ASSI {  912}
   (( segid "A   " and resid 11   and name HB3 ))
   (( segid "A   " and resid 8    and name HA1 ))
      2.900     1.000     1.000 peak   912 spectrum    1 weight  0.10000E+01 volume  0.26593E-02 ppm1      1.685 ppm2      3.555 CV     1
 OR {  912}
   (( segid "A   " and resid 11   and name HB2 ))
   (( segid "A   " and resid 8    and name HA1 ))
 ASSI {  923}
   (( segid "A   " and resid 13   and name HB3 ))
   (( segid "A   " and resid 10   and name HB2 ))
      4.300     2.300     1.700 peak   923 spectrum    1 weight  0.10000E+01 volume  0.89551E-03 ppm1      3.268 ppm2      1.736 CV     1
 OR {  923}
   (( segid "A   " and resid 13   and name HB2 ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  960}
   (( segid "A   " and resid 40   and name HA  ))
   (( segid "A   " and resid 38   and name HB  ))
      5.900     4.300     0.100 peak   960 spectrum    1 weight  0.10000E+01 volume  0.16353E-03 ppm1      4.069 ppm2      4.746 CV     1
 ASSI {  983}
   (( segid "A   " and resid 53   and name HB  ))
   (( segid "A   " and resid 50   and name HB3 ))
      4.900     3.000     1.100 peak   983 spectrum    1 weight  0.10000E+01 volume  0.35626E-03 ppm1      1.864 ppm2      3.190 CV     1
 OR {  983}
   (( segid "A   " and resid 53   and name HB  ))
   (( segid "A   " and resid 50   and name HB2 ))
 ASSI {  990}
   (( segid "A   " and resid 53   and name HB  ))
   (( segid "A   " and resid 51   and name HN  ))
      4.300     2.300     1.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.14017E-03 ppm1      1.863 ppm2      8.256 CV     1
 ASSI {  998}
   (( segid "A   " and resid 10   and name HB3 ))
   (( segid "A   " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.47774E-02 ppm1      1.749 ppm2      4.055 CV     1
 OR {  998}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 7    and name HA  ))
 ASSI { 1012}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 56   and name HB3 ))
      3.400     3.400     2.600 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.53925E-03 ppm1      2.563 ppm2      1.541 CV     1
 OR { 1012}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 56   and name HB2 ))
 OR { 1012}
   (( segid "A   " and resid 58   and name HB2 ))
   (( segid "A   " and resid 56   and name HB3 ))
 ASSI { 1016}
   (( segid "A   " and resid 58   and name HB3 ))
   (( segid "A   " and resid 20   and name HA  ))
      4.800     2.800     1.200 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.28422E-03 ppm1      2.368 ppm2      5.069 CV     1
 OR { 1016}
   (( segid "A   " and resid 58   and name HB2 ))
   (( segid "A   " and resid 20   and name HA  ))
 ASSI { 1019}
   (( segid "A   " and resid 58   and name HB3 ))
   (  segid "A   " and resid 55   and name HD2%)
      3.100     1.200     1.200 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.97925E-03 ppm1      2.370 ppm2      0.919 CV     1
 OR { 1019}
   (( segid "A   " and resid 58   and name HB2 ))
   (  segid "A   " and resid 55   and name HD2%)
 ASSI { 1031}
   (( segid "A   " and resid 24   and name HG2 ))
   (( segid "A   " and resid 22   and name HE1 ))
      4.000     2.000     2.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.10279E-02 ppm1      2.265 ppm2     10.640 CV     1
 OR { 1031}
   (( segid "A   " and resid 24   and name HG3 ))
   (( segid "A   " and resid 22   and name HE1 ))
 ASSI { 1032}
   (( segid "A   " and resid 24   and name HB2 ))
   (( segid "A   " and resid 22   and name HE1 ))
      3.700     1.700     1.700 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.10143E-02 ppm1      1.859 ppm2     10.658 CV     1
 OR { 1032}
   (( segid "A   " and resid 24   and name HB3 ))
   (( segid "A   " and resid 22   and name HE1 ))
 ASSI { 1043}
   (  segid "A   " and resid 30   and name HD% )
   (( segid "A   " and resid 19   and name HA  ))
      5.700     4.000     0.300 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.14601E-03 ppm1      6.746 ppm2      4.247 CV     1
 ASSI { 1098}
   (( segid "A   " and resid 30   and name HB2 ))
   (( segid "A   " and resid 21   and name HG  ))
      4.200     2.200     1.800 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.95392E-03 ppm1      2.765 ppm2      1.672 CV     1
 OR { 1098}
   (( segid "A   " and resid 30   and name HB3 ))
   (( segid "A   " and resid 21   and name HG  ))
 ASSI { 1107}
   (  segid "A   " and resid 56   and name HD2%)
   (( segid "A   " and resid 54   and name HN  ))
      5.500     3.700     0.500 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.15964E-03 ppm1      0.706 ppm2      7.327 CV     1
 ASSI { 1108}
   (  segid "A   " and resid 56   and name HD2%)
   (( segid "A   " and resid 22   and name HD1 ))
      4.300     2.300     1.700 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.14406E-03 ppm1      0.708 ppm2      6.997 CV     1
 ASSI { 1110}
   (  segid "A   " and resid 56   and name HD2%)
   (( segid "A   " and resid 21   and name HA  ))
      3.700     3.700     2.300 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.36793E-03 ppm1      0.707 ppm2      5.586 CV     1
 ASSI { 1113}
   (  segid "A   " and resid 56   and name HD2%)
   (( segid "A   " and resid 53   and name HA  ))
      3.300     1.400     1.400 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.15964E-02 ppm1      0.707 ppm2      3.499 CV     1
 ASSI { 1114}
   (  segid "A   " and resid 56   and name HD2%)
   (( segid "A   " and resid 22   and name HB3 ))
      4.600     2.700     1.400 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.32900E-03 ppm1      0.707 ppm2      3.241 CV     1
 OR { 1114}
   (  segid "A   " and resid 56   and name HD2%)
   (( segid "A   " and resid 22   and name HB2 ))
 ASSI { 1118}
   (  segid "A   " and resid 56   and name HD1%)
   (( segid "A   " and resid 53   and name HA  ))
      4.700     2.800     1.300 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.75924E-03 ppm1      1.000 ppm2      3.493 CV     1
 ASSI { 1120}
   (  segid "A   " and resid 56   and name HD1%)
   (( segid "A   " and resid 22   and name HA  ))
      3.600     1.700     1.700 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.15808E-02 ppm1      1.001 ppm2      4.905 CV     1
 ASSI { 1121}
   (  segid "A   " and resid 56   and name HD1%)
   (( segid "A   " and resid 21   and name HA  ))
      4.200     2.200     1.800 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.15574E-03 ppm1      1.003 ppm2      5.590 CV     1
 ASSI { 1123}
   (  segid "A   " and resid 56   and name HD1%)
   (( segid "A   " and resid 22   and name HD1 ))
      4.100     2.100     1.900 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.20051E-03 ppm1      1.002 ppm2      7.022 CV     1
 ASSI { 1146}
   (( segid "A   " and resid 24   and name HA  ))
   (( segid "A   " and resid 22   and name HD1 ))
      4.900     3.000     1.100 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.22777E-03 ppm1      4.666 ppm2      6.981 CV     1
 ASSI { 1185}
   (( segid "A   " and resid 27   and name HB3 ))
   (( segid "A   " and resid 24   and name HN  ))
      4.800     2.900     1.200 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.23361E-03 ppm1      1.739 ppm2      8.646 CV     1
 OR { 1185}
   (( segid "A   " and resid 27   and name HB2 ))
   (( segid "A   " and resid 24   and name HN  ))
 ASSI { 1199}
   (( segid "A   " and resid 28   and name HB2 ))
   (( segid "A   " and resid 23   and name HB  ))
      3.100     1.200     1.200 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.33153E-02 ppm1      1.278 ppm2      1.928 CV     1
 OR { 1199}
   (( segid "A   " and resid 28   and name HB3 ))
   (( segid "A   " and resid 23   and name HB  ))
 ASSI { 1212}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 21   and name HA  ))
      4.400     2.400     1.600 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.45554E-03 ppm1      0.800 ppm2      5.589 CV     1
 ASSI { 1214}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 22   and name HA  ))
      4.700     2.800     1.300 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.24529E-03 ppm1      0.800 ppm2      4.909 CV     1
 ASSI { 1215}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 23   and name HA  ))
      4.200     2.200     1.800 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.64243E-03 ppm1      0.800 ppm2      4.727 CV     1
 ASSI { 1218}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 22   and name HB3 ))
      3.100     3.100     2.900 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.93448E-03 ppm1      0.800 ppm2      3.504 CV     1
 OR { 1218}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 22   and name HB2 ))
 ASSI { 1221}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 24   and name HB3 ))
      3.300     3.300     2.700 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.49448E-02 ppm1      0.800 ppm2      1.919 CV     1
 OR { 1221}
   (  segid "A   " and resid 28   and name HD2%)
   (( segid "A   " and resid 24   and name HB2 ))
 ASSI { 1230}
   (( segid "A   " and resid 53   and name HG13))
   (( segid "A   " and resid 50   and name HA  ))
      4.400     2.500     1.600 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.34847E-03 ppm1      0.800 ppm2      4.308 CV     1
 ASSI { 1248}
   (( segid "A   " and resid 41   and name HG  ))
   (( segid "A   " and resid 37   and name HA  ))
      6.000     4.800     0.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.19663E-03 ppm1      1.489 ppm2      4.668 CV     1
 ASSI { 1272}
   (( segid "A   " and resid 20   and name HG3 ))
   (( segid "A   " and resid 18   and name HA1 ))
      3.700     1.700     1.700 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.80012E-03 ppm1      1.796 ppm2      4.301 CV     1
 OR { 1272}
   (( segid "A   " and resid 20   and name HG2 ))
   (( segid "A   " and resid 18   and name HA1 ))
 ASSI { 1300}
   (( segid "A   " and resid 37   and name HG2 ))
   (  segid "A   " and resid 30   and name HD% )
      4.000     2.000     2.000 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.20636E-03 ppm1      2.517 ppm2      6.760 CV     1
 OR { 1300}
   (( segid "A   " and resid 37   and name HG3 ))
   (  segid "A   " and resid 30   and name HD% )
 ASSI { 1314}
   (( segid "A   " and resid 58   and name HG2 ))
   (( segid "A   " and resid 15   and name HA  ))
      4.200     2.200     1.800 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.79622E-03 ppm1      2.677 ppm2      4.477 CV     1
 OR { 1314}
   (( segid "A   " and resid 58   and name HG3 ))
   (( segid "A   " and resid 15   and name HA  ))
 ASSI { 1319}
   (( segid "A   " and resid 58   and name HG3 ))
   (  segid "A   " and resid 15   and name HB% )
      3.400     1.500     1.500 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.19740E-02 ppm1      2.676 ppm2      1.541 CV     1
 OR { 1319}
   (( segid "A   " and resid 58   and name HG2 ))
   (  segid "A   " and resid 15   and name HB% )
 ASSI { 1324}
   (( segid "A   " and resid 58   and name HG2 ))
   (  segid "A   " and resid 55   and name HD2%)
      2.800     2.800     3.200 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.16995E-02 ppm1      2.513 ppm2      0.905 CV     1
 OR { 1324}
   (( segid "A   " and resid 58   and name HG3 ))
   (  segid "A   " and resid 55   and name HD2%)
 ASSI { 1361}
   (( segid "A   " and resid 66   and name HA2 ))
   (( segid "A   " and resid 64   and name HB2 ))
      3.900     1.900     1.900 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.23750E-03 ppm1      4.067 ppm2      1.983 CV     1
 OR { 1361}
   (( segid "A   " and resid 66   and name HA2 ))
   (( segid "A   " and resid 64   and name HB3 ))
 ASSI { 1386}
   (  segid "A   " and resid 11   and name HD2%)
   (( segid "A   " and resid 8    and name HA1 ))
      5.200     3.300     0.800 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.48279E-03 ppm1      0.961 ppm2      3.552 CV     1
 ASSI { 1411}
   (( segid "A   " and resid 11   and name HG  ))
   (( segid "A   " and resid 8    and name HA1 ))
      4.100     2.100     1.900 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.80206E-03 ppm1      1.710 ppm2      3.550 CV     1
 ASSI { 1420}
   (  segid "A   " and resid 56   and name HD2%)
   (( segid "A   " and resid 23   and name HA  ))
      3.300     3.300     2.700 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.67163E-03 ppm1      0.711 ppm2      4.718 CV     1
 ASSI { 1428}
   (( segid "A   " and resid 56   and name HB3 ))
   (( segid "A   " and resid 53   and name HA  ))
      3.200     1.300     1.300 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.20363E-02 ppm1      1.903 ppm2      3.514 CV     1
 OR { 1428}
   (( segid "A   " and resid 56   and name HB2 ))
   (( segid "A   " and resid 53   and name HA  ))
 ASSI { 1457}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 22   and name HH2 ))
      3.000     1.100     1.100 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.30447E-02 ppm1      2.272 ppm2      6.894 CV     1
 OR { 1457}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 22   and name HH2 ))
 ASSI { 1459}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 22   and name HE3 ))
      4.500     2.500     1.500 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.60349E-03 ppm1      2.275 ppm2      7.104 CV     1
 ASSI { 1465}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 20   and name HD2 ))
      3.900     1.900     1.900 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.83710E-03 ppm1      2.274 ppm2      3.234 CV     1
 OR { 1465}
   (( segid "A   " and resid 31   and name HB3 ))
   (( segid "A   " and resid 20   and name HD3 ))
 OR { 1465}
   (( segid "A   " and resid 31   and name HB2 ))
   (( segid "A   " and resid 20   and name HD2 ))
 ASSI { 1468}
   (( segid "A   " and resid 31   and name HB3 ))
   (  segid "A   " and resid 19   and name HG2%)
      4.300     2.400     1.700 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.97925E-03 ppm1      2.274 ppm2      0.881 CV     1
 OR { 1468}
   (( segid "A   " and resid 31   and name HB2 ))
   (  segid "A   " and resid 19   and name HG2%)
 ASSI { 1469}
   (( segid "A   " and resid 58   and name HG2 ))
   (( segid "A   " and resid 20   and name HA  ))
      5.100     3.300     0.900 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.17132E-03 ppm1      2.518 ppm2      5.066 CV     1
 OR { 1469}
   (( segid "A   " and resid 58   and name HG3 ))
   (( segid "A   " and resid 20   and name HA  ))
 ASSI { 1485}
   (  segid "A   " and resid 17   and name HD2%)
   (( segid "A   " and resid 13   and name HB2 ))
      4.100     2.100     1.900 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.17716E-03 ppm1      0.807 ppm2      3.265 CV     1
 ASSI { 1491}
   (( segid "A   " and resid 45   and name HB2 ))
   (( segid "A   " and resid 42   and name HE22))
      4.700     2.700     1.300 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.29007E-03 ppm1      0.995 ppm2      7.272 CV     1
 OR { 1491}
   (( segid "A   " and resid 45   and name HB3 ))
   (( segid "A   " and resid 42   and name HE22))
 ASSI { 1499}
   (  segid "A   " and resid 19   and name HG1%)
   (( segid "A   " and resid 14   and name HA  ))
      3.700     1.800     1.800 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.21823E-02 ppm1      0.868 ppm2      3.742 CV     1
 ASSI { 1511}
   (  segid "A   " and resid 12   and name HB% )
   (( segid "A   " and resid 8    and name HA2 ))
      2.600     2.600     3.400 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.29260E-02 ppm1      1.536 ppm2      3.801 CV     1
 ASSI { 1512}
   (  segid "A   " and resid 12   and name HB% )
   (( segid "A   " and resid 8    and name HA1 ))
      2.800     2.800     3.200 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.17891E-02 ppm1      1.535 ppm2      3.554 CV     1
 ASSI { 1534}
   (( segid "A   " and resid 50   and name HD2 ))
   (( segid "A   " and resid 48   and name HA  ))
      6.000     5.600     0.000 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.93448E-04 ppm1      8.071 ppm2      4.954 CV     1
 ASSI { 1537}
   (( segid "A   " and resid 50   and name HD2 ))
   (  segid "A   " and resid 48   and name HB% )
      5.600     3.900     0.400 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.12459E-03 ppm1      8.072 ppm2      1.364 CV     1
 ASSI { 1539}
   (( segid "A   " and resid 51   and name HB3 ))
   (( segid "A   " and resid 48   and name HA  ))
      5.200     3.400     0.800 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.40688E-03 ppm1      2.020 ppm2      4.950 CV     1
 OR { 1539}
   (( segid "A   " and resid 51   and name HB2 ))
   (( segid "A   " and resid 48   and name HA  ))
 ASSI { 1542}
   (( segid "A   " and resid 37   and name HB2 ))
   (( segid "A   " and resid 30   and name HZ  ))
      4.200     2.200     1.800 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.13705E-02 ppm1      2.178 ppm2      7.293 CV     1
 OR { 1542}
   (( segid "A   " and resid 37   and name HB3 ))
   (( segid "A   " and resid 30   and name HZ  ))
 ASSI { 1549}
   (( segid "A   " and resid 52   and name HG  ))
   (( segid "A   " and resid 48   and name HN  ))
      4.000     2.000     2.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.38935E-03 ppm1      1.800 ppm2      7.293 CV     1
 ASSI { 1551}
   (( segid "A   " and resid 52   and name HG  ))
   (  segid "A   " and resid 48   and name HB% )
      2.900     2.900     3.100 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.41330E-02 ppm1      1.801 ppm2      1.406 CV     1
 ASSI { 1565}
   (  segid "A   " and resid 45   and name HD1%)
   (  segid "A   " and resid 41   and name HD1%)
      2.600     2.600     3.400 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.26028E-02 ppm1      0.402 ppm2      0.967 CV     1
 ASSI { 1590}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 75   and name HB3 ))
      4.400     2.400     1.600 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.12070E-03 ppm1      4.552 ppm2      2.856 CV     1
 OR { 1590}
   (( segid "A   " and resid 77   and name HA  ))
   (( segid "A   " and resid 75   and name HB2 ))
 ASSI { 1611}
   (( segid "A   " and resid 27   and name HG3 ))
   (( segid "A   " and resid 24   and name HN  ))
      5.700     4.100     0.300 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.11486E-03 ppm1      1.615 ppm2      8.641 CV     1
 OR { 1611}
   (( segid "A   " and resid 27   and name HG2 ))
   (( segid "A   " and resid 24   and name HN  ))
 ASSI { 1620}
   (( segid "A   " and resid 66   and name HA1 ))
   (( segid "A   " and resid 64   and name HB2 ))
      4.500     2.600     1.500 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.10318E-03 ppm1      3.978 ppm2      1.987 CV     1
 OR { 1620}
   (( segid "A   " and resid 66   and name HA1 ))
   (( segid "A   " and resid 64   and name HB3 ))
 ASSI { 1645}
   (( segid "A   " and resid 61   and name HD3 ))
   (  segid "A   " and resid 56   and name HD1%)
      4.900     3.000     1.100 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.66190E-04 ppm1      3.564 ppm2      0.996 CV     1
 OR { 1645}
   (( segid "A   " and resid 61   and name HD2 ))
   (  segid "A   " and resid 56   and name HD1%)
 ASSI { 1692}
   (( segid "A   " and resid 44   and name HD2 ))
   (( segid "A   " and resid 40   and name HG2 ))
      4.000     2.000     2.000 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.21998E-03 ppm1      3.166 ppm2      2.300 CV     1
 OR { 1692}
   (( segid "A   " and resid 44   and name HD2 ))
   (( segid "A   " and resid 40   and name HG3 ))
 ASSI { 1693}
   (( segid "A   " and resid 44   and name HD3 ))
   (( segid "A   " and resid 40   and name HG2 ))
      4.200     2.200     1.800 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.16548E-03 ppm1      3.104 ppm2      2.300 CV     1
 OR { 1693}
   (( segid "A   " and resid 44   and name HD3 ))
   (( segid "A   " and resid 40   and name HG3 ))
 ASSI { 1697}
   (( segid "A   " and resid 27   and name HD3 ))
   (  segid "A   " and resid 23   and name HG2%)
      3.500     3.500     2.500 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.28793E-02 ppm1      3.177 ppm2      0.880 CV     1
 OR { 1697}
   (( segid "A   " and resid 27   and name HD2 ))
   (  segid "A   " and resid 23   and name HG2%)
 ASSI { 1700}
   (( segid "A   " and resid 27   and name HD3 ))
   (( segid "A   " and resid 24   and name HN  ))
      5.900     4.300     0.100 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.13238E-03 ppm1      3.181 ppm2      8.634 CV     1
 OR { 1700}
   (( segid "A   " and resid 27   and name HD2 ))
   (( segid "A   " and resid 24   and name HN  ))
 ASSI { 1728}
   (( segid "A   " and resid 30   and name HB2 ))
   (  segid "A   " and resid 21   and name HD2%)
      3.800     1.800     1.800 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.12167E-02 ppm1      2.822 ppm2      0.860 CV     1
 OR { 1728}
   (( segid "A   " and resid 30   and name HB3 ))
   (  segid "A   " and resid 21   and name HD2%)
 ASSI { 1732}
   (( segid "A   " and resid 30   and name HB2 ))
   (( segid "A   " and resid 21   and name HB3 ))
      4.400     2.400     1.600 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.13043E-03 ppm1      2.831 ppm2      1.510 CV     1
 OR { 1732}
   (( segid "A   " and resid 30   and name HB3 ))
   (( segid "A   " and resid 21   and name HB3 ))
 OR { 1732}
   (( segid "A   " and resid 30   and name HB2 ))
   (( segid "A   " and resid 21   and name HB2 ))
 ASSI { 1750}
   (( segid "A   " and resid 16   and name HB3 ))
   (( segid "A   " and resid 13   and name HB2 ))
      6.000     5.900     0.000 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.48669E-04 ppm1      4.110 ppm2      3.305 CV     1
 OR { 1750}
   (( segid "A   " and resid 16   and name HB2 ))
   (( segid "A   " and resid 13   and name HB2 ))
 ASSI { 1754}
   (( segid "A   " and resid 36   and name HB  ))
   (  segid "A   " and resid 32   and name HB% )
      4.300     2.300     1.700 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.98313E-03 ppm1      1.982 ppm2      1.491 CV     1
 ASSI { 1762}
   (( segid "A   " and resid 51   and name HG2 ))
   (  segid "A   " and resid 48   and name HB% )
      4.500     2.600     1.500 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.63659E-03 ppm1      2.430 ppm2      1.409 CV     1
 OR { 1762}
   (( segid "A   " and resid 51   and name HG3 ))
   (  segid "A   " and resid 48   and name HB% )
 ASSI { 1768}
   (( segid "A   " and resid 51   and name HB3 ))
   (  segid "A   " and resid 48   and name HB% )
      3.400     1.500     1.500 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.13296E-02 ppm1      2.020 ppm2      1.397 CV     1
 OR { 1768}
   (( segid "A   " and resid 51   and name HB2 ))
   (  segid "A   " and resid 48   and name HB% )
 ASSI { 1778}
   (  segid "A   " and resid 54   and name HB% )
   (( segid "A   " and resid 50   and name HB2 ))
      3.700     1.700     1.700 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.37183E-03 ppm1      1.500 ppm2      3.195 CV     1
 OR { 1778}
   (  segid "A   " and resid 54   and name HB% )
   (( segid "A   " and resid 50   and name HB3 ))
 ASSI { 1779}
   (  segid "A   " and resid 9    and name HB% )
   (( segid "A   " and resid 6    and name HA  ))
      3.200     1.300     1.300 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.87212E-03 ppm1      1.495 ppm2      4.484 CV     1
 ASSI { 1796}
   (  segid "A   " and resid 10   and name HD2%)
   (  segid "A   " and resid 7    and name HB% )
      2.700     2.700     3.300 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.25269E-02 ppm1      0.815 ppm2      1.389 CV     1
 ASSI { 1809}
   (( segid "A   " and resid 12   and name HA  ))
   (( segid "A   " and resid 8    and name HA1 ))
      4.700     2.700     1.300 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.85655E-04 ppm1      4.090 ppm2      3.550 CV     1
 ASSI { 1831}
   (( segid "A   " and resid 17   and name HB2 ))
   (( segid "A   " and resid 13   and name HB2 ))
      6.000     5.700     0.000 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.46722E-04 ppm1      1.748 ppm2      3.352 CV     1
 OR { 1831}
   (( segid "A   " and resid 17   and name HB3 ))
   (( segid "A   " and resid 13   and name HB2 ))
 ASSI { 1842}
   (( segid "A   " and resid 33   and name HG3 ))
   (( segid "A   " and resid 18   and name HA1 ))
      3.600     1.600     1.600 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.42829E-03 ppm1      2.289 ppm2      4.308 CV     1
 OR { 1842}
   (( segid "A   " and resid 33   and name HG2 ))
   (( segid "A   " and resid 18   and name HA1 ))
 ASSI { 1869}
   (( segid "A   " and resid 28   and name HA  ))
   (  segid "A   " and resid 23   and name HG1%)
      3.100     3.100     2.900 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.10006E-02 ppm1      4.484 ppm2      0.933 CV     1
 ASSI { 1877}
   (  segid "A   " and resid 28   and name HD1%)
   (( segid "A   " and resid 22   and name HB2 ))
      4.100     2.100     1.900 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.18105E-03 ppm1      0.813 ppm2      3.504 CV     1
 OR { 1877}
   (  segid "A   " and resid 28   and name HD1%)
   (( segid "A   " and resid 22   and name HB3 ))
 ASSI { 1879}
   (  segid "A   " and resid 28   and name HD1%)
   (( segid "A   " and resid 23   and name HA  ))
      5.800     4.200     0.200 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.12264E-03 ppm1      0.812 ppm2      4.725 CV     1
 ASSI { 1881}
   (  segid "A   " and resid 28   and name HD1%)
   (( segid "A   " and resid 22   and name HA  ))
      6.000     4.600     0.000 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.64243E-04 ppm1      0.812 ppm2      4.920 CV     1
 ASSI { 1882}
   (  segid "A   " and resid 28   and name HD1%)
   (( segid "A   " and resid 24   and name HN  ))
      4.900     3.000     1.100 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.62296E-03 ppm1      0.821 ppm2      8.648 CV     1
 ASSI { 1883}
   (( segid "A   " and resid 29   and name HG2 ))
   (( segid "A   " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.13043E-03 ppm1      0.957 ppm2      4.714 CV     1
 OR { 1883}
   (( segid "A   " and resid 29   and name HG3 ))
   (( segid "A   " and resid 23   and name HA  ))
 ASSI { 1887}
   (  segid "A   " and resid 30   and name HE% )
   (( segid "A   " and resid 20   and name HB2 ))
      6.000     5.400     0.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.64243E-04 ppm1      7.220 ppm2      1.997 CV     1
 OR { 1887}
   (  segid "A   " and resid 30   and name HE% )
   (( segid "A   " and resid 20   and name HB3 ))
 ASSI { 1896}
   (( segid "A   " and resid 31   and name HG3 ))
   (  segid "A   " and resid 19   and name HG2%)
      5.500     3.700     0.500 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.19857E-03 ppm1      2.558 ppm2      0.903 CV     1
 OR { 1896}
   (( segid "A   " and resid 31   and name HG2 ))
   (  segid "A   " and resid 19   and name HG2%)
 ASSI { 1898}
   (( segid "A   " and resid 32   and name HA  ))
   (  segid "A   " and resid 30   and name HD% )
      5.900     4.400     0.100 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.73977E-04 ppm1      5.222 ppm2      6.757 CV     1
 ASSI { 1899}
   (( segid "A   " and resid 32   and name HA  ))
   (( segid "A   " and resid 19   and name HN  ))
      6.000     5.000     0.000 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.72030E-04 ppm1      5.218 ppm2      7.844 CV     1
 ASSI { 1930}
   (( segid "A   " and resid 36   and name HA  ))
   (( segid "A   " and resid 33   and name HD2 ))
      6.000     6.000     0.000 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.95392E-04 ppm1      3.933 ppm2      3.256 CV     1
 ASSI { 1934}
   (( segid "A   " and resid 36   and name HB  ))
   (( segid "A   " and resid 32   and name HA  ))
      6.000     5.100     0.000 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.22582E-03 ppm1      1.982 ppm2      5.186 CV     1
 ASSI { 1955}
   (( segid "A   " and resid 37   and name HB2 ))
   (  segid "A   " and resid 30   and name HD% )
      4.900     3.000     1.100 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.68136E-04 ppm1      2.175 ppm2      6.759 CV     1
 OR { 1955}
   (( segid "A   " and resid 37   and name HB3 ))
   (  segid "A   " and resid 30   and name HD% )
 ASSI { 1956}
   (( segid "A   " and resid 38   and name HA  ))
   (  segid "A   " and resid 36   and name HG2%)
      5.400     3.600     0.600 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.52563E-04 ppm1      4.784 ppm2      0.887 CV     1
 OR { 1956}
   (( segid "A   " and resid 38   and name HA  ))
   (  segid "B   " and resid 36   and name HG2%)
 ASSI { 1957}
   (  segid "A   " and resid 38   and name HG2%)
   (  segid "A   " and resid 36   and name HG2%)
      3.600     1.600     1.600 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.42829E-03 ppm1      1.370 ppm2      0.882 CV     1
 ASSI { 1958}
   (  segid "A   " and resid 38   and name HG2%)
   (( segid "A   " and resid 35   and name HA2 ))
      5.000     3.100     1.000 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.58403E-04 ppm1      1.382 ppm2      4.230 CV     1
 ASSI { 1978}
   (( segid "A   " and resid 41   and name HA  ))
   (( segid "A   " and resid 13   and name HE1 ))
      6.000     5.800     0.000 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.46722E-04 ppm1      4.107 ppm2      6.593 CV     1
 ASSI { 1984}
   (( segid "A   " and resid 41   and name HG  ))
   (( segid "A   " and resid 13   and name HE1 ))
      5.900     4.300     0.100 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.44776E-04 ppm1      1.482 ppm2      6.591 CV     1
 ASSI { 1986}
   (( segid "A   " and resid 41   and name HG  ))
   (  segid "A   " and resid 37   and name HE% )
      5.900     4.300     0.100 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.22193E-03 ppm1      1.475 ppm2      1.246 CV     1
 ASSI { 1987}
   (  segid "A   " and resid 41   and name HD1%)
   (( segid "A   " and resid 13   and name HA  ))
      6.000     5.300     0.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.11680E-04 ppm1      0.958 ppm2      4.494 CV     1
 ASSI { 1989}
   (  segid "A   " and resid 41   and name HD1%)
   (( segid "A   " and resid 38   and name HN  ))
      4.300     2.300     1.700 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.55288E-03 ppm1      0.970 ppm2      7.345 CV     1
 ASSI { 1991}
   (  segid "A   " and resid 41   and name HD1%)
   (( segid "A   " and resid 14   and name HN  ))
      4.200     2.200     1.800 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.15379E-03 ppm1      0.960 ppm2      8.848 CV     1
 ASSI { 1994}
   (  segid "A   " and resid 41   and name HD2%)
   (( segid "A   " and resid 37   and name HG3 ))
      5.400     3.700     0.600 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.13822E-03 ppm1      0.927 ppm2      2.268 CV     1
 ASSI { 1997}
   (  segid "A   " and resid 59   and name HD1%)
   (( segid "A   " and resid 20   and name HA  ))
      4.200     2.200     1.800 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.15379E-03 ppm1      0.933 ppm2      5.049 CV     1
 ASSI { 2001}
   (  segid "A   " and resid 41   and name HD2%)
   (( segid "A   " and resid 37   and name HN  ))
      3.500     1.500     1.500 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.52952E-03 ppm1      0.928 ppm2      8.651 CV     1
 ASSI { 2016}
   (( segid "A   " and resid 44   and name HA  ))
   (  segid "A   " and resid 10   and name HD1%)
      4.100     2.100     1.900 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.71251E-03 ppm1      4.113 ppm2      0.834 CV     1
 OR { 2016}
   (( segid "A   " and resid 44   and name HA  ))
   (  segid "A   " and resid 10   and name HD2%)
 ASSI { 2027}
   (( segid "A   " and resid 45   and name HB3 ))
   (  segid "A   " and resid 19   and name HG1%)
      4.100     2.100     1.900 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.15477E-02 ppm1      0.989 ppm2      0.867 CV     1
 OR { 2027}
   (( segid "A   " and resid 45   and name HB2 ))
   (  segid "A   " and resid 19   and name HG1%)
 ASSI { 2031}
   (( segid "A   " and resid 45   and name HG  ))
   (  segid "A   " and resid 41   and name HD1%)
      2.800     2.800     3.200 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.17521E-02 ppm1      1.769 ppm2      0.969 CV     1
 ASSI { 2032}
   (( segid "A   " and resid 45   and name HG  ))
   (( segid "A   " and resid 42   and name HA  ))
      4.800     2.900     1.200 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.19663E-03 ppm1      1.769 ppm2      3.643 CV     1
 ASSI { 2074}
   (( segid "A   " and resid 52   and name HB2 ))
   (  segid "A   " and resid 48   and name HB% )
      5.200     3.400     0.800 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.21804E-03 ppm1      1.205 ppm2      1.430 CV     1
 OR { 2074}
   (( segid "A   " and resid 52   and name HB3 ))
   (  segid "A   " and resid 48   and name HB% )
 ASSI { 2077}
   (( segid "A   " and resid 52   and name HG  ))
   (( segid "A   " and resid 48   and name HA  ))
      5.700     4.100     0.300 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.62296E-04 ppm1      1.802 ppm2      4.943 CV     1
 ASSI { 2094}
   (  segid "A   " and resid 54   and name HB% )
   (( segid "A   " and resid 51   and name HG3 ))
      4.400     2.400     1.600 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.34652E-03 ppm1      1.513 ppm2      2.385 CV     1
 ASSI { 2099}
   (( segid "A   " and resid 56   and name HB2 ))
   (  segid "A   " and resid 23   and name HG1%)
      2.800     2.800     3.200 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.17132E-02 ppm1      1.538 ppm2      0.967 CV     1
 OR { 2099}
   (( segid "A   " and resid 56   and name HB3 ))
   (  segid "A   " and resid 23   and name HG1%)
 ASSI { 2102}
   (( segid "A   " and resid 56   and name HG  ))
   (( segid "A   " and resid 53   and name HA  ))
      5.100     3.200     0.900 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.15574E-03 ppm1      1.860 ppm2      3.503 CV     1
 ASSI { 2108}
   (( segid "A   " and resid 57   and name HB2 ))
   (  segid "A   " and resid 55   and name HD1%)
      2.700     2.700     3.300 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.21687E-02 ppm1      1.957 ppm2      0.843 CV     1
 OR { 2108}
   (( segid "A   " and resid 57   and name HB3 ))
   (  segid "A   " and resid 55   and name HD1%)
 ASSI { 2118}
   (( segid "A   " and resid 60   and name HG3 ))
   (( segid "A   " and resid 56   and name HB2 ))
      4.400     2.400     1.600 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.12070E-03 ppm1      2.477 ppm2      1.549 CV     1
 OR { 2118}
   (( segid "A   " and resid 60   and name HG3 ))
   (( segid "A   " and resid 56   and name HB3 ))
 OR { 2118}
   (( segid "A   " and resid 60   and name HG2 ))
   (( segid "A   " and resid 56   and name HB2 ))
 ASSI { 2136}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 71   and name HB2 ))
      4.800     2.900     1.200 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.72030E-04 ppm1      4.388 ppm2      2.031 CV     1
 OR { 2136}
   (( segid "A   " and resid 73   and name HA  ))
   (( segid "A   " and resid 71   and name HB3 ))
 ASSI {    3}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 22   and name HN  ))
      4.300     2.300     1.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.54714E-03 ppm1     10.664 ppm2      8.599 CV     1
 ASSI {    4}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 22   and name HD1 ))
      2.500     0.800     0.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.96128E-02 ppm1     10.664 ppm2      6.984 CV     1
 ASSI {    5}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 22   and name HZ2 ))
      2.800     1.000     1.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.53115E-02 ppm1     10.664 ppm2      7.277 CV     1
 ASSI {   19}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 18   and name HA2 ))
      2.800     1.000     1.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.80556E-02 ppm1      7.882 ppm2      3.721 CV     1
 ASSI {   20}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 18   and name HA1 ))
      2.300     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.92636E-02 ppm1      7.883 ppm2      4.328 CV     1
 ASSI {   26}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 17   and name HA  ))
      2.600     0.800     0.800 peak    26 spectrum    1 weight  0.10000E+01 volume  0.61070E-02 ppm1      7.331 ppm2      4.351 CV     1
 ASSI {   28}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 17   and name HB2 ))
      2.400     0.700     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.83796E-02 ppm1      7.331 ppm2      1.766 CV     1
 OR {   28}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 17   and name HB3 ))
 ASSI {   29}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 17   and name HG  ))
      2.200     0.600     0.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.10564E-01 ppm1      7.331 ppm2      1.569 CV     1
 ASSI {   30}
   (( segid "A   " and resid 17   and name HN  ))
   (  segid "A   " and resid 17   and name HD2%)
      3.400     1.400     1.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.44192E-02 ppm1      7.330 ppm2      0.847 CV     1
 ASSI {   31}
   (( segid "A   " and resid 17   and name HN  ))
   (  segid "A   " and resid 17   and name HD1%)
      3.900     1.900     1.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.22349E-02 ppm1      7.331 ppm2      0.642 CV     1
 ASSI {   37}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HA  ))
      2.600     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.65741E-02 ppm1      8.171 ppm2      4.303 CV     1
 ASSI {   38}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.99117E-02 ppm1      8.171 ppm2      4.132 CV     1
 OR {   38}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 16   and name HB3 ))
 ASSI {   50}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 14   and name HA  ))
      2.900     1.000     1.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.35985E-02 ppm1      8.830 ppm2      3.760 CV     1
 ASSI {   54}
   (( segid "A   " and resid 14   and name HN  ))
   (  segid "A   " and resid 14   and name HB% )
      2.400     0.700     0.700 peak    54 spectrum    1 weight  0.10000E+01 volume  0.91457E-02 ppm1      8.830 ppm2      1.419 CV     1
 ASSI {   58}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 13   and name HE1 ))
      5.100     3.200     0.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.36617E-03 ppm1      8.368 ppm2      6.598 CV     1
 ASSI {   59}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.43013E-02 ppm1      8.367 ppm2      4.439 CV     1
 ASSI {   60}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 13   and name HB3 ))
      2.200     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.14650E-01 ppm1      8.368 ppm2      3.311 CV     1
 OR {   60}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 13   and name HB2 ))
 ASSI {   64}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 31   and name HA  ))
      2.900     1.000     1.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.25968E-02 ppm1      8.982 ppm2      4.737 CV     1
 ASSI {   67}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 31   and name HG2 ))
      3.800     1.800     1.800 peak    67 spectrum    1 weight  0.10000E+01 volume  0.17971E-02 ppm1      8.982 ppm2      2.530 CV     1
 OR {   67}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 31   and name HG3 ))
 ASSI {   68}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 31   and name HB3 ))
      2.700     0.900     0.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.36995E-02 ppm1      8.982 ppm2      2.287 CV     1
 OR {   68}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 31   and name HB2 ))
 ASSI {   76}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 26   and name HA  ))
      2.900     1.000     1.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.35648E-02 ppm1      8.812 ppm2      4.247 CV     1
 ASSI {   79}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 26   and name HB3 ))
      2.800     1.000     1.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.38889E-02 ppm1      8.811 ppm2      2.312 CV     1
 OR {   79}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 26   and name HB2 ))
 ASSI {   82}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 3    and name HA  ))
      3.900     1.900     1.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.59765E-03 ppm1      8.540 ppm2      4.347 CV     1
 ASSI {   84}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 32   and name HA  ))
      3.400     1.400     1.400 peak    84 spectrum    1 weight  0.10000E+01 volume  0.10059E-02 ppm1      9.134 ppm2      5.232 CV     1
 ASSI {   88}
   (( segid "A   " and resid 32   and name HN  ))
   (  segid "A   " and resid 32   and name HB% )
      3.100     1.200     1.200 peak    88 spectrum    1 weight  0.10000E+01 volume  0.23612E-02 ppm1      9.134 ppm2      1.502 CV     1
 ASSI {   94}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HD2 ))
      4.200     2.200     1.800 peak    94 spectrum    1 weight  0.10000E+01 volume  0.69866E-03 ppm1      8.875 ppm2      3.258 CV     1
 OR {   94}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HD3 ))
 ASSI {   97}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HA  ))
      3.000     1.100     1.100 peak    97 spectrum    1 weight  0.10000E+01 volume  0.23064E-02 ppm1      8.875 ppm2      5.081 CV     1
 ASSI {  102}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 24   and name HG2 ))
      4.000     2.000     2.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.16288E-02 ppm1      8.646 ppm2      2.326 CV     1
 OR {  102}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 24   and name HG3 ))
 ASSI {  107}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 4    and name HA1 ))
      3.600     1.600     1.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.11700E-02 ppm1      8.411 ppm2      4.023 CV     1
 OR {  107}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 4    and name HA2 ))
 ASSI {  109}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 78   and name HA  ))
      3.400     1.500     1.500 peak   109 spectrum    1 weight  0.10000E+01 volume  0.14520E-02 ppm1      8.056 ppm2      4.288 CV     1
 ASSI {  112}
   (( segid "A   " and resid 78   and name HN  ))
   (  segid "A   " and resid 78   and name HD1%)
      4.500     2.600     1.500 peak   112 spectrum    1 weight  0.10000E+01 volume  0.50084E-03 ppm1      8.064 ppm2      0.870 CV     1
 OR {  112}
   (( segid "A   " and resid 78   and name HN  ))
   (  segid "A   " and resid 78   and name HD2%)
 ASSI {  114}
   (( segid "A   " and resid 70   and name HN  ))
   (  segid "A   " and resid 70   and name HB% )
      3.000     1.100     1.100 peak   114 spectrum    1 weight  0.10000E+01 volume  0.35353E-02 ppm1      8.159 ppm2      1.377 CV     1
 ASSI {  118}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.42972E-02 ppm1      7.801 ppm2      4.228 CV     1
 ASSI {  122}
   (( segid "A   " and resid 9    and name HN  ))
   (  segid "A   " and resid 9    and name HB% )
      2.400     0.700     0.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.10985E-01 ppm1      7.801 ppm2      1.506 CV     1
 ASSI {  129}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 8    and name HA2 ))
      2.500     0.800     0.800 peak   129 spectrum    1 weight  0.10000E+01 volume  0.65615E-02 ppm1      8.464 ppm2      3.804 CV     1
 ASSI {  130}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 8    and name HA1 ))
      3.000     1.100     1.100 peak   130 spectrum    1 weight  0.10000E+01 volume  0.49706E-02 ppm1      8.464 ppm2      3.566 CV     1
 ASSI {  133}
   (( segid "A   " and resid 28   and name HN  ))
   (  segid "A   " and resid 28   and name HD1%)
      3.200     1.300     1.300 peak   133 spectrum    1 weight  0.10000E+01 volume  0.57576E-02 ppm1      8.428 ppm2      0.823 CV     1
 OR {  133}
   (( segid "A   " and resid 28   and name HN  ))
   (  segid "A   " and resid 28   and name HD2%)
 ASSI {  134}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HB3 ))
      2.300     0.600     0.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.10770E-01 ppm1      8.428 ppm2      1.725 CV     1
 OR {  134}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HB2 ))
 ASSI {  142}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.43140E-02 ppm1      7.664 ppm2      4.333 CV     1
 ASSI {  145}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 58   and name HB3 ))
      2.500     0.800     0.800 peak   145 spectrum    1 weight  0.10000E+01 volume  0.80767E-02 ppm1      7.665 ppm2      2.535 CV     1
 OR {  145}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 58   and name HB2 ))
 ASSI {  156}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 57   and name HD2 ))
      4.600     2.600     1.400 peak   156 spectrum    1 weight  0.10000E+01 volume  0.99748E-03 ppm1      8.338 ppm2      3.191 CV     1
 OR {  156}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 57   and name HD3 ))
 ASSI {  157}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 57   and name HA  ))
      2.500     0.800     0.800 peak   157 spectrum    1 weight  0.10000E+01 volume  0.67425E-02 ppm1      8.338 ppm2      4.101 CV     1
 ASSI {  159}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 57   and name HG3 ))
      3.200     1.300     1.300 peak   159 spectrum    1 weight  0.10000E+01 volume  0.67088E-02 ppm1      8.339 ppm2      1.752 CV     1
 OR {  159}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 57   and name HG2 ))
 ASSI {  162}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 57   and name HB2 ))
      2.100     0.500     0.500 peak   162 spectrum    1 weight  0.10000E+01 volume  0.15716E-01 ppm1      8.338 ppm2      1.967 CV     1
 OR {  162}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 57   and name HB3 ))
 ASSI {  166}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak   166 spectrum    1 weight  0.10000E+01 volume  0.48233E-02 ppm1      8.338 ppm2      3.910 CV     1
 ASSI {  170}
   (( segid "A   " and resid 11   and name HN  ))
   (  segid "A   " and resid 11   and name HD1%)
      3.300     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.75674E-02 ppm1      8.339 ppm2      0.878 CV     1
 ASSI {  173}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 10   and name HA  ))
      2.600     0.900     0.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.60986E-02 ppm1      7.951 ppm2      4.177 CV     1
 ASSI {  177}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 10   and name HB3 ))
      2.200     0.600     0.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.12753E-01 ppm1      7.948 ppm2      1.756 CV     1
 OR {  177}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  179}
   (( segid "A   " and resid 10   and name HN  ))
   (  segid "A   " and resid 10   and name HD2%)
      3.800     1.800     1.800 peak   179 spectrum    1 weight  0.10000E+01 volume  0.38258E-02 ppm1      7.949 ppm2      0.855 CV     1
 OR {  179}
   (( segid "A   " and resid 10   and name HN  ))
   (  segid "A   " and resid 10   and name HD1%)
 ASSI {  184}
   (( segid "A   " and resid 12   and name HN  ))
   (  segid "A   " and resid 12   and name HB% )
      2.300     0.700     0.700 peak   184 spectrum    1 weight  0.10000E+01 volume  0.12273E-01 ppm1      7.926 ppm2      1.550 CV     1
 ASSI {  185}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak   185 spectrum    1 weight  0.10000E+01 volume  0.51600E-02 ppm1      7.926 ppm2      4.111 CV     1
 ASSI {  191}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 72   and name HA  ))
      3.300     1.300     1.300 peak   191 spectrum    1 weight  0.10000E+01 volume  0.15194E-02 ppm1      8.094 ppm2      4.118 CV     1
 ASSI {  193}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 72   and name HB  ))
      3.000     1.100     1.100 peak   193 spectrum    1 weight  0.10000E+01 volume  0.27357E-02 ppm1      8.095 ppm2      2.081 CV     1
 ASSI {  196}
   (( segid "A   " and resid 72   and name HN  ))
   (  segid "A   " and resid 72   and name HG2%)
      3.300     1.400     1.400 peak   196 spectrum    1 weight  0.10000E+01 volume  0.28451E-02 ppm1      8.094 ppm2      0.979 CV     1
 OR {  196}
   (( segid "A   " and resid 72   and name HN  ))
   (  segid "A   " and resid 72   and name HG1%)
 ASSI {  205}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 19   and name HB  ))
      2.500     0.800     0.800 peak   205 spectrum    1 weight  0.10000E+01 volume  0.67803E-02 ppm1      7.846 ppm2      1.910 CV     1
 ASSI {  207}
   (( segid "A   " and resid 19   and name HN  ))
   (  segid "A   " and resid 19   and name HG2%)
      2.300     0.700     0.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.10189E-01 ppm1      7.847 ppm2      0.877 CV     1
 ASSI {  213}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      2.300     0.700     0.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.13368E-01 ppm1      8.037 ppm2      4.095 CV     1
 ASSI {  215}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 44   and name HD2 ))
      4.200     2.300     1.800 peak   215 spectrum    1 weight  0.10000E+01 volume  0.96802E-03 ppm1      8.036 ppm2      3.142 CV     1
 OR {  215}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 44   and name HD3 ))
 ASSI {  217}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 44   and name HG2 ))
      2.200     0.600     0.600 peak   217 spectrum    1 weight  0.10000E+01 volume  0.14597E-01 ppm1      8.037 ppm2      1.953 CV     1
 OR {  217}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 44   and name HG3 ))
 ASSI {  219}
   (( segid "A   " and resid 21   and name HN  ))
   (  segid "A   " and resid 21   and name HD1%)
      2.600     0.900     0.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.74790E-02 ppm1      8.068 ppm2      0.878 CV     1
 ASSI {  225}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.35227E-02 ppm1      8.430 ppm2      3.867 CV     1
 ASSI {  228}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 45   and name HB2 ))
      2.300     0.600     0.600 peak   228 spectrum    1 weight  0.10000E+01 volume  0.12332E-01 ppm1      8.430 ppm2      1.755 CV     1
 OR {  228}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 45   and name HB3 ))
 ASSI {  230}
   (( segid "A   " and resid 45   and name HN  ))
   (  segid "A   " and resid 45   and name HD2%)
      3.700     1.800     1.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.22686E-02 ppm1      8.431 ppm2      0.635 CV     1
 ASSI {  231}
   (( segid "A   " and resid 45   and name HN  ))
   (  segid "A   " and resid 45   and name HD1%)
      3.800     1.800     1.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.19234E-02 ppm1      8.431 ppm2      0.415 CV     1
 ASSI {  235}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 46   and name HA2 ))
      2.700     0.900     0.900 peak   235 spectrum    1 weight  0.10000E+01 volume  0.10072E-01 ppm1      8.195 ppm2      4.000 CV     1
 ASSI {  236}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 46   and name HA1 ))
      2.400     0.700     0.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.92046E-02 ppm1      8.195 ppm2      3.786 CV     1
 ASSI {  241}
   (( segid "A   " and resid 69   and name HN  ))
   (  segid "A   " and resid 69   and name HD2%)
      3.300     1.400     1.400 peak   241 spectrum    1 weight  0.10000E+01 volume  0.34007E-02 ppm1      8.175 ppm2      0.878 CV     1
 OR {  241}
   (( segid "A   " and resid 69   and name HN  ))
   (  segid "A   " and resid 69   and name HD1%)
 ASSI {  246}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   246 spectrum    1 weight  0.10000E+01 volume  0.56187E-02 ppm1      8.263 ppm2      4.293 CV     1
 ASSI {  247}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 43   and name HB2 ))
      2.300     0.700     0.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.12033E-01 ppm1      8.263 ppm2      4.044 CV     1
 OR {  247}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 43   and name HB3 ))
 ASSI {  254}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.42172E-02 ppm1      8.665 ppm2      4.487 CV     1
 ASSI {  258}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.37963E-02 ppm1      8.632 ppm2      3.649 CV     1
 ASSI {  259}
   (( segid "A   " and resid 15   and name HN  ))
   (  segid "A   " and resid 15   and name HB% )
      2.300     0.700     0.700 peak   259 spectrum    1 weight  0.10000E+01 volume  0.14104E-01 ppm1      8.664 ppm2      1.553 CV     1
 ASSI {  260}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 42   and name HG2 ))
      3.300     1.400     1.400 peak   260 spectrum    1 weight  0.10000E+01 volume  0.82240E-02 ppm1      8.633 ppm2      2.235 CV     1
 OR {  260}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 42   and name HG3 ))
 ASSI {  261}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 42   and name HB2 ))
      2.200     0.600     0.600 peak   261 spectrum    1 weight  0.10000E+01 volume  0.14849E-01 ppm1      8.633 ppm2      2.078 CV     1
 OR {  261}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 42   and name HB3 ))
 ASSI {  262}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 53   and name HB  ))
      2.100     0.600     0.600 peak   262 spectrum    1 weight  0.10000E+01 volume  0.15042E-01 ppm1      8.547 ppm2      1.892 CV     1
 ASSI {  265}
   (( segid "A   " and resid 53   and name HN  ))
   (  segid "A   " and resid 53   and name HD1%)
      2.900     1.100     1.100 peak   265 spectrum    1 weight  0.10000E+01 volume  0.11768E-01 ppm1      8.547 ppm2      0.807 CV     1
 ASSI {  270}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 53   and name HA  ))
      2.900     1.100     1.100 peak   270 spectrum    1 weight  0.10000E+01 volume  0.28536E-02 ppm1      8.546 ppm2      3.513 CV     1
 ASSI {  278}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 54   and name HA  ))
      2.500     0.800     0.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.81525E-02 ppm1      7.363 ppm2      4.076 CV     1
 ASSI {  282}
   (( segid "A   " and resid 54   and name HN  ))
   (  segid "A   " and resid 54   and name HB% )
      2.300     0.700     0.700 peak   282 spectrum    1 weight  0.10000E+01 volume  0.12643E-01 ppm1      7.363 ppm2      1.512 CV     1
 ASSI {  288}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.62585E-02 ppm1      7.212 ppm2      3.895 CV     1
 ASSI {  289}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 49   and name HD3 ))
      4.300     2.300     1.700 peak   289 spectrum    1 weight  0.10000E+01 volume  0.13931E-02 ppm1      7.212 ppm2      3.317 CV     1
 OR {  289}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 49   and name HD2 ))
 ASSI {  290}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 49   and name HB3 ))
      2.400     0.700     0.700 peak   290 spectrum    1 weight  0.10000E+01 volume  0.10404E-01 ppm1      7.212 ppm2      1.969 CV     1
 OR {  290}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 49   and name HB2 ))
 ASSI {  291}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 49   and name HG2 ))
      2.600     0.800     0.800 peak   291 spectrum    1 weight  0.10000E+01 volume  0.36111E-02 ppm1      7.212 ppm2      1.614 CV     1
 OR {  291}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 49   and name HG3 ))
 ASSI {  296}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   296 spectrum    1 weight  0.10000E+01 volume  0.20118E-02 ppm1      8.544 ppm2      4.331 CV     1
 ASSI {  297}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 50   and name HB3 ))
      2.700     0.900     0.900 peak   297 spectrum    1 weight  0.10000E+01 volume  0.50253E-02 ppm1      8.545 ppm2      3.202 CV     1
 OR {  297}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 50   and name HB2 ))
 ASSI {  308}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.41498E-02 ppm1      8.247 ppm2      4.162 CV     1
 ASSI {  309}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HG2 ))
      3.400     1.400     1.400 peak   309 spectrum    1 weight  0.10000E+01 volume  0.53115E-02 ppm1      8.248 ppm2      2.358 CV     1
 OR {  309}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HG3 ))
 ASSI {  310}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HB3 ))
      2.500     0.800     0.800 peak   310 spectrum    1 weight  0.10000E+01 volume  0.61280E-02 ppm1      8.247 ppm2      2.190 CV     1
 OR {  310}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 51   and name HB2 ))
 ASSI {  317}
   (( segid "A   " and resid 58   and name HE21))
   (( segid "A   " and resid 58   and name HA  ))
      4.400     2.500     1.600 peak   317 spectrum    1 weight  0.10000E+01 volume  0.87964E-03 ppm1      7.183 ppm2      4.327 CV     1
 ASSI {  320}
   (( segid "A   " and resid 58   and name HE21))
   (( segid "A   " and resid 58   and name HE22))
      1.900     0.400     0.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.18351E-01 ppm1      7.183 ppm2      6.762 CV     1
 ASSI {  323}
   (( segid "A   " and resid 58   and name HE21))
   (( segid "A   " and resid 58   and name HG2 ))
      3.200     1.300     1.300 peak   323 spectrum    1 weight  0.10000E+01 volume  0.15194E-02 ppm1      7.185 ppm2      2.661 CV     1
 OR {  323}
   (( segid "A   " and resid 58   and name HE21))
   (( segid "A   " and resid 58   and name HG3 ))
 ASSI {  324}
   (( segid "A   " and resid 58   and name HE22))
   (( segid "A   " and resid 58   and name HG2 ))
      4.300     2.300     1.700 peak   324 spectrum    1 weight  0.10000E+01 volume  0.11784E-02 ppm1      6.758 ppm2      2.667 CV     1
 OR {  324}
   (( segid "A   " and resid 58   and name HE22))
   (( segid "A   " and resid 58   and name HG3 ))
 ASSI {  325}
   (( segid "A   " and resid 58   and name HE21))
   (( segid "A   " and resid 58   and name HB3 ))
      3.600     1.700     1.700 peak   325 spectrum    1 weight  0.10000E+01 volume  0.19066E-02 ppm1      7.183 ppm2      2.550 CV     1
 OR {  325}
   (( segid "A   " and resid 58   and name HE21))
   (( segid "A   " and resid 58   and name HB2 ))
 ASSI {  326}
   (( segid "A   " and resid 58   and name HE22))
   (( segid "A   " and resid 58   and name HB3 ))
      3.900     1.900     1.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.16582E-02 ppm1      6.761 ppm2      2.547 CV     1
 OR {  326}
   (( segid "A   " and resid 58   and name HE22))
   (( segid "A   " and resid 58   and name HB2 ))
 ASSI {  333}
   (( segid "A   " and resid 42   and name HE22))
   (( segid "A   " and resid 42   and name HG3 ))
      3.500     1.600     1.600 peak   333 spectrum    1 weight  0.10000E+01 volume  0.36743E-02 ppm1      7.274 ppm2      2.257 CV     1
 OR {  333}
   (( segid "A   " and resid 42   and name HE22))
   (( segid "A   " and resid 42   and name HG2 ))
 ASSI {  334}
   (( segid "A   " and resid 42   and name HE21))
   (( segid "A   " and resid 42   and name HG3 ))
      3.000     1.100     1.100 peak   334 spectrum    1 weight  0.10000E+01 volume  0.24495E-02 ppm1      6.815 ppm2      2.256 CV     1
 OR {  334}
   (( segid "A   " and resid 42   and name HE21))
   (( segid "A   " and resid 42   and name HG2 ))
 ASSI {  335}
   (( segid "A   " and resid 42   and name HE22))
   (( segid "A   " and resid 42   and name HB2 ))
      4.000     2.000     2.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.15909E-02 ppm1      7.277 ppm2      2.091 CV     1
 OR {  335}
   (( segid "A   " and resid 42   and name HE22))
   (( segid "A   " and resid 42   and name HB3 ))
 ASSI {  336}
   (( segid "A   " and resid 42   and name HE21))
   (( segid "A   " and resid 42   and name HB2 ))
      3.700     1.700     1.700 peak   336 spectrum    1 weight  0.10000E+01 volume  0.12921E-02 ppm1      6.818 ppm2      2.088 CV     1
 OR {  336}
   (( segid "A   " and resid 42   and name HE21))
   (( segid "A   " and resid 42   and name HB3 ))
 ASSI {  339}
   (( segid "A   " and resid 42   and name HE22))
   (( segid "A   " and resid 42   and name HE21))
      1.700     0.400     0.500 peak   339 spectrum    1 weight  0.10000E+01 volume  0.30677E-01 ppm1      7.274 ppm2      6.816 CV     1
 ASSI {  343}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.37206E-02 ppm1      7.987 ppm2      4.586 CV     1
 ASSI {  347}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 27   and name HD3 ))
      4.300     2.300     1.700 peak   347 spectrum    1 weight  0.10000E+01 volume  0.11574E-02 ppm1      7.988 ppm2      3.208 CV     1
 OR {  347}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 27   and name HD2 ))
 ASSI {  352}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 47   and name HA1 ))
      2.100     0.600     0.600 peak   352 spectrum    1 weight  0.10000E+01 volume  0.16069E-01 ppm1      8.226 ppm2      3.950 CV     1
 ASSI {  363}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.49284E-02 ppm1      7.852 ppm2      4.100 CV     1
 ASSI {  366}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 41   and name HB3 ))
      2.300     0.700     0.700 peak   366 spectrum    1 weight  0.10000E+01 volume  0.87585E-02 ppm1      7.851 ppm2      1.972 CV     1
 OR {  366}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 41   and name HB2 ))
 ASSI {  368}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 41   and name HD2%)
      3.900     1.900     1.900 peak   368 spectrum    1 weight  0.10000E+01 volume  0.27399E-02 ppm1      7.852 ppm2      0.951 CV     1
 OR {  368}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 41   and name HD1%)
 ASSI {  372}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak   372 spectrum    1 weight  0.10000E+01 volume  0.50674E-02 ppm1      8.476 ppm2      4.060 CV     1
 ASSI {  374}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HG2 ))
      3.700     1.700     1.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.35227E-02 ppm1      8.477 ppm2      2.291 CV     1
 OR {  374}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HG3 ))
 ASSI {  376}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HB3 ))
      2.600     0.800     0.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.65488E-02 ppm1      8.476 ppm2      1.949 CV     1
 OR {  376}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 40   and name HB2 ))
 ASSI {  386}
   (( segid "A   " and resid 38   and name HN  ))
   (  segid "A   " and resid 38   and name HG2%)
      2.600     0.800     0.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.65488E-02 ppm1      7.335 ppm2      1.384 CV     1
 ASSI {  396}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 36   and name HA  ))
      2.600     0.900     0.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.49412E-02 ppm1      7.441 ppm2      3.949 CV     1
 ASSI {  399}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 36   and name HB  ))
      2.800     1.000     1.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.98948E-02 ppm1      7.441 ppm2      1.992 CV     1
 ASSI {  403}
   (( segid "A   " and resid 36   and name HN  ))
   (  segid "A   " and resid 36   and name HG1%)
      2.400     0.700     0.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.10673E-01 ppm1      7.441 ppm2      0.994 CV     1
 ASSI {  407}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 55   and name HA  ))
      2.400     0.700     0.700 peak   407 spectrum    1 weight  0.10000E+01 volume  0.85606E-02 ppm1      7.723 ppm2      4.136 CV     1
 ASSI {  409}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 55   and name HB2 ))
      2.300     0.600     0.600 peak   409 spectrum    1 weight  0.10000E+01 volume  0.10973E-01 ppm1      7.722 ppm2      1.729 CV     1
 OR {  409}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 55   and name HB3 ))
 ASSI {  412}
   (( segid "A   " and resid 55   and name HN  ))
   (  segid "A   " and resid 55   and name HD2%)
      3.400     1.500     1.500 peak   412 spectrum    1 weight  0.10000E+01 volume  0.42593E-02 ppm1      7.722 ppm2      0.884 CV     1
 ASSI {  415}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HA  ))
      2.700     0.900     0.900 peak   415 spectrum    1 weight  0.10000E+01 volume  0.59512E-02 ppm1      8.684 ppm2      4.046 CV     1
 ASSI {  418}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 37   and name HB2 ))
      2.200     0.600     0.600 peak   418 spectrum    1 weight  0.10000E+01 volume  0.11684E-01 ppm1      8.661 ppm2      1.659 CV     1
 OR {  418}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 37   and name HB3 ))
 ASSI {  419}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HB3 ))
      1.800     0.400     0.400 peak   419 spectrum    1 weight  0.10000E+01 volume  0.43090E-01 ppm1      8.673 ppm2      1.546 CV     1
 OR {  419}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
 ASSI {  420}
   (( segid "A   " and resid 37   and name HN  ))
   (  segid "A   " and resid 37   and name HE% )
      3.600     1.700     1.700 peak   420 spectrum    1 weight  0.10000E+01 volume  0.18729E-02 ppm1      8.659 ppm2      1.278 CV     1
 ASSI {  422}
   (( segid "A   " and resid 56   and name HN  ))
   (  segid "A   " and resid 56   and name HD2%)
      3.600     1.700     1.700 peak   422 spectrum    1 weight  0.10000E+01 volume  0.29503E-02 ppm1      8.685 ppm2      0.736 CV     1
 ASSI {  423}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 22   and name HZ3 ))
      3.200     3.200     2.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.47643E-02 ppm1     10.666 ppm2      6.769 CV     1
 ASSI {  424}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 22   and name HB2 ))
      4.700     2.800     1.300 peak   424 spectrum    1 weight  0.10000E+01 volume  0.64395E-03 ppm1     10.664 ppm2      3.260 CV     1
 OR {  424}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 22   and name HB3 ))
 ASSI {  425}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 22   and name HE3 ))
      3.100     1.200     1.200 peak   425 spectrum    1 weight  0.10000E+01 volume  0.23527E-02 ppm1      8.602 ppm2      7.090 CV     1
 ASSI {  434}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 23   and name HA  ))
      2.500     0.800     0.800 peak   434 spectrum    1 weight  0.10000E+01 volume  0.55051E-02 ppm1      8.550 ppm2      4.740 CV     1
 ASSI {  437}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 23   and name HB  ))
      2.600     0.900     0.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.67509E-02 ppm1      8.550 ppm2      1.943 CV     1
 ASSI {  439}
   (( segid "A   " and resid 23   and name HN  ))
   (  segid "A   " and resid 23   and name HG1%)
      2.500     0.800     0.800 peak   439 spectrum    1 weight  0.10000E+01 volume  0.56692E-02 ppm1      8.551 ppm2      0.960 CV     1
 ASSI {  445}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 59   and name HA  ))
      3.200     1.300     1.300 peak   445 spectrum    1 weight  0.10000E+01 volume  0.19992E-02 ppm1      7.630 ppm2      4.056 CV     1
 ASSI {  449}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HA  ))
      3.400     1.400     1.400 peak   449 spectrum    1 weight  0.10000E+01 volume  0.15109E-02 ppm1      8.725 ppm2      4.071 CV     1
 ASSI {  450}
   (( segid "A   " and resid 7    and name HN  ))
   (  segid "A   " and resid 7    and name HB% )
      3.100     1.200     1.200 peak   450 spectrum    1 weight  0.10000E+01 volume  0.29756E-02 ppm1      8.724 ppm2      1.415 CV     1
 ASSI {  452}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 69   and name HA  ))
      2.500     0.800     0.800 peak   452 spectrum    1 weight  0.10000E+01 volume  0.81314E-02 ppm1      8.173 ppm2      4.409 CV     1
 ASSI {  453}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 68   and name HB2 ))
      2.800     1.000     1.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.50632E-02 ppm1      8.346 ppm2      1.627 CV     1
 OR {  453}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 68   and name HB3 ))
 ASSI {  454}
   (( segid "A   " and resid 68   and name HN  ))
   (  segid "A   " and resid 68   and name HD1%)
      4.200     2.200     1.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.13005E-02 ppm1      8.345 ppm2      0.893 CV     1
 OR {  454}
   (( segid "A   " and resid 68   and name HN  ))
   (  segid "A   " and resid 68   and name HD2%)
 ASSI {  459}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 75   and name HA  ))
      3.700     1.700     1.700 peak   459 spectrum    1 weight  0.10000E+01 volume  0.90910E-03 ppm1      8.052 ppm2      4.523 CV     1
 ASSI {  461}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 75   and name HB2 ))
      3.800     1.900     1.900 peak   461 spectrum    1 weight  0.10000E+01 volume  0.88385E-03 ppm1      8.050 ppm2      2.803 CV     1
 OR {  461}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 75   and name HB3 ))
 ASSI {  465}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 73   and name HA  ))
      3.600     1.600     1.600 peak   465 spectrum    1 weight  0.10000E+01 volume  0.10691E-02 ppm1      8.328 ppm2      4.396 CV     1
 ASSI {  466}
   (( segid "A   " and resid 73   and name HN  ))
   (  segid "A   " and resid 73   and name HB% )
      3.200     1.300     1.300 peak   466 spectrum    1 weight  0.10000E+01 volume  0.23190E-02 ppm1      8.329 ppm2      1.419 CV     1
 ASSI {  467}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 76   and name HA2 ))
      3.400     1.500     1.500 peak   467 spectrum    1 weight  0.10000E+01 volume  0.14016E-02 ppm1      8.195 ppm2      3.845 CV     1
 ASSI {  468}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 76   and name HA1 ))
      3.700     1.700     1.700 peak   468 spectrum    1 weight  0.10000E+01 volume  0.96382E-03 ppm1      8.194 ppm2      3.761 CV     1
 ASSI {  472}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 77   and name HB2 ))
      4.000     2.000     2.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.62290E-03 ppm1      8.135 ppm2      1.841 CV     1
 OR {  472}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 77   and name HB3 ))
 ASSI {  474}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HD2 ))
      3.500     1.600     1.600 peak   474 spectrum    1 weight  0.10000E+01 volume  0.88385E-03 ppm1      8.728 ppm2      2.872 CV     1
 OR {  474}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HD3 ))
 ASSI {  477}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HG2 ))
      3.200     1.300     1.300 peak   477 spectrum    1 weight  0.10000E+01 volume  0.42719E-02 ppm1      8.727 ppm2      0.951 CV     1
 OR {  477}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HG3 ))
 ASSI {  480}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HB2 ))
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.31272E-02 ppm1      8.727 ppm2     -0.455 CV     1
 OR {  480}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HB3 ))
 ASSI {  481}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 25   and name HA2 ))
      4.100     2.100     1.900 peak   481 spectrum    1 weight  0.10000E+01 volume  0.72812E-03 ppm1      9.194 ppm2      3.752 CV     1
 ASSI {  482}
   (( segid "A   " and resid 25   and name HN  ))
   (( segid "A   " and resid 25   and name HA1 ))
      4.300     2.300     1.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.23990E-03 ppm1      9.188 ppm2      4.012 CV     1
 ASSI {  485}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 52   and name HA  ))
      2.400     0.700     0.700 peak   485 spectrum    1 weight  0.10000E+01 volume  0.91247E-02 ppm1      8.661 ppm2      4.088 CV     1
 ASSI {  489}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 52   and name HB2 ))
      2.200     0.600     0.600 peak   489 spectrum    1 weight  0.10000E+01 volume  0.12887E-01 ppm1      8.658 ppm2      2.006 CV     1
 OR {  489}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 52   and name HB3 ))
 ASSI {  493}
   (( segid "A   " and resid 52   and name HN  ))
   (  segid "A   " and resid 52   and name HD2%)
      3.000     1.100     1.100 peak   493 spectrum    1 weight  0.10000E+01 volume  0.99370E-02 ppm1      8.661 ppm2      0.871 CV     1
 OR {  493}
   (( segid "A   " and resid 52   and name HN  ))
   (  segid "A   " and resid 52   and name HD1%)
 ASSI {  494}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 26   and name HG2 ))
      3.800     1.800     1.800 peak   494 spectrum    1 weight  0.10000E+01 volume  0.11280E-02 ppm1      8.812 ppm2      2.213 CV     1
 OR {  494}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 26   and name HG3 ))
 ASSI {  501}
   (( segid "A   " and resid 53   and name HN  ))
   (  segid "A   " and resid 53   and name HG2%)
      2.700     2.700     3.300 peak   501 spectrum    1 weight  0.10000E+01 volume  0.25875E-01 ppm1      8.547 ppm2      0.890 CV     1
 ASSI {  502}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 37   and name HA  ))
      2.500     0.800     0.800 peak   502 spectrum    1 weight  0.10000E+01 volume  0.57366E-02 ppm1      8.657 ppm2      4.685 CV     1
 ASSI {  525}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.74537E-02 ppm1      7.841 ppm2      4.259 CV     1
 ASSI {  528}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HB2 ))
      2.100     0.600     0.600 peak   528 spectrum    1 weight  0.10000E+01 volume  0.17538E-01 ppm1      8.875 ppm2      2.116 CV     1
 OR {  528}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HB3 ))
 ASSI {  532}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 21   and name HA  ))
      3.300     1.400     1.400 peak   532 spectrum    1 weight  0.10000E+01 volume  0.11111E-02 ppm1      8.067 ppm2      5.599 CV     1
 ASSI {  536}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 22   and name HZ3 ))
      5.200     3.400     0.800 peak   536 spectrum    1 weight  0.10000E+01 volume  0.28199E-03 ppm1      8.606 ppm2      6.774 CV     1
 ASSI {  538}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 22   and name HA  ))
      3.300     1.300     1.300 peak   538 spectrum    1 weight  0.10000E+01 volume  0.12879E-02 ppm1      8.602 ppm2      4.914 CV     1
 ASSI {  544}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HG  ))
      3.700     1.700     1.700 peak   544 spectrum    1 weight  0.10000E+01 volume  0.27063E-02 ppm1      8.428 ppm2      1.438 CV     1
 ASSI {  547}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak   547 spectrum    1 weight  0.10000E+01 volume  0.21802E-02 ppm1      8.728 ppm2      4.343 CV     1
 ASSI {  551}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 30   and name HB2 ))
      3.900     1.900     1.900 peak   551 spectrum    1 weight  0.10000E+01 volume  0.56818E-03 ppm1      7.406 ppm2      2.844 CV     1
 OR {  551}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 30   and name HB3 ))
 ASSI {  552}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      3.800     1.800     1.800 peak   552 spectrum    1 weight  0.10000E+01 volume  0.57661E-03 ppm1      7.416 ppm2      5.856 CV     1
 ASSI {  553}
   (( segid "A   " and resid 75   and name HD22))
   (( segid "A   " and resid 75   and name HB3 ))
      5.300     3.600     0.700 peak   553 spectrum    1 weight  0.10000E+01 volume  0.33249E-03 ppm1      7.618 ppm2      2.843 CV     1
 OR {  553}
   (( segid "A   " and resid 75   and name HD22))
   (( segid "A   " and resid 75   and name HB2 ))
 ASSI {  556}
   (( segid "A   " and resid 60   and name HE21))
   (( segid "A   " and resid 60   and name HG3 ))
      3.000     1.100     1.100 peak   556 spectrum    1 weight  0.10000E+01 volume  0.24790E-02 ppm1      7.581 ppm2      2.485 CV     1
 OR {  556}
   (( segid "A   " and resid 60   and name HE21))
   (( segid "A   " and resid 60   and name HG2 ))
 ASSI {  558}
   (( segid "A   " and resid 60   and name HE21))
   (( segid "A   " and resid 60   and name HB3 ))
      3.500     1.500     1.500 peak   558 spectrum    1 weight  0.10000E+01 volume  0.11743E-02 ppm1      7.582 ppm2      1.967 CV     1
 OR {  558}
   (( segid "A   " and resid 60   and name HE21))
   (( segid "A   " and resid 60   and name HB2 ))
 ASSI {  559}
   (( segid "A   " and resid 60   and name HE22))
   (( segid "A   " and resid 60   and name HG3 ))
      4.100     2.100     1.900 peak   559 spectrum    1 weight  0.10000E+01 volume  0.13889E-02 ppm1      6.983 ppm2      2.483 CV     1
 OR {  559}
   (( segid "A   " and resid 60   and name HE22))
   (( segid "A   " and resid 60   and name HG2 ))
 ASSI {  560}
   (( segid "A   " and resid 60   and name HE22))
   (( segid "A   " and resid 60   and name HB3 ))
      4.300     2.300     1.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.11069E-02 ppm1      6.983 ppm2      1.951 CV     1
 OR {  560}
   (( segid "A   " and resid 60   and name HE22))
   (( segid "A   " and resid 60   and name HB2 ))
 ASSI {  561}
   (( segid "A   " and resid 64   and name HE22))
   (( segid "A   " and resid 64   and name HG3 ))
      5.200     3.400     0.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.34091E-03 ppm1      7.498 ppm2      2.386 CV     1
 OR {  561}
   (( segid "A   " and resid 64   and name HE22))
   (( segid "A   " and resid 64   and name HG2 ))
 ASSI {  562}
   (( segid "A   " and resid 64   and name HE21))
   (( segid "A   " and resid 64   and name HG3 ))
      4.800     2.900     1.200 peak   562 spectrum    1 weight  0.10000E+01 volume  0.14731E-03 ppm1      6.839 ppm2      2.374 CV     1
 OR {  562}
   (( segid "A   " and resid 64   and name HE21))
   (( segid "A   " and resid 64   and name HG2 ))
 ASSI {  571}
   (( segid "A   " and resid 64   and name HE22))
   (( segid "A   " and resid 64   and name HE21))
      1.700     0.300     0.500 peak   571 spectrum    1 weight  0.10000E+01 volume  0.40173E-01 ppm1      7.500 ppm2      6.836 CV     1
 ASSI {  572}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 58   and name HE21))
      5.100     3.200     0.900 peak   572 spectrum    1 weight  0.10000E+01 volume  0.30724E-03 ppm1      7.662 ppm2      7.188 CV     1
 ASSI {  573}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 58   and name HG2 ))
      3.200     1.300     1.300 peak   573 spectrum    1 weight  0.10000E+01 volume  0.27315E-02 ppm1      7.666 ppm2      2.647 CV     1
 OR {  573}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 58   and name HG3 ))
 ASSI {  579}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HA  ))
      3.400     1.500     1.500 peak   579 spectrum    1 weight  0.10000E+01 volume  0.10648E-02 ppm1      7.529 ppm2      4.721 CV     1
 ASSI {  581}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HB2 ))
      2.900     1.100     1.100 peak   581 spectrum    1 weight  0.10000E+01 volume  0.31482E-02 ppm1      7.527 ppm2      1.992 CV     1
 OR {  581}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HB3 ))
 ASSI {  583}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HG2 ))
      4.400     2.400     1.600 peak   583 spectrum    1 weight  0.10000E+01 volume  0.44192E-03 ppm1      7.527 ppm2      2.487 CV     1
 OR {  583}
   (( segid "A   " and resid 60   and name HN  ))
   (( segid "A   " and resid 60   and name HG3 ))
 ASSI {  585}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 35   and name HA2 ))
      4.800     2.900     1.200 peak   585 spectrum    1 weight  0.10000E+01 volume  0.30303E-03 ppm1      8.727 ppm2      4.258 CV     1
 ASSI {  586}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 35   and name HA1 ))
      4.000     2.000     2.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.32408E-03 ppm1      8.716 ppm2      3.776 CV     1
 ASSI {  590}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HG3 ))
      3.500     1.500     1.500 peak   590 spectrum    1 weight  0.10000E+01 volume  0.13553E-02 ppm1      8.877 ppm2      1.804 CV     1
 OR {  590}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 20   and name HG2 ))
 ASSI {  592}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 24   and name HA  ))
      1.400     1.400     4.600 peak   592 spectrum    1 weight  0.10000E+01 volume  0.25655E+00 ppm1      8.650 ppm2      4.680 CV     1
 ASSI {  594}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 24   and name HB3 ))
      2.400     0.700     0.700 peak   594 spectrum    1 weight  0.10000E+01 volume  0.95624E-02 ppm1      8.643 ppm2      1.858 CV     1
 OR {  594}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 24   and name HB2 ))
 ASSI {  600}
   (( segid "A   " and resid 36   and name HN  ))
   (  segid "A   " and resid 36   and name HG2%)
      2.400     0.700     0.700 peak   600 spectrum    1 weight  0.10000E+01 volume  0.53578E-02 ppm1      7.446 ppm2      0.886 CV     1
 ASSI {  607}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 37   and name HG2 ))
      4.300     2.300     1.700 peak   607 spectrum    1 weight  0.10000E+01 volume  0.14562E-02 ppm1      8.658 ppm2      2.528 CV     1
 OR {  607}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 37   and name HG3 ))
 ASSI {  612}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 38   and name HB  ))
      3.200     1.200     1.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.40825E-02 ppm1      7.336 ppm2      4.770 CV     1
 ASSI {  626}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 47   and name HA2 ))
      1.900     1.900     4.100 peak   626 spectrum    1 weight  0.10000E+01 volume  0.73763E-01 ppm1      8.223 ppm2      4.076 CV     1
 ASSI {  630}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 48   and name HA  ))
      2.900     1.000     1.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.38510E-02 ppm1      7.323 ppm2      4.954 CV     1
 ASSI {  636}
   (( segid "A   " and resid 48   and name HN  ))
   (  segid "A   " and resid 48   and name HB% )
      2.400     0.700     0.700 peak   636 spectrum    1 weight  0.10000E+01 volume  0.10441E-01 ppm1      7.323 ppm2      1.406 CV     1
 ASSI {  650}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HB2 ))
      2.200     0.600     0.600 peak   650 spectrum    1 weight  0.10000E+01 volume  0.12563E-01 ppm1      8.339 ppm2      1.890 CV     1
 OR {  650}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HB3 ))
 ASSI {  651}
   (( segid "A   " and resid 64   and name HN  ))
   (( segid "A   " and resid 64   and name HA  ))
      3.200     1.300     1.300 peak   651 spectrum    1 weight  0.10000E+01 volume  0.21002E-02 ppm1      8.321 ppm2      4.401 CV     1
 ASSI {  653}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 67   and name HA  ))
      4.200     2.200     1.800 peak   653 spectrum    1 weight  0.10000E+01 volume  0.39562E-03 ppm1      8.247 ppm2      4.544 CV     1
 ASSI {  654}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 67   and name HB2 ))
      4.200     2.200     1.800 peak   654 spectrum    1 weight  0.10000E+01 volume  0.61027E-03 ppm1      8.253 ppm2      3.607 CV     1
 OR {  654}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 67   and name HB3 ))
 ASSI {  656}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 68   and name HA  ))
      3.100     1.200     1.200 peak   656 spectrum    1 weight  0.10000E+01 volume  0.23064E-02 ppm1      8.344 ppm2      4.391 CV     1
 ASSI {  657}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 69   and name HB3 ))
      2.600     0.800     0.800 peak   657 spectrum    1 weight  0.10000E+01 volume  0.79630E-02 ppm1      8.174 ppm2      1.602 CV     1
 OR {  657}
   (( segid "A   " and resid 69   and name HN  ))
   (( segid "A   " and resid 69   and name HB2 ))
 ASSI {  658}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 70   and name HA  ))
      3.100     1.200     1.200 peak   658 spectrum    1 weight  0.10000E+01 volume  0.21213E-02 ppm1      8.161 ppm2      4.609 CV     1
 ASSI {  663}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 77   and name HA  ))
      4.700     2.800     1.300 peak   663 spectrum    1 weight  0.10000E+01 volume  0.19781E-03 ppm1      8.117 ppm2      4.551 CV     1
 ASSI {  679}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
      2.800     1.000     1.000 peak   679 spectrum    1 weight  0.10000E+01 volume  0.26011E-02 ppm1      8.429 ppm2      4.470 CV     1
 ASSI {  685}
   (( segid "A   " and resid 31   and name HE22))
   (( segid "A   " and resid 31   and name HG2 ))
      4.700     2.700     1.300 peak   685 spectrum    1 weight  0.10000E+01 volume  0.66078E-03 ppm1      7.534 ppm2      2.525 CV     1
 OR {  685}
   (( segid "A   " and resid 31   and name HE22))
   (( segid "A   " and resid 31   and name HG3 ))
 ASSI {  686}
   (( segid "A   " and resid 31   and name HE22))
   (( segid "A   " and resid 31   and name HB2 ))
      5.800     4.100     0.200 peak   686 spectrum    1 weight  0.10000E+01 volume  0.16415E-03 ppm1      7.539 ppm2      2.264 CV     1
 OR {  686}
   (( segid "A   " and resid 31   and name HE22))
   (( segid "A   " and resid 31   and name HB3 ))
 ASSI {  687}
   (( segid "A   " and resid 31   and name HE21))
   (( segid "A   " and resid 31   and name HG2 ))
      4.000     2.000     2.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.39142E-03 ppm1      6.861 ppm2      2.527 CV     1
 OR {  687}
   (( segid "A   " and resid 31   and name HE21))
   (( segid "A   " and resid 31   and name HG3 ))
 ASSI {  688}
   (( segid "A   " and resid 31   and name HE21))
   (( segid "A   " and resid 31   and name HB2 ))
      5.200     3.400     0.800 peak   688 spectrum    1 weight  0.10000E+01 volume  0.12206E-03 ppm1      6.866 ppm2      2.264 CV     1
 OR {  688}
   (( segid "A   " and resid 31   and name HE21))
   (( segid "A   " and resid 31   and name HB3 ))
 ASSI {  690}
   (( segid "A   " and resid 31   and name HE22))
   (( segid "A   " and resid 31   and name HE21))
      2.000     0.500     0.500 peak   690 spectrum    1 weight  0.10000E+01 volume  0.11928E-01 ppm1      7.534 ppm2      6.863 CV     1
 ASSI {  692}
   (( segid "A   " and resid 60   and name HE21))
   (( segid "A   " and resid 60   and name HE22))
      1.900     0.500     0.500 peak   692 spectrum    1 weight  0.10000E+01 volume  0.16259E-01 ppm1      7.581 ppm2      6.981 CV     1
 ASSI {  703}
   (( segid "A   " and resid 23   and name HN  ))
   (  segid "A   " and resid 23   and name HG2%)
      4.600     2.700     1.400 peak   703 spectrum    1 weight  0.10000E+01 volume  0.11574E-02 ppm1      8.551 ppm2      0.880 CV     1
 ASSI {  708}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 41   and name HG  ))
      4.700     2.800     1.300 peak   708 spectrum    1 weight  0.10000E+01 volume  0.63132E-03 ppm1      7.855 ppm2      1.485 CV     1
 ASSI {  738}
   (( segid "A   " and resid 64   and name HE22))
   (( segid "A   " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.11784E-03 ppm1      7.500 ppm2      8.286 CV     1
 ASSI {  739}
   (( segid "A   " and resid 75   and name HD22))
   (( segid "A   " and resid 75   and name HD21))
      2.500     0.800     0.800 peak   739 spectrum    1 weight  0.10000E+01 volume  0.38174E-02 ppm1      7.615 ppm2      6.936 CV     1
 ASSI {    2}
   (( segid "A   " and resid 31   and name HN  ))
   (  segid "A   " and resid 30   and name HD% )
      2.600     0.800     0.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.31524E-02 ppm1      8.981 ppm2      6.754 CV     1
 ASSI {   15}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 17   and name HB2 ))
      3.000     1.100     1.100 peak    15 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      7.881 ppm2      1.780 CV     1
 OR {   15}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 17   and name HB3 ))
 ASSI {   16}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 17   and name HG  ))
      3.700     1.700     1.700 peak    16 spectrum    1 weight  0.10000E+01 volume  0.32619E-02 ppm1      7.881 ppm2      1.563 CV     1
 ASSI {   18}
   (( segid "A   " and resid 18   and name HN  ))
   (  segid "A   " and resid 17   and name HD1%)
      5.100     3.200     0.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.66499E-03 ppm1      7.883 ppm2      0.648 CV     1
 ASSI {   21}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak    21 spectrum    1 weight  0.10000E+01 volume  0.56145E-02 ppm1      7.882 ppm2      7.327 CV     1
 ASSI {   23}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak    23 spectrum    1 weight  0.10000E+01 volume  0.38636E-02 ppm1      7.330 ppm2      8.166 CV     1
 ASSI {   27}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 16   and name HB3 ))
      3.100     1.200     1.200 peak    27 spectrum    1 weight  0.10000E+01 volume  0.23612E-02 ppm1      7.331 ppm2      4.137 CV     1
 OR {   27}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 16   and name HB2 ))
 ASSI {   41}
   (( segid "A   " and resid 16   and name HN  ))
   (  segid "A   " and resid 15   and name HB% )
      2.700     0.900     0.900 peak    41 spectrum    1 weight  0.10000E+01 volume  0.62248E-02 ppm1      8.171 ppm2      1.555 CV     1
 ASSI {   43}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.42845E-02 ppm1      8.830 ppm2      8.363 CV     1
 ASSI {   46}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 13   and name HE1 ))
      4.300     2.300     1.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.52609E-03 ppm1      8.828 ppm2      6.600 CV     1
 ASSI {   47}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 13   and name HA  ))
      3.300     1.400     1.400 peak    47 spectrum    1 weight  0.10000E+01 volume  0.18729E-02 ppm1      8.829 ppm2      4.446 CV     1
 ASSI {   51}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 13   and name HB3 ))
      2.800     0.900     0.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.76558E-02 ppm1      8.830 ppm2      3.317 CV     1
 OR {   51}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 13   and name HB2 ))
 ASSI {   61}
   (( segid "A   " and resid 13   and name HN  ))
   (  segid "A   " and resid 12   and name HB% )
      2.400     0.700     0.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.89563E-02 ppm1      8.365 ppm2      1.550 CV     1
 ASSI {   62}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      2.200     0.600     0.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.84849E-02 ppm1      8.982 ppm2      5.861 CV     1
 ASSI {   66}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 30   and name HB2 ))
      3.200     1.200     1.200 peak    66 spectrum    1 weight  0.10000E+01 volume  0.68056E-02 ppm1      8.987 ppm2      2.800 CV     1
 OR {   66}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 30   and name HB3 ))
 ASSI {   73}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 30   and name HZ  ))
      4.900     3.000     1.100 peak    73 spectrum    1 weight  0.10000E+01 volume  0.71549E-03 ppm1      8.982 ppm2      7.286 CV     1
 ASSI {   77}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 25   and name HA1 ))
      3.500     1.500     1.500 peak    77 spectrum    1 weight  0.10000E+01 volume  0.49412E-02 ppm1      8.812 ppm2      4.020 CV     1
 ASSI {   78}
   (( segid "A   " and resid 26   and name HN  ))
   (( segid "A   " and resid 25   and name HA2 ))
      2.500     0.800     0.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.38595E-02 ppm1      8.813 ppm2      3.742 CV     1
 ASSI {   81}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 2    and name HA  ))
      3.400     1.500     1.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.13005E-02 ppm1      8.540 ppm2      4.494 CV     1
 ASSI {   85}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HA  ))
      2.300     0.700     0.700 peak    85 spectrum    1 weight  0.10000E+01 volume  0.11300E-01 ppm1      9.134 ppm2      4.735 CV     1
 ASSI {   86}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HG3 ))
      3.800     1.800     1.800 peak    86 spectrum    1 weight  0.10000E+01 volume  0.10480E-02 ppm1      9.133 ppm2      2.527 CV     1
 OR {   86}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HG2 ))
 ASSI {   87}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HB2 ))
      4.300     2.300     1.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.14226E-02 ppm1      9.130 ppm2      2.285 CV     1
 OR {   87}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HB3 ))
 ASSI {   91}
   (( segid "A   " and resid 20   and name HN  ))
   (  segid "A   " and resid 19   and name HG1%)
      2.800     1.000     1.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.63974E-02 ppm1      8.874 ppm2      0.871 CV     1
 OR {   91}
   (( segid "A   " and resid 20   and name HN  ))
   (  segid "A   " and resid 19   and name HG2%)
 ASSI {   95}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 19   and name HA  ))
      2.300     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.93057E-02 ppm1      8.874 ppm2      4.257 CV     1
 ASSI {   99}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 19   and name HN  ))
      4.600     2.700     1.400 peak    99 spectrum    1 weight  0.10000E+01 volume  0.57661E-03 ppm1      8.874 ppm2      7.855 CV     1
 ASSI {  103}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 23   and name HB  ))
      3.300     1.400     1.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.78704E-02 ppm1      8.645 ppm2      1.931 CV     1
 ASSI {  105}
   (( segid "A   " and resid 24   and name HN  ))
   (  segid "A   " and resid 23   and name HG2%)
      2.700     0.900     0.900 peak   105 spectrum    1 weight  0.10000E+01 volume  0.68350E-02 ppm1      8.645 ppm2      0.878 CV     1
 ASSI {  106}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 3    and name HA  ))
      3.600     1.600     1.600 peak   106 spectrum    1 weight  0.10000E+01 volume  0.10859E-02 ppm1      8.412 ppm2      4.345 CV     1
 ASSI {  108}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.47938E-02 ppm1      8.056 ppm2      4.561 CV     1
 ASSI {  110}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 77   and name HB2 ))
      3.200     1.300     1.300 peak   110 spectrum    1 weight  0.10000E+01 volume  0.28662E-02 ppm1      8.055 ppm2      1.825 CV     1
 OR {  110}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 77   and name HB3 ))
 ASSI {  111}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 77   and name HG3 ))
      2.900     1.100     1.100 peak   111 spectrum    1 weight  0.10000E+01 volume  0.44192E-02 ppm1      8.056 ppm2      1.613 CV     1
 OR {  111}
   (( segid "A   " and resid 78   and name HN  ))
   (( segid "A   " and resid 77   and name HG2 ))
 ASSI {  113}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 69   and name HB2 ))
      3.400     1.400     1.400 peak   113 spectrum    1 weight  0.10000E+01 volume  0.25294E-02 ppm1      8.159 ppm2      1.610 CV     1
 OR {  113}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 69   and name HB3 ))
 ASSI {  115}
   (( segid "A   " and resid 70   and name HN  ))
   (  segid "A   " and resid 69   and name HD1%)
      3.800     1.800     1.800 peak   115 spectrum    1 weight  0.10000E+01 volume  0.84596E-03 ppm1      8.160 ppm2      0.865 CV     1
 ASSI {  116}
   (( segid "A   " and resid 70   and name HN  ))
   (( segid "A   " and resid 69   and name HA  ))
      2.600     0.900     0.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.58460E-02 ppm1      8.159 ppm2      4.400 CV     1
 ASSI {  119}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 8    and name HA2 ))
      2.900     1.100     1.100 peak   119 spectrum    1 weight  0.10000E+01 volume  0.30387E-02 ppm1      7.802 ppm2      3.805 CV     1
 ASSI {  120}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 8    and name HA1 ))
      3.600     1.600     1.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.21549E-02 ppm1      7.802 ppm2      3.565 CV     1
 ASSI {  124}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.39647E-02 ppm1      7.801 ppm2      8.462 CV     1
 ASSI {  126}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HN  ))
      3.400     1.500     1.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.10900E-02 ppm1      8.465 ppm2      8.722 CV     1
 ASSI {  128}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HA  ))
      3.200     1.300     1.300 peak   128 spectrum    1 weight  0.10000E+01 volume  0.26684E-02 ppm1      8.464 ppm2      4.083 CV     1
 ASSI {  131}
   (( segid "A   " and resid 8    and name HN  ))
   (  segid "A   " and resid 7    and name HB% )
      2.900     1.000     1.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.41667E-02 ppm1      8.464 ppm2      1.421 CV     1
 ASSI {  136}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HB2 ))
      3.300     1.400     1.400 peak   136 spectrum    1 weight  0.10000E+01 volume  0.42046E-02 ppm1      8.427 ppm2      1.878 CV     1
 OR {  136}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HB3 ))
 ASSI {  137}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HD3 ))
      3.300     1.400     1.400 peak   137 spectrum    1 weight  0.10000E+01 volume  0.12079E-02 ppm1      8.430 ppm2      3.218 CV     1
 OR {  137}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HD2 ))
 ASSI {  138}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HA  ))
      2.200     0.600     0.600 peak   138 spectrum    1 weight  0.10000E+01 volume  0.11915E-01 ppm1      8.428 ppm2      4.576 CV     1
 ASSI {  139}
   (( segid "A   " and resid 28   and name HN  ))
   (( segid "A   " and resid 27   and name HN  ))
      3.800     1.800     1.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.16878E-02 ppm1      8.427 ppm2      8.006 CV     1
 ASSI {  140}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HN  ))
      3.700     1.700     1.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.19108E-02 ppm1      8.728 ppm2      8.460 CV     1
 ASSI {  141}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 66   and name HA1 ))
      3.100     1.200     1.200 peak   141 spectrum    1 weight  0.10000E+01 volume  0.27736E-02 ppm1      8.260 ppm2      4.011 CV     1
 ASSI {  143}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HA  ))
      2.800     1.000     1.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.46296E-02 ppm1      7.664 ppm2      4.119 CV     1
 ASSI {  144}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HD3 ))
      3.600     1.600     1.600 peak   144 spectrum    1 weight  0.10000E+01 volume  0.42509E-03 ppm1      7.668 ppm2      3.192 CV     1
 OR {  144}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HD2 ))
 ASSI {  147}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HB3 ))
      2.600     0.900     0.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.64563E-02 ppm1      7.664 ppm2      1.972 CV     1
 OR {  147}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HB2 ))
 ASSI {  148}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HG2 ))
      3.500     1.500     1.500 peak   148 spectrum    1 weight  0.10000E+01 volume  0.30555E-02 ppm1      7.662 ppm2      1.764 CV     1
 OR {  148}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 57   and name HG3 ))
 ASSI {  154}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 56   and name HN  ))
      2.600     0.900     0.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.36953E-02 ppm1      8.337 ppm2      8.684 CV     1
 ASSI {  160}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 56   and name HB3 ))
      3.200     1.300     1.300 peak   160 spectrum    1 weight  0.10000E+01 volume  0.26936E-02 ppm1      8.338 ppm2      1.548 CV     1
 OR {  160}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
 ASSI {  164}
   (( segid "A   " and resid 57   and name HN  ))
   (  segid "A   " and resid 56   and name HD2%)
      4.300     2.300     1.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.92593E-03 ppm1      8.337 ppm2      0.747 CV     1
 ASSI {  169}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 10   and name HB3 ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.14441E-01 ppm1      8.338 ppm2      1.719 CV     1
 OR {  169}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  178}
   (( segid "A   " and resid 10   and name HN  ))
   (  segid "A   " and resid 9    and name HB% )
      2.500     0.800     0.800 peak   178 spectrum    1 weight  0.10000E+01 volume  0.87627E-02 ppm1      7.948 ppm2      1.518 CV     1
 ASSI {  181}
   (( segid "A   " and resid 12   and name HN  ))
   (  segid "A   " and resid 11   and name HD1%)
      3.000     1.200     1.200 peak   181 spectrum    1 weight  0.10000E+01 volume  0.39268E-02 ppm1      7.927 ppm2      0.892 CV     1
 ASSI {  183}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 11   and name HB3 ))
      2.600     0.800     0.800 peak   183 spectrum    1 weight  0.10000E+01 volume  0.67972E-02 ppm1      7.927 ppm2      1.699 CV     1
 OR {  183}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 11   and name HB2 ))
 ASSI {  186}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   186 spectrum    1 weight  0.10000E+01 volume  0.25000E-02 ppm1      7.927 ppm2      3.906 CV     1
 ASSI {  190}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 71   and name HA  ))
      2.600     0.800     0.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.77484E-02 ppm1      8.094 ppm2      4.484 CV     1
 ASSI {  194}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 71   and name HB2 ))
      3.100     1.200     1.200 peak   194 spectrum    1 weight  0.10000E+01 volume  0.31861E-02 ppm1      8.098 ppm2      1.955 CV     1
 OR {  194}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 71   and name HB3 ))
 ASSI {  202}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 18   and name HA1 ))
      2.800     1.000     1.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.50295E-02 ppm1      7.849 ppm2      4.314 CV     1
 ASSI {  204}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 18   and name HA2 ))
      3.400     1.400     1.400 peak   204 spectrum    1 weight  0.10000E+01 volume  0.23401E-02 ppm1      7.843 ppm2      3.724 CV     1
 ASSI {  211}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak   211 spectrum    1 weight  0.10000E+01 volume  0.81019E-02 ppm1      8.037 ppm2      8.250 CV     1
 ASSI {  212}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
      3.200     1.300     1.300 peak   212 spectrum    1 weight  0.10000E+01 volume  0.22686E-02 ppm1      8.036 ppm2      4.286 CV     1
 ASSI {  222}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 44   and name HN  ))
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.52441E-02 ppm1      8.430 ppm2      8.038 CV     1
 ASSI {  224}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 44   and name HA  ))
      2.900     1.100     1.100 peak   224 spectrum    1 weight  0.10000E+01 volume  0.38973E-02 ppm1      8.430 ppm2      4.110 CV     1
 ASSI {  227}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 44   and name HB2 ))
      2.400     0.700     0.700 peak   227 spectrum    1 weight  0.10000E+01 volume  0.74537E-02 ppm1      8.430 ppm2      1.943 CV     1
 OR {  227}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 44   and name HB3 ))
 ASSI {  239}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 45   and name HB2 ))
      2.500     0.800     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.70539E-02 ppm1      8.195 ppm2      0.974 CV     1
 OR {  239}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 45   and name HB3 ))
 ASSI {  242}
   (( segid "A   " and resid 46   and name HN  ))
   (  segid "A   " and resid 45   and name HD2%)
      3.500     1.500     1.500 peak   242 spectrum    1 weight  0.10000E+01 volume  0.47139E-03 ppm1      8.195 ppm2      0.641 CV     1
 ASSI {  243}
   (( segid "A   " and resid 46   and name HN  ))
   (  segid "A   " and resid 45   and name HD1%)
      3.500     1.500     1.500 peak   243 spectrum    1 weight  0.10000E+01 volume  0.47139E-03 ppm1      8.199 ppm2      0.423 CV     1
 ASSI {  248}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      3.500     1.500     1.500 peak   248 spectrum    1 weight  0.10000E+01 volume  0.14142E-02 ppm1      8.262 ppm2      3.649 CV     1
 ASSI {  250}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 42   and name HG3 ))
      3.300     1.300     1.300 peak   250 spectrum    1 weight  0.10000E+01 volume  0.39352E-02 ppm1      8.263 ppm2      2.251 CV     1
 OR {  250}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 42   and name HG2 ))
 ASSI {  251}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 42   and name HB3 ))
      2.500     0.800     0.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.67131E-02 ppm1      8.263 ppm2      2.084 CV     1
 OR {  251}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 42   and name HB2 ))
 ASSI {  253}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 41   and name HN  ))
      2.600     0.800     0.800 peak   253 spectrum    1 weight  0.10000E+01 volume  0.48695E-02 ppm1      8.632 ppm2      7.852 CV     1
 ASSI {  255}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 14   and name HA  ))
      3.100     1.200     1.200 peak   255 spectrum    1 weight  0.10000E+01 volume  0.27736E-02 ppm1      8.663 ppm2      3.765 CV     1
 ASSI {  264}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 52   and name HB2 ))
      3.000     1.100     1.100 peak   264 spectrum    1 weight  0.10000E+01 volume  0.21843E-02 ppm1      8.549 ppm2      1.223 CV     1
 OR {  264}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 52   and name HB3 ))
 ASSI {  268}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   268 spectrum    1 weight  0.10000E+01 volume  0.24495E-02 ppm1      8.544 ppm2      4.088 CV     1
 ASSI {  274}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.45960E-02 ppm1      7.363 ppm2      8.547 CV     1
 ASSI {  279}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 53   and name HA  ))
      3.500     1.600     1.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.13342E-02 ppm1      7.364 ppm2      3.510 CV     1
 ASSI {  281}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 53   and name HB  ))
      2.300     0.700     0.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.77610E-02 ppm1      7.364 ppm2      1.885 CV     1
 ASSI {  286}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 48   and name HA  ))
      2.900     1.100     1.100 peak   286 spectrum    1 weight  0.10000E+01 volume  0.21254E-02 ppm1      7.213 ppm2      4.954 CV     1
 ASSI {  292}
   (( segid "A   " and resid 49   and name HN  ))
   (  segid "A   " and resid 48   and name HB% )
      3.000     1.100     1.100 peak   292 spectrum    1 weight  0.10000E+01 volume  0.35438E-02 ppm1      7.212 ppm2      1.388 CV     1
 ASSI {  298}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak   298 spectrum    1 weight  0.10000E+01 volume  0.41920E-02 ppm1      8.544 ppm2      1.962 CV     1
 OR {  298}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HB3 ))
 ASSI {  300}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HG3 ))
      2.900     1.100     1.100 peak   300 spectrum    1 weight  0.10000E+01 volume  0.15320E-02 ppm1      8.545 ppm2      1.354 CV     1
 OR {  300}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HG2 ))
 ASSI {  303}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HN  ))
      2.300     0.700     0.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.66920E-02 ppm1      8.253 ppm2      8.535 CV     1
 ASSI {  306}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HB2 ))
      3.000     1.100     1.100 peak   306 spectrum    1 weight  0.10000E+01 volume  0.43098E-02 ppm1      8.248 ppm2      3.202 CV     1
 OR {  306}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HB3 ))
 ASSI {  307}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      3.200     1.300     1.300 peak   307 spectrum    1 weight  0.10000E+01 volume  0.20076E-02 ppm1      8.247 ppm2      4.327 CV     1
 ASSI {  315}
   (( segid "A   " and resid 35   and name HN  ))
   (( segid "A   " and resid 34   and name HA  ))
      3.400     1.500     1.500 peak   315 spectrum    1 weight  0.10000E+01 volume  0.84596E-03 ppm1      8.732 ppm2      4.396 CV     1
 ASSI {  337}
   (( segid "A   " and resid 42   and name HE22))
   (  segid "A   " and resid 41   and name HD2%)
      4.300     2.300     1.700 peak   337 spectrum    1 weight  0.10000E+01 volume  0.66499E-03 ppm1      7.274 ppm2      0.880 CV     1
 ASSI {  338}
   (( segid "A   " and resid 42   and name HE21))
   (  segid "A   " and resid 41   and name HD2%)
      4.700     2.800     1.300 peak   338 spectrum    1 weight  0.10000E+01 volume  0.40825E-03 ppm1      6.816 ppm2      0.879 CV     1
 ASSI {  341}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak   341 spectrum    1 weight  0.10000E+01 volume  0.44908E-02 ppm1      7.986 ppm2      8.812 CV     1
 ASSI {  344}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 26   and name HA  ))
      3.100     1.200     1.200 peak   344 spectrum    1 weight  0.10000E+01 volume  0.35733E-02 ppm1      7.986 ppm2      4.248 CV     1
 ASSI {  349}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 26   and name HB3 ))
      2.900     1.000     1.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.88342E-02 ppm1      7.986 ppm2      1.902 CV     1
 OR {  349}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 26   and name HB2 ))
 ASSI {  360}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 40   and name HN  ))
      2.800     1.000     1.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.35438E-02 ppm1      7.851 ppm2      8.484 CV     1
 ASSI {  365}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 40   and name HG2 ))
      3.500     1.500     1.500 peak   365 spectrum    1 weight  0.10000E+01 volume  0.22096E-02 ppm1      7.851 ppm2      2.291 CV     1
 OR {  365}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 40   and name HG3 ))
 ASSI {  371}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 39   and name HA  ))
      3.500     1.500     1.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.12795E-02 ppm1      8.476 ppm2      4.300 CV     1
 ASSI {  379}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 37   and name HA  ))
      2.200     2.200     3.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.12198E-01 ppm1      7.336 ppm2      4.655 CV     1
 ASSI {  382}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 37   and name HG3 ))
      4.100     2.100     1.900 peak   382 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      7.333 ppm2      2.530 CV     1
 ASSI {  385}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 37   and name HB2 ))
      3.100     1.200     1.200 peak   385 spectrum    1 weight  0.10000E+01 volume  0.36532E-02 ppm1      7.336 ppm2      1.640 CV     1
 OR {  385}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 37   and name HB3 ))
 ASSI {  388}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 37   and name HN  ))
      3.100     1.200     1.200 peak   388 spectrum    1 weight  0.10000E+01 volume  0.17130E-02 ppm1      7.336 ppm2      8.642 CV     1
 ASSI {  395}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 35   and name HA2 ))
      3.200     1.300     1.300 peak   395 spectrum    1 weight  0.10000E+01 volume  0.22895E-02 ppm1      7.440 ppm2      4.241 CV     1
 ASSI {  397}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 35   and name HA1 ))
      3.000     1.100     1.100 peak   397 spectrum    1 weight  0.10000E+01 volume  0.31229E-02 ppm1      7.441 ppm2      3.804 CV     1
 ASSI {  404}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   404 spectrum    1 weight  0.10000E+01 volume  0.40868E-02 ppm1      7.722 ppm2      7.363 CV     1
 ASSI {  410}
   (( segid "A   " and resid 55   and name HN  ))
   (  segid "A   " and resid 54   and name HB% )
      2.600     0.900     0.900 peak   410 spectrum    1 weight  0.10000E+01 volume  0.67677E-02 ppm1      7.723 ppm2      1.516 CV     1
 ASSI {  426}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.67088E-02 ppm1      8.604 ppm2      5.597 CV     1
 ASSI {  429}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 21   and name HB3 ))
      2.900     1.000     1.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.54336E-02 ppm1      8.601 ppm2      1.540 CV     1
 OR {  429}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 21   and name HB2 ))
 ASSI {  430}
   (( segid "A   " and resid 22   and name HN  ))
   (  segid "A   " and resid 21   and name HD1%)
      3.400     3.400     2.600 peak   430 spectrum    1 weight  0.10000E+01 volume  0.78872E-02 ppm1      8.597 ppm2      0.852 CV     1
 ASSI {  432}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 22   and name HD1 ))
      3.500     1.500     1.500 peak   432 spectrum    1 weight  0.10000E+01 volume  0.18687E-02 ppm1      8.551 ppm2      6.988 CV     1
 ASSI {  433}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 22   and name HA  ))
      2.400     0.700     0.700 peak   433 spectrum    1 weight  0.10000E+01 volume  0.72559E-02 ppm1      8.551 ppm2      4.911 CV     1
 ASSI {  435}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 22   and name HB2 ))
      2.800     1.000     1.000 peak   435 spectrum    1 weight  0.10000E+01 volume  0.65488E-02 ppm1      8.551 ppm2      3.429 CV     1
 OR {  435}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 22   and name HB3 ))
 ASSI {  441}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HG2 ))
      2.900     1.100     1.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.33039E-02 ppm1      7.632 ppm2      2.501 CV     1
 OR {  441}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HG3 ))
 ASSI {  444}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HA  ))
      3.600     1.600     1.600 peak   444 spectrum    1 weight  0.10000E+01 volume  0.11827E-02 ppm1      7.629 ppm2      4.336 CV     1
 ASSI {  451}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HA2 ))
      2.700     0.900     0.900 peak   451 spectrum    1 weight  0.10000E+01 volume  0.84933E-02 ppm1      8.267 ppm2      4.074 CV     1
 ASSI {  456}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 67   and name HB2 ))
      3.900     1.900     1.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.11953E-02 ppm1      8.345 ppm2      3.771 CV     1
 OR {  456}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 67   and name HB3 ))
 ASSI {  457}
   (( segid "A   " and resid 68   and name HN  ))
   (( segid "A   " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.51516E-02 ppm1      8.346 ppm2      4.543 CV     1
 ASSI {  458}
   (( segid "A   " and resid 74   and name HN  ))
   (( segid "A   " and resid 73   and name HA  ))
      3.500     1.500     1.500 peak   458 spectrum    1 weight  0.10000E+01 volume  0.14773E-02 ppm1      8.396 ppm2      4.394 CV     1
 ASSI {  460}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 74   and name HA  ))
      3.200     1.200     1.200 peak   460 spectrum    1 weight  0.10000E+01 volume  0.24831E-02 ppm1      8.053 ppm2      4.398 CV     1
 ASSI {  463}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 74   and name HB3 ))
      4.300     2.300     1.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.49664E-03 ppm1      8.052 ppm2      1.800 CV     1
 OR {  463}
   (( segid "A   " and resid 75   and name HN  ))
   (( segid "A   " and resid 74   and name HB2 ))
 ASSI {  464}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.41415E-02 ppm1      8.331 ppm2      4.117 CV     1
 ASSI {  469}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 75   and name HB3 ))
      3.600     1.600     1.600 peak   469 spectrum    1 weight  0.10000E+01 volume  0.11743E-02 ppm1      8.195 ppm2      2.808 CV     1
 OR {  469}
   (( segid "A   " and resid 76   and name HN  ))
   (( segid "A   " and resid 75   and name HB2 ))
 ASSI {  471}
   (( segid "A   " and resid 77   and name HN  ))
   (( segid "A   " and resid 76   and name HA2 ))
      3.300     1.300     1.300 peak   471 spectrum    1 weight  0.10000E+01 volume  0.15615E-02 ppm1      8.133 ppm2      3.846 CV     1
 ASSI {  473}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
      2.100     0.500     0.500 peak   473 spectrum    1 weight  0.10000E+01 volume  0.11898E-01 ppm1      8.727 ppm2      4.496 CV     1
 ASSI {  479}
   (( segid "A   " and resid 29   and name HN  ))
   (  segid "A   " and resid 28   and name HD2%)
      2.500     0.800     0.800 peak   479 spectrum    1 weight  0.10000E+01 volume  0.58124E-02 ppm1      8.726 ppm2      0.826 CV     1
 ASSI {  488}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 51   and name HB3 ))
      2.600     0.800     0.800 peak   488 spectrum    1 weight  0.10000E+01 volume  0.59723E-02 ppm1      8.657 ppm2      2.175 CV     1
 OR {  488}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 51   and name HB2 ))
 ASSI {  491}
   (( segid "A   " and resid 15   and name HN  ))
   (  segid "A   " and resid 14   and name HB% )
      2.400     0.700     0.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.10413E-01 ppm1      8.663 ppm2      1.423 CV     1
 ASSI {  496}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak   496 spectrum    1 weight  0.10000E+01 volume  0.64058E-02 ppm1      8.194 ppm2      3.875 CV     1
 ASSI {  497}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HB2 ))
      3.600     1.600     1.600 peak   497 spectrum    1 weight  0.10000E+01 volume  0.27021E-02 ppm1      8.724 ppm2      1.279 CV     1
 OR {  497}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HB3 ))
 ASSI {  498}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 23   and name HA  ))
      2.000     0.500     0.500 peak   498 spectrum    1 weight  0.10000E+01 volume  0.16722E-01 ppm1      8.645 ppm2      4.732 CV     1
 ASSI {  509}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 54   and name HA  ))
      2.800     1.000     1.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.54462E-02 ppm1      7.724 ppm2      4.061 CV     1
 ASSI {  515}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 12   and name HA  ))
      3.200     1.300     1.300 peak   515 spectrum    1 weight  0.10000E+01 volume  0.28451E-02 ppm1      8.362 ppm2      4.109 CV     1
 ASSI {  531}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak   531 spectrum    1 weight  0.10000E+01 volume  0.68224E-02 ppm1      8.073 ppm2      5.080 CV     1
 ASSI {  533}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 20   and name HD3 ))
      5.500     3.800     0.500 peak   533 spectrum    1 weight  0.10000E+01 volume  0.29462E-03 ppm1      8.074 ppm2      3.249 CV     1
 OR {  533}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 20   and name HD2 ))
 ASSI {  548}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 29   and name HB3 ))
      4.100     2.100     1.900 peak   548 spectrum    1 weight  0.10000E+01 volume  0.53031E-03 ppm1      7.391 ppm2     -0.452 CV     1
 OR {  548}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 29   and name HB2 ))
 ASSI {  550}
   (( segid "A   " and resid 30   and name HN  ))
   (( segid "A   " and resid 29   and name HA  ))
      2.900     1.100     1.100 peak   550 spectrum    1 weight  0.10000E+01 volume  0.22769E-02 ppm1      7.414 ppm2      4.348 CV     1
 ASSI {  577}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HB3 ))
      3.100     1.200     1.200 peak   577 spectrum    1 weight  0.10000E+01 volume  0.36237E-02 ppm1      7.631 ppm2      2.396 CV     1
 OR {  577}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HB2 ))
 ASSI {  584}
   (( segid "A   " and resid 60   and name HN  ))
   (  segid "A   " and resid 59   and name HD1%)
      3.900     1.900     1.900 peak   584 spectrum    1 weight  0.10000E+01 volume  0.24411E-03 ppm1      7.520 ppm2      0.974 CV     1
 ASSI {  587}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 40   and name HB3 ))
      2.700     0.900     0.900 peak   587 spectrum    1 weight  0.10000E+01 volume  0.48065E-02 ppm1      7.851 ppm2      2.128 CV     1
 OR {  587}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 40   and name HB2 ))
 ASSI {  595}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 30   and name HN  ))
      4.100     2.100     1.900 peak   595 spectrum    1 weight  0.10000E+01 volume  0.11406E-02 ppm1      8.983 ppm2      7.414 CV     1
 ASSI {  601}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 36   and name HN  ))
      2.200     0.600     0.600 peak   601 spectrum    1 weight  0.10000E+01 volume  0.64984E-02 ppm1      8.656 ppm2      7.434 CV     1
 ASSI {  603}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   603 spectrum    1 weight  0.10000E+01 volume  0.64310E-02 ppm1      8.658 ppm2      3.963 CV     1
 ASSI {  609}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 36   and name HB  ))
      3.000     1.100     1.100 peak   609 spectrum    1 weight  0.10000E+01 volume  0.58881E-02 ppm1      8.661 ppm2      1.969 CV     1
 ASSI {  610}
   (( segid "A   " and resid 37   and name HN  ))
   (  segid "A   " and resid 36   and name HG2%)
      2.400     0.700     0.700 peak   610 spectrum    1 weight  0.10000E+01 volume  0.99706E-02 ppm1      8.658 ppm2      0.882 CV     1
 ASSI {  614}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 39   and name HD2 ))
      2.800     1.000     1.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.43603E-02 ppm1      8.477 ppm2      3.941 CV     1
 OR {  614}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 39   and name HD3 ))
 ASSI {  615}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 39   and name HB2 ))
      2.700     0.900     0.900 peak   615 spectrum    1 weight  0.10000E+01 volume  0.46002E-02 ppm1      8.474 ppm2      2.423 CV     1
 OR {  615}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 39   and name HB3 ))
 ASSI {  620}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 41   and name HA  ))
      2.900     1.000     1.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.37289E-02 ppm1      8.635 ppm2      4.084 CV     1
 ASSI {  622}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 44   and name HD3 ))
      3.700     1.700     1.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.35353E-03 ppm1      8.432 ppm2      3.156 CV     1
 OR {  622}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 44   and name HD2 ))
 ASSI {  625}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 46   and name HA2 ))
      3.000     1.100     1.100 peak   625 spectrum    1 weight  0.10000E+01 volume  0.33334E-02 ppm1      8.223 ppm2      3.793 CV     1
 OR {  625}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 46   and name HA1 ))
 ASSI {  627}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak   627 spectrum    1 weight  0.10000E+01 volume  0.59806E-02 ppm1      7.322 ppm2      8.219 CV     1
 ASSI {  631}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 47   and name HA2 ))
      3.000     1.100     1.100 peak   631 spectrum    1 weight  0.10000E+01 volume  0.50758E-02 ppm1      7.324 ppm2      4.078 CV     1
 ASSI {  632}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 47   and name HA1 ))
      2.600     0.800     0.800 peak   632 spectrum    1 weight  0.10000E+01 volume  0.79883E-02 ppm1      7.323 ppm2      3.937 CV     1
 ASSI {  645}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 49   and name HA  ))
      4.000     2.000     2.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      8.543 ppm2      3.899 CV     1
 ASSI {  646}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 50   and name HE1 ))
      2.900     1.000     1.000 peak   646 spectrum    1 weight  0.10000E+01 volume  0.78872E-02 ppm1      8.248 ppm2      7.325 CV     1
 ASSI {  652}
   (( segid "A   " and resid 65   and name HN  ))
   (( segid "A   " and resid 64   and name HA  ))
      4.300     2.300     1.700 peak   652 spectrum    1 weight  0.10000E+01 volume  0.37880E-03 ppm1      8.284 ppm2      4.407 CV     1
 ASSI {  660}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 71   and name HD2 ))
      4.500     2.600     1.500 peak   660 spectrum    1 weight  0.10000E+01 volume  0.20624E-03 ppm1      8.100 ppm2      3.674 CV     1
 OR {  660}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 71   and name HD3 ))
 ASSI {  661}
   (( segid "A   " and resid 73   and name HN  ))
   (( segid "A   " and resid 72   and name HB  ))
      4.600     2.600     1.400 peak   661 spectrum    1 weight  0.10000E+01 volume  0.54293E-03 ppm1      8.336 ppm2      2.091 CV     1
 ASSI {  662}
   (( segid "A   " and resid 73   and name HN  ))
   (  segid "A   " and resid 72   and name HG1%)
      4.600     2.700     1.400 peak   662 spectrum    1 weight  0.10000E+01 volume  0.40825E-03 ppm1      8.329 ppm2      0.986 CV     1
 OR {  662}
   (( segid "A   " and resid 73   and name HN  ))
   (  segid "A   " and resid 72   and name HG2%)
 ASSI {  669}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak   669 spectrum    1 weight  0.10000E+01 volume  0.35227E-02 ppm1      8.166 ppm2      4.460 CV     1
 ASSI {  672}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 55   and name HA  ))
      3.200     1.300     1.300 peak   672 spectrum    1 weight  0.10000E+01 volume  0.17214E-02 ppm1      8.687 ppm2      4.152 CV     1
 ASSI {  681}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 55   and name HB3 ))
      2.400     0.700     0.700 peak   681 spectrum    1 weight  0.10000E+01 volume  0.81230E-02 ppm1      8.676 ppm2      1.757 CV     1
 OR {  681}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 55   and name HB2 ))
 ASSI {  683}
   (( segid "A   " and resid 66   and name HN  ))
   (( segid "A   " and resid 65   and name HA1 ))
      4.000     2.000     2.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.59343E-03 ppm1      8.267 ppm2      4.008 CV     1
 ASSI {  684}
   (( segid "A   " and resid 67   and name HN  ))
   (( segid "A   " and resid 66   and name HA2 ))
      4.400     2.500     1.600 peak   684 spectrum    1 weight  0.10000E+01 volume  0.40405E-03 ppm1      8.254 ppm2      4.090 CV     1
 ASSI {  695}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HA  ))
      3.600     1.600     1.600 peak   695 spectrum    1 weight  0.10000E+01 volume  0.90910E-03 ppm1      8.728 ppm2      4.493 CV     1
 ASSI {  705}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 28   and name HG  ))
      4.300     2.300     1.700 peak   705 spectrum    1 weight  0.10000E+01 volume  0.45876E-03 ppm1      8.730 ppm2      1.424 CV     1
 ASSI {  706}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 31   and name HN  ))
      4.800     2.900     1.200 peak   706 spectrum    1 weight  0.10000E+01 volume  0.30303E-03 ppm1      9.134 ppm2      8.973 CV     1
 ASSI {  713}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 41   and name HB3 ))
      3.600     1.600     1.600 peak   713 spectrum    1 weight  0.10000E+01 volume  0.94698E-03 ppm1      8.635 ppm2      1.623 CV     1
 OR {  713}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 41   and name HB2 ))
 ASSI {  715}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 41   and name HD2%)
      3.900     1.900     1.900 peak   715 spectrum    1 weight  0.10000E+01 volume  0.72812E-03 ppm1      8.635 ppm2      0.936 CV     1
 ASSI {  724}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 48   and name HN  ))
      3.400     1.500     1.500 peak   724 spectrum    1 weight  0.10000E+01 volume  0.46129E-02 ppm1      7.216 ppm2      7.358 CV     1
 ASSI {  735}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 58   and name HE21))
      5.300     3.500     0.700 peak   735 spectrum    1 weight  0.10000E+01 volume  0.11363E-03 ppm1      7.629 ppm2      7.228 CV     1
 ASSI {   14}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 19   and name HB  ))
      4.000     2.000     2.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.18225E-02 ppm1      7.880 ppm2      1.887 CV     1
 ASSI {   17}
   (( segid "A   " and resid 18   and name HN  ))
   (  segid "A   " and resid 19   and name HG2%)
      3.700     1.700     1.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.26978E-02 ppm1      7.882 ppm2      0.870 CV     1
 ASSI {   40}
   (( segid "A   " and resid 16   and name HN  ))
   (  segid "A   " and resid 17   and name HD1%)
      5.000     3.100     1.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.54293E-03 ppm1      8.168 ppm2      0.640 CV     1
 ASSI {   98}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 21   and name HN  ))
      4.500     2.500     1.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.63552E-03 ppm1      8.873 ppm2      8.060 CV     1
 ASSI {  121}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 10   and name HB3 ))
      4.200     2.200     1.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.15657E-02 ppm1      7.801 ppm2      1.742 CV     1
 OR {  121}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  153}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 58   and name HN  ))
      2.600     0.800     0.800 peak   153 spectrum    1 weight  0.10000E+01 volume  0.52778E-02 ppm1      8.338 ppm2      7.665 CV     1
 ASSI {  158}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 58   and name HG2 ))
      4.200     2.300     1.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.88385E-03 ppm1      8.338 ppm2      2.520 CV     1
 OR {  158}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 58   and name HG3 ))
 ASSI {  161}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 58   and name HB3 ))
      4.500     2.600     1.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.89226E-03 ppm1      8.339 ppm2      2.394 CV     1
 OR {  161}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 58   and name HB2 ))
 ASSI {  165}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 12   and name HN  ))
      2.300     0.700     0.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.99959E-02 ppm1      8.341 ppm2      7.935 CV     1
 ASSI {  171}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak   171 spectrum    1 weight  0.10000E+01 volume  0.50674E-02 ppm1      7.948 ppm2      8.342 CV     1
 ASSI {  189}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.80178E-02 ppm1      7.926 ppm2      8.353 CV     1
 ASSI {  220}
   (( segid "A   " and resid 44   and name HN  ))
   (  segid "A   " and resid 45   and name HD2%)
      5.200     3.400     0.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.44192E-03 ppm1      8.035 ppm2      0.637 CV     1
 ASSI {  221}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 46   and name HN  ))
      2.600     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.54293E-02 ppm1      8.431 ppm2      8.205 CV     1
 ASSI {  249}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 44   and name HG2 ))
      4.100     2.100     1.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.12795E-02 ppm1      8.263 ppm2      1.716 CV     1
 OR {  249}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 44   and name HG3 ))
 ASSI {  263}
   (( segid "A   " and resid 53   and name HN  ))
   (  segid "A   " and resid 54   and name HB% )
      3.800     1.800     1.800 peak   263 spectrum    1 weight  0.10000E+01 volume  0.26263E-02 ppm1      8.547 ppm2      1.513 CV     1
 ASSI {  284}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 50   and name HN  ))
      3.200     1.300     1.300 peak   284 spectrum    1 weight  0.10000E+01 volume  0.17634E-02 ppm1      7.212 ppm2      8.549 CV     1
 ASSI {  302}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 52   and name HN  ))
      2.300     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.80009E-02 ppm1      8.248 ppm2      8.647 CV     1
 ASSI {  313}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 52   and name HB2 ))
      5.200     3.300     0.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.39983E-03 ppm1      8.249 ppm2      1.233 CV     1
 OR {  313}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 52   and name HB3 ))
 ASSI {  314}
   (( segid "A   " and resid 51   and name HN  ))
   (  segid "A   " and resid 52   and name HD2%)
      4.400     2.400     1.600 peak   314 spectrum    1 weight  0.10000E+01 volume  0.13131E-02 ppm1      8.249 ppm2      0.866 CV     1
 ASSI {  353}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 48   and name HA  ))
      5.200     3.400     0.800 peak   353 spectrum    1 weight  0.10000E+01 volume  0.40405E-03 ppm1      8.223 ppm2      4.955 CV     1
 ASSI {  356}
   (( segid "A   " and resid 47   and name HN  ))
   (  segid "A   " and resid 48   and name HB% )
      4.500     2.500     1.500 peak   356 spectrum    1 weight  0.10000E+01 volume  0.11111E-02 ppm1      8.223 ppm2      1.406 CV     1
 ASSI {  364}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      5.200     3.300     0.800 peak   364 spectrum    1 weight  0.10000E+01 volume  0.39983E-03 ppm1      7.850 ppm2      3.660 CV     1
 ASSI {  400}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 37   and name HB2 ))
      4.300     2.300     1.700 peak   400 spectrum    1 weight  0.10000E+01 volume  0.13931E-02 ppm1      7.439 ppm2      1.647 CV     1
 OR {  400}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 37   and name HB3 ))
 ASSI {  402}
   (( segid "A   " and resid 36   and name HN  ))
   (  segid "A   " and resid 37   and name HE% )
      5.300     3.500     0.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.44192E-03 ppm1      7.449 ppm2      1.291 CV     1
 ASSI {  405}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 56   and name HN  ))
      2.600     0.800     0.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.46676E-02 ppm1      7.723 ppm2      8.682 CV     1
 ASSI {  446}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 60   and name HA  ))
      5.300     3.500     0.700 peak   446 spectrum    1 weight  0.10000E+01 volume  0.33249E-03 ppm1      7.633 ppm2      4.731 CV     1
 ASSI {  483}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak   483 spectrum    1 weight  0.10000E+01 volume  0.11174E-01 ppm1      8.834 ppm2      8.659 CV     1
 ASSI {  516}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 16   and name HN  ))
      2.100     0.500     0.500 peak   516 spectrum    1 weight  0.10000E+01 volume  0.20901E-01 ppm1      8.667 ppm2      8.184 CV     1
 ASSI {  530}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 22   and name HE3 ))
      4.200     2.200     1.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.38300E-03 ppm1      8.074 ppm2      7.110 CV     1
 ASSI {  534}
   (( segid "A   " and resid 21   and name HN  ))
   (( segid "A   " and resid 22   and name HN  ))
      3.800     1.900     1.900 peak   534 spectrum    1 weight  0.10000E+01 volume  0.16204E-02 ppm1      8.074 ppm2      8.613 CV     1
 ASSI {  541}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 25   and name HN  ))
      5.200     3.400     0.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.21465E-03 ppm1      8.656 ppm2      9.169 CV     1
 ASSI {  545}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 30   and name HN  ))
      4.800     2.900     1.200 peak   545 spectrum    1 weight  0.10000E+01 volume  0.47139E-03 ppm1      8.720 ppm2      7.389 CV     1
 ASSI {  574}
   (( segid "A   " and resid 32   and name HN  ))
   (( segid "A   " and resid 33   and name HD3 ))
      5.100     3.300     0.900 peak   574 spectrum    1 weight  0.10000E+01 volume  0.32828E-03 ppm1      9.136 ppm2      3.990 CV     1
 ASSI {  611}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 39   and name HA  ))
      4.400     2.400     1.600 peak   611 spectrum    1 weight  0.10000E+01 volume  0.50084E-03 ppm1      7.334 ppm2      4.341 CV     1
 ASSI {  616}
   (( segid "A   " and resid 40   and name HN  ))
   (  segid "A   " and resid 41   and name HD2%)
      5.500     3.800     0.500 peak   616 spectrum    1 weight  0.10000E+01 volume  0.30724E-03 ppm1      8.474 ppm2      0.957 CV     1
 OR {  616}
   (( segid "A   " and resid 40   and name HN  ))
   (  segid "A   " and resid 41   and name HD1%)
 ASSI {  618}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 43   and name HN  ))
      2.600     0.800     0.800 peak   618 spectrum    1 weight  0.10000E+01 volume  0.52609E-02 ppm1      8.635 ppm2      8.265 CV     1
 ASSI {  621}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 45   and name HA  ))
      4.400     2.400     1.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.10691E-02 ppm1      8.039 ppm2      3.870 CV     1
 ASSI {  639}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 49   and name HG2 ))
      4.000     2.000     2.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.30051E-02 ppm1      7.326 ppm2      1.610 CV     1
 OR {  639}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 49   and name HG3 ))
 ASSI {  640}
   (( segid "A   " and resid 49   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      5.500     3.800     0.500 peak   640 spectrum    1 weight  0.10000E+01 volume  0.29040E-03 ppm1      7.214 ppm2      4.327 CV     1
 ASSI {  644}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 51   and name HA  ))
      4.800     2.900     1.200 peak   644 spectrum    1 weight  0.10000E+01 volume  0.55135E-03 ppm1      8.544 ppm2      4.147 CV     1
 ASSI {  659}
   (( segid "A   " and resid 72   and name HN  ))
   (( segid "A   " and resid 73   and name HN  ))
      4.000     2.000     2.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.79967E-03 ppm1      8.094 ppm2      8.342 CV     1
 ASSI {  665}
   (( segid "A   " and resid 8    and name HN  ))
   (  segid "A   " and resid 9    and name HB% )
      3.200     1.200     1.200 peak   665 spectrum    1 weight  0.10000E+01 volume  0.97349E-02 ppm1      8.459 ppm2      1.525 CV     1
 ASSI {  673}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 10   and name HN  ))
      2.300     0.700     0.700 peak   673 spectrum    1 weight  0.10000E+01 volume  0.98990E-02 ppm1      7.803 ppm2      7.943 CV     1
 ASSI {  675}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 58   and name HA  ))
      5.000     3.100     1.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.50084E-03 ppm1      8.337 ppm2      4.338 CV     1
 ASSI {  677}
   (( segid "A   " and resid 44   and name HN  ))
   (  segid "A   " and resid 45   and name HD1%)
      5.200     3.400     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.32408E-03 ppm1      8.041 ppm2      0.410 CV     1
 ASSI {  729}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 55   and name HB2 ))
      4.900     3.000     1.100 peak   729 spectrum    1 weight  0.10000E+01 volume  0.57661E-03 ppm1      7.365 ppm2      1.707 CV     1
 OR {  729}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 55   and name HB3 ))
 ASSI {    7}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 29   and name HD3 ))
      4.100     2.100     1.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.68951E-03 ppm1     10.665 ppm2      2.885 CV     1
 OR {    7}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 29   and name HD2 ))
 ASSI {    8}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 24   and name HG2 ))
      3.800     1.800     1.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.13096E-02 ppm1     10.665 ppm2      2.329 CV     1
 OR {    8}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 24   and name HG3 ))
 ASSI {    9}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 24   and name HB2 ))
      3.400     1.400     1.400 peak     9 spectrum    1 weight  0.10000E+01 volume  0.16986E-02 ppm1     10.665 ppm2      1.884 CV     1
 OR {    9}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 24   and name HB3 ))
 ASSI {   10}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 29   and name HG2 ))
      3.800     1.800     1.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.79719E-03 ppm1     10.665 ppm2      1.109 CV     1
 OR {   10}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 29   and name HG3 ))
 ASSI {   12}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 29   and name HB2 ))
      4.400     2.400     1.600 peak    12 spectrum    1 weight  0.10000E+01 volume  0.31263E-03 ppm1     10.662 ppm2      0.263 CV     1
 OR {   12}
   (( segid "A   " and resid 22   and name HE1 ))
   (( segid "A   " and resid 29   and name HB3 ))
 ASSI {   42}
   (( segid "A   " and resid 16   and name HN  ))
   (  segid "A   " and resid 19   and name HG2%)
      4.500     2.600     1.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.71035E-03 ppm1      8.171 ppm2      0.882 CV     1
 ASSI {   52}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 19   and name HB  ))
      4.600     2.700     1.400 peak    52 spectrum    1 weight  0.10000E+01 volume  0.90487E-03 ppm1      8.827 ppm2      1.903 CV     1
 ASSI {   55}
   (( segid "A   " and resid 14   and name HN  ))
   (  segid "A   " and resid 19   and name HG2%)
      4.200     2.200     1.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.13877E-02 ppm1      8.830 ppm2      0.879 CV     1
 ASSI {   56}
   (( segid "A   " and resid 14   and name HN  ))
   (  segid "A   " and resid 17   and name HD1%)
      5.100     3.200     0.900 peak    56 spectrum    1 weight  0.10000E+01 volume  0.29699E-03 ppm1      8.828 ppm2      0.636 CV     1
 ASSI {   90}
   (( segid "A   " and resid 20   and name HN  ))
   (  segid "A   " and resid 32   and name HB% )
      4.200     2.300     1.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.61482E-03 ppm1      8.875 ppm2      1.505 CV     1
 ASSI {   92}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 31   and name HB3 ))
      3.900     1.900     1.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.47935E-03 ppm1      8.876 ppm2      2.280 CV     1
 OR {   92}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 31   and name HB2 ))
 ASSI {   96}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 32   and name HA  ))
      3.900     1.900     1.900 peak    96 spectrum    1 weight  0.10000E+01 volume  0.65304E-03 ppm1      8.874 ppm2      5.215 CV     1
 ASSI {  100}
   (( segid "A   " and resid 20   and name HN  ))
   (  segid "A   " and resid 30   and name HD% )
      5.600     3.900     0.400 peak   100 spectrum    1 weight  0.10000E+01 volume  0.10073E-03 ppm1      8.872 ppm2      6.754 CV     1
 ASSI {  104}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 29   and name HG2 ))
      4.900     3.100     1.100 peak   104 spectrum    1 weight  0.10000E+01 volume  0.34909E-03 ppm1      8.644 ppm2      1.105 CV     1
 OR {  104}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 29   and name HG3 ))
 ASSI {  132}
   (( segid "A   " and resid 8    and name HN  ))
   (  segid "A   " and resid 11   and name HD1%)
      4.600     2.600     1.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.90314E-03 ppm1      8.464 ppm2      0.881 CV     1
 ASSI {  176}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 13   and name HB3 ))
      5.200     3.400     0.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.21363E-03 ppm1      7.947 ppm2      3.315 CV     1
 OR {  176}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 13   and name HB2 ))
 ASSI {  203}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 33   and name HD3 ))
      4.500     2.500     1.500 peak   203 spectrum    1 weight  0.10000E+01 volume  0.31088E-03 ppm1      7.845 ppm2      3.996 CV     1
 ASSI {  233}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 48   and name HN  ))
      5.200     3.400     0.800 peak   233 spectrum    1 weight  0.10000E+01 volume  0.33173E-03 ppm1      8.199 ppm2      7.307 CV     1
 ASSI {  266}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 45   and name HD1%)
      5.800     4.200     0.200 peak   266 spectrum    1 weight  0.10000E+01 volume  0.15805E-03 ppm1      8.632 ppm2      0.396 CV     1
 ASSI {  272}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 55   and name HN  ))
      4.700     2.800     1.300 peak   272 spectrum    1 weight  0.10000E+01 volume  0.22058E-03 ppm1      8.549 ppm2      7.723 CV     1
 ASSI {  293}
   (( segid "A   " and resid 49   and name HN  ))
   (  segid "A   " and resid 52   and name HD1%)
      3.800     1.800     1.800 peak   293 spectrum    1 weight  0.10000E+01 volume  0.10438E-02 ppm1      7.213 ppm2      0.843 CV     1
 ASSI {  301}
   (( segid "A   " and resid 50   and name HN  ))
   (  segid "A   " and resid 52   and name HD1%)
      4.700     2.700     1.300 peak   301 spectrum    1 weight  0.10000E+01 volume  0.46025E-03 ppm1      8.548 ppm2      0.835 CV     1
 ASSI {  380}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 41   and name HA  ))
      5.000     3.100     1.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.44114E-03 ppm1      7.336 ppm2      4.101 CV     1
 ASSI {  387}
   (( segid "A   " and resid 38   and name HN  ))
   (  segid "A   " and resid 41   and name HD2%)
      3.400     1.500     1.500 peak   387 spectrum    1 weight  0.10000E+01 volume  0.17976E-02 ppm1      7.336 ppm2      0.933 CV     1
 ASSI {  390}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 41   and name HN  ))
      4.100     2.100     1.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.58704E-03 ppm1      7.335 ppm2      7.852 CV     1
 ASSI {  391}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 54   and name HN  ))
      3.900     1.900     1.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.88577E-03 ppm1      8.658 ppm2      7.337 CV     1
 ASSI {  406}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 57   and name HN  ))
      4.300     2.300     1.700 peak   406 spectrum    1 weight  0.10000E+01 volume  0.45330E-03 ppm1      7.722 ppm2      8.338 CV     1
 ASSI {  427}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      4.600     2.700     1.400 peak   427 spectrum    1 weight  0.10000E+01 volume  0.38383E-03 ppm1      8.608 ppm2      5.856 CV     1
 ASSI {  428}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
      5.300     3.500     0.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.20842E-03 ppm1      8.607 ppm2      4.504 CV     1
 ASSI {  431}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 29   and name HB2 ))
      5.100     3.200     0.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.10594E-03 ppm1      8.608 ppm2     -0.453 CV     1
 OR {  431}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 29   and name HB3 ))
 ASSI {  438}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
      3.500     3.500     2.500 peak   438 spectrum    1 weight  0.10000E+01 volume  0.24368E-02 ppm1      8.550 ppm2      1.555 CV     1
 OR {  438}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 56   and name HB3 ))
 ASSI {  490}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 55   and name HB2 ))
      3.100     3.100     2.900 peak   490 spectrum    1 weight  0.10000E+01 volume  0.40971E-02 ppm1      8.660 ppm2      1.822 CV     1
 OR {  490}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 55   and name HB3 ))
 ASSI {  499}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 29   and name HD3 ))
      5.000     3.100     1.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.13199E-03 ppm1      8.642 ppm2      2.876 CV     1
 OR {  499}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 29   and name HD2 ))
 ASSI {  512}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak   512 spectrum    1 weight  0.10000E+01 volume  0.12314E-02 ppm1      7.922 ppm2      8.658 CV     1
 ASSI {  514}
   (( segid "A   " and resid 13   and name HN  ))
   (( segid "A   " and resid 15   and name HN  ))
      4.000     2.000     2.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.79025E-03 ppm1      8.367 ppm2      8.649 CV     1
 ASSI {  519}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 58   and name HE22))
      5.200     3.300     0.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.11289E-03 ppm1      7.891 ppm2      6.762 CV     1
 ASSI {  522}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 58   and name HE21))
      4.500     2.500     1.500 peak   522 spectrum    1 weight  0.10000E+01 volume  0.44636E-03 ppm1      7.849 ppm2      7.184 CV     1
 ASSI {  523}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 32   and name HA  ))
      6.000     5.000     0.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.71209E-04 ppm1      7.854 ppm2      5.240 CV     1
 ASSI {  524}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 33   and name HD2 ))
      5.000     3.200     1.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.17195E-03 ppm1      7.844 ppm2      3.261 CV     1
 ASSI {  526}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 30   and name HA  ))
      5.800     4.200     0.200 peak   526 spectrum    1 weight  0.10000E+01 volume  0.13894E-03 ppm1      8.876 ppm2      5.867 CV     1
 ASSI {  527}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 31   and name HG2 ))
      5.400     3.700     0.600 peak   527 spectrum    1 weight  0.10000E+01 volume  0.12678E-03 ppm1      8.869 ppm2      2.529 CV     1
 OR {  527}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 31   and name HG3 ))
 ASSI {  537}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.12331E-03 ppm1      8.599 ppm2      2.817 CV     1
 OR {  537}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 30   and name HB3 ))
 ASSI {  539}
   (( segid "A   " and resid 23   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
      5.100     3.300     0.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.28657E-03 ppm1      8.544 ppm2      4.547 CV     1
 ASSI {  542}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 28   and name HA  ))
      3.000     1.100     1.100 peak   542 spectrum    1 weight  0.10000E+01 volume  0.30464E-02 ppm1      8.646 ppm2      4.513 CV     1
 ASSI {  543}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 26   and name HA  ))
      4.800     2.900     1.200 peak   543 spectrum    1 weight  0.10000E+01 volume  0.23273E-03 ppm1      8.640 ppm2      4.263 CV     1
 ASSI {  591}
   (( segid "A   " and resid 23   and name HN  ))
   (  segid "A   " and resid 56   and name HD2%)
      3.200     1.300     1.300 peak   591 spectrum    1 weight  0.10000E+01 volume  0.23186E-02 ppm1      8.552 ppm2      0.749 CV     1
 ASSI {  637}
   (( segid "A   " and resid 48   and name HN  ))
   (  segid "A   " and resid 52   and name HD1%)
      3.700     1.700     1.700 peak   637 spectrum    1 weight  0.10000E+01 volume  0.11810E-02 ppm1      7.323 ppm2      0.852 CV     1
 ASSI {  664}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 10   and name HN  ))
      5.100     3.200     0.900 peak   664 spectrum    1 weight  0.10000E+01 volume  0.22926E-03 ppm1      8.466 ppm2      7.936 CV     1
 ASSI {  666}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 11   and name HN  ))
      4.500     2.600     1.500 peak   666 spectrum    1 weight  0.10000E+01 volume  0.40641E-03 ppm1      7.804 ppm2      8.343 CV     1
 ASSI {  682}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 55   and name HN  ))
      4.700     2.700     1.300 peak   682 spectrum    1 weight  0.10000E+01 volume  0.26052E-03 ppm1      8.667 ppm2      7.717 CV     1
 ASSI {  698}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 17   and name HG  ))
      4.600     2.700     1.400 peak   698 spectrum    1 weight  0.10000E+01 volume  0.31436E-03 ppm1      8.831 ppm2      1.549 CV     1
 ASSI {  701}
   (( segid "A   " and resid 20   and name HN  ))
   (( segid "A   " and resid 31   and name HA  ))
      6.000     4.600     0.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.67735E-04 ppm1      8.881 ppm2      4.731 CV     1
 ASSI {  702}
   (( segid "A   " and resid 22   and name HN  ))
   (( segid "A   " and resid 30   and name HN  ))
      6.000     6.000     0.000 peak   702 spectrum    1 weight  0.10000E+01 volume  0.24315E-04 ppm1      8.603 ppm2      7.429 CV     1
 ASSI {  716}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 45   and name HN  ))
      4.900     3.000     1.100 peak   716 spectrum    1 weight  0.10000E+01 volume  0.24836E-03 ppm1      8.266 ppm2      8.421 CV     1
 ASSI {  721}
   (( segid "A   " and resid 46   and name HN  ))
   (  segid "A   " and resid 48   and name HB% )
      6.000     5.900     0.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.62525E-04 ppm1      8.203 ppm2      1.431 CV     1
 ASSI {  727}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 53   and name HB  ))
      5.000     3.200     1.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.21537E-03 ppm1      8.246 ppm2      1.856 CV     1
 ASSI {  728}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 56   and name HN  ))
      4.900     3.000     1.100 peak   728 spectrum    1 weight  0.10000E+01 volume  0.20668E-03 ppm1      7.366 ppm2      8.666 CV     1
 ASSI {  733}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 60   and name HN  ))
      4.400     2.400     1.600 peak   733 spectrum    1 weight  0.10000E+01 volume  0.57140E-03 ppm1      7.664 ppm2      7.529 CV     1
 ASSI {   22}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 16   and name HN  ))
      4.500     2.600     1.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.43593E-03 ppm1      7.881 ppm2      8.157 CV     1
 ASSI {   25}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 14   and name HA  ))
      3.600     1.600     1.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.86840E-03 ppm1      7.332 ppm2      3.750 CV     1
 ASSI {   34}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 14   and name HN  ))
      4.800     2.900     1.200 peak    34 spectrum    1 weight  0.10000E+01 volume  0.26920E-03 ppm1      8.170 ppm2      8.820 CV     1
 ASSI {   36}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 13   and name HA  ))
      2.900     1.000     1.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.35518E-02 ppm1      8.170 ppm2      4.431 CV     1
 ASSI {   39}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 14   and name HA  ))
      4.600     2.600     1.400 peak    39 spectrum    1 weight  0.10000E+01 volume  0.32304E-03 ppm1      8.169 ppm2      3.756 CV     1
 ASSI {   45}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 12   and name HN  ))
      4.500     2.500     1.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.37167E-03 ppm1      8.828 ppm2      7.924 CV     1
 ASSI {   48}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 10   and name HA  ))
      3.700     1.700     1.700 peak    48 spectrum    1 weight  0.10000E+01 volume  0.76072E-03 ppm1      8.830 ppm2      4.185 CV     1
 ASSI {   49}
   (( segid "A   " and resid 14   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak    49 spectrum    1 weight  0.10000E+01 volume  0.78330E-03 ppm1      8.829 ppm2      3.890 CV     1
 ASSI {   63}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 21   and name HA  ))
      3.800     1.800     1.800 peak    63 spectrum    1 weight  0.10000E+01 volume  0.62525E-03 ppm1      8.982 ppm2      5.603 CV     1
 ASSI {   65}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 19   and name HA  ))
      5.000     3.100     1.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.23447E-03 ppm1      8.979 ppm2      4.260 CV     1
 ASSI {   70}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 21   and name HG  ))
      4.000     2.000     2.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.42552E-03 ppm1      8.980 ppm2      1.704 CV     1
 ASSI {   71}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 21   and name HB3 ))
      3.600     1.600     1.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.36646E-03 ppm1      8.985 ppm2      1.513 CV     1
 OR {   71}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 21   and name HB2 ))
 ASSI {   72}
   (( segid "A   " and resid 31   and name HN  ))
   (  segid "A   " and resid 21   and name HD1%)
      3.500     1.600     1.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.14051E-02 ppm1      8.982 ppm2      0.869 CV     1
 ASSI {   74}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 22   and name HE3 ))
      4.700     2.800     1.300 peak    74 spectrum    1 weight  0.10000E+01 volume  0.34909E-03 ppm1      8.980 ppm2      7.109 CV     1
 ASSI {   83}
   (( segid "A   " and resid 32   and name HN  ))
   (  segid "A   " and resid 30   and name HD% )
      5.100     3.200     0.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.15631E-03 ppm1      9.135 ppm2      6.754 CV     1
 ASSI {   89}
   (( segid "A   " and resid 32   and name HN  ))
   (  segid "A   " and resid 19   and name HG2%)
      5.700     4.000     0.300 peak    89 spectrum    1 weight  0.10000E+01 volume  0.18932E-03 ppm1      9.131 ppm2      0.880 CV     1
 ASSI {  117}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 6    and name HA  ))
      4.200     2.200     1.800 peak   117 spectrum    1 weight  0.10000E+01 volume  0.44114E-03 ppm1      7.800 ppm2      4.494 CV     1
 ASSI {  149}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 56   and name HB3 ))
      3.300     3.300     2.700 peak   149 spectrum    1 weight  0.10000E+01 volume  0.64088E-03 ppm1      7.666 ppm2      1.552 CV     1
 OR {  149}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
 ASSI {  150}
   (( segid "A   " and resid 58   and name HN  ))
   (  segid "A   " and resid 56   and name HD1%)
      3.900     1.900     1.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.10317E-02 ppm1      7.665 ppm2      0.953 CV     1
 ASSI {  151}
   (( segid "A   " and resid 58   and name HN  ))
   (( segid "A   " and resid 56   and name HN  ))
      4.900     3.000     1.100 peak   151 spectrum    1 weight  0.10000E+01 volume  0.21883E-03 ppm1      7.661 ppm2      8.683 CV     1
 ASSI {  155}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 53   and name HA  ))
      4.300     2.300     1.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.32825E-03 ppm1      8.336 ppm2      3.515 CV     1
 ASSI {  167}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 8    and name HA1 ))
      3.700     1.700     1.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.71382E-03 ppm1      8.341 ppm2      3.561 CV     1
 ASSI {  172}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 6    and name HA  ))
      3.900     1.900     1.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.24663E-03 ppm1      7.949 ppm2      4.499 CV     1
 ASSI {  174}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 8    and name HA2 ))
      4.000     2.000     2.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.13425E-02 ppm1      7.946 ppm2      3.832 CV     1
 ASSI {  175}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 8    and name HA1 ))
      4.800     2.900     1.200 peak   175 spectrum    1 weight  0.10000E+01 volume  0.26747E-03 ppm1      7.949 ppm2      3.569 CV     1
 ASSI {  187}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 8    and name HA1 ))
      4.100     2.100     1.900 peak   187 spectrum    1 weight  0.10000E+01 volume  0.40120E-03 ppm1      7.926 ppm2      3.567 CV     1
 ASSI {  195}
   (( segid "A   " and resid 72   and name HN  ))
   (  segid "A   " and resid 70   and name HB% )
      5.100     3.200     0.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.18757E-03 ppm1      8.097 ppm2      1.404 CV     1
 ASSI {  198}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 15   and name HN  ))
      4.000     2.000     2.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.21015E-03 ppm1      7.841 ppm2      8.660 CV     1
 ASSI {  199}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.28310E-03 ppm1      7.843 ppm2      8.194 CV     1
 ASSI {  200}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 17   and name HN  ))
      4.200     2.200     1.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.83019E-03 ppm1      7.845 ppm2      7.326 CV     1
 ASSI {  201}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 15   and name HA  ))
      3.500     1.500     1.500 peak   201 spectrum    1 weight  0.10000E+01 volume  0.11220E-02 ppm1      7.847 ppm2      4.485 CV     1
 ASSI {  206}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 17   and name HB2 ))
      3.300     1.400     1.400 peak   206 spectrum    1 weight  0.10000E+01 volume  0.14554E-02 ppm1      7.847 ppm2      1.617 CV     1
 OR {  206}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 17   and name HB3 ))
 ASSI {  208}
   (( segid "A   " and resid 19   and name HN  ))
   (  segid "A   " and resid 17   and name HD1%)
      5.400     3.700     0.600 peak   208 spectrum    1 weight  0.10000E+01 volume  0.26747E-03 ppm1      7.843 ppm2      0.647 CV     1
 ASSI {  209}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 42   and name HN  ))
      4.500     2.500     1.500 peak   209 spectrum    1 weight  0.10000E+01 volume  0.35778E-03 ppm1      8.036 ppm2      8.620 CV     1
 ASSI {  214}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      4.500     2.500     1.500 peak   214 spectrum    1 weight  0.10000E+01 volume  0.31783E-03 ppm1      8.036 ppm2      3.652 CV     1
 ASSI {  216}
   (( segid "A   " and resid 44   and name HN  ))
   (( segid "A   " and resid 42   and name HG3 ))
      4.600     2.600     1.400 peak   216 spectrum    1 weight  0.10000E+01 volume  0.31436E-03 ppm1      8.041 ppm2      2.279 CV     1
 ASSI {  223}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
      4.800     2.900     1.200 peak   223 spectrum    1 weight  0.10000E+01 volume  0.21189E-03 ppm1      8.431 ppm2      4.276 CV     1
 ASSI {  226}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 42   and name HA  ))
      3.800     1.800     1.800 peak   226 spectrum    1 weight  0.10000E+01 volume  0.65999E-03 ppm1      8.432 ppm2      3.656 CV     1
 ASSI {  234}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
      3.500     1.500     1.500 peak   234 spectrum    1 weight  0.10000E+01 volume  0.10751E-02 ppm1      8.196 ppm2      4.308 CV     1
 ASSI {  237}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 44   and name HG2 ))
      3.300     3.300     2.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.69993E-03 ppm1      8.197 ppm2      1.956 CV     1
 OR {  237}
   (( segid "A   " and resid 46   and name HN  ))
   (( segid "A   " and resid 44   and name HG3 ))
 ASSI {  245}
   (( segid "A   " and resid 43   and name HN  ))
   (( segid "A   " and resid 41   and name HN  ))
      4.400     2.400     1.600 peak   245 spectrum    1 weight  0.10000E+01 volume  0.49847E-03 ppm1      8.263 ppm2      7.861 CV     1
 ASSI {  252}
   (( segid "A   " and resid 43   and name HN  ))
   (  segid "A   " and resid 41   and name HD2%)
      4.600     2.600     1.400 peak   252 spectrum    1 weight  0.10000E+01 volume  0.46025E-03 ppm1      8.265 ppm2      0.929 CV     1
 ASSI {  256}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 38   and name HA  ))
      3.300     3.300     2.700 peak   256 spectrum    1 weight  0.10000E+01 volume  0.60441E-03 ppm1      8.638 ppm2      4.730 CV     1
 ASSI {  257}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 39   and name HA  ))
      3.600     1.600     1.600 peak   257 spectrum    1 weight  0.10000E+01 volume  0.10265E-02 ppm1      8.635 ppm2      4.299 CV     1
 ASSI {  267}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      3.900     1.900     1.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.56794E-03 ppm1      8.548 ppm2      4.328 CV     1
 ASSI {  269}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 49   and name HA  ))
      4.200     2.200     1.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.41163E-03 ppm1      8.546 ppm2      3.901 CV     1
 ASSI {  273}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 51   and name HN  ))
      3.900     1.900     1.900 peak   273 spectrum    1 weight  0.10000E+01 volume  0.79893E-03 ppm1      8.547 ppm2      8.259 CV     1
 ASSI {  275}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 51   and name HN  ))
      3.700     1.700     1.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.33173E-03 ppm1      7.365 ppm2      8.272 CV     1
 ASSI {  277}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 50   and name HA  ))
      4.400     2.500     1.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.40120E-03 ppm1      7.364 ppm2      4.327 CV     1
 ASSI {  280}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 50   and name HB2 ))
      3.900     1.900     1.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.24315E-03 ppm1      7.362 ppm2      3.201 CV     1
 OR {  280}
   (( segid "A   " and resid 54   and name HN  ))
   (( segid "A   " and resid 50   and name HB3 ))
 ASSI {  283}
   (( segid "A   " and resid 54   and name HN  ))
   (  segid "A   " and resid 52   and name HD2%)
      3.700     3.700     2.300 peak   283 spectrum    1 weight  0.10000E+01 volume  0.25687E-02 ppm1      7.363 ppm2      0.877 CV     1
 ASSI {  304}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 49   and name HN  ))
      4.600     2.600     1.400 peak   304 spectrum    1 weight  0.10000E+01 volume  0.31088E-03 ppm1      8.246 ppm2      7.222 CV     1
 ASSI {  305}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 48   and name HA  ))
      5.100     3.200     0.900 peak   305 spectrum    1 weight  0.10000E+01 volume  0.31610E-03 ppm1      8.246 ppm2      4.949 CV     1
 ASSI {  312}
   (( segid "A   " and resid 51   and name HN  ))
   (  segid "A   " and resid 48   and name HB% )
      3.600     1.700     1.700 peak   312 spectrum    1 weight  0.10000E+01 volume  0.81976E-03 ppm1      8.247 ppm2      1.412 CV     1
 ASSI {  316}
   (( segid "A   " and resid 58   and name HE21))
   (( segid "A   " and resid 15   and name HA  ))
      5.400     3.700     0.600 peak   316 spectrum    1 weight  0.10000E+01 volume  0.16326E-03 ppm1      7.182 ppm2      4.480 CV     1
 ASSI {  318}
   (( segid "A   " and resid 58   and name HE22))
   (( segid "A   " and resid 15   and name HA  ))
      4.500     2.600     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.19973E-03 ppm1      6.761 ppm2      4.481 CV     1
 ASSI {  322}
   (( segid "A   " and resid 58   and name HE22))
   (( segid "A   " and resid 19   and name HN  ))
      4.700     2.700     1.300 peak   322 spectrum    1 weight  0.10000E+01 volume  0.16152E-03 ppm1      6.762 ppm2      7.863 CV     1
 ASSI {  329}
   (( segid "A   " and resid 58   and name HE21))
   (( segid "A   " and resid 56   and name HB2 ))
      3.800     3.800     2.200 peak   329 spectrum    1 weight  0.10000E+01 volume  0.29005E-03 ppm1      7.183 ppm2      1.916 CV     1
 OR {  329}
   (( segid "A   " and resid 58   and name HE21))
   (( segid "A   " and resid 56   and name HB3 ))
 ASSI {  331}
   (( segid "A   " and resid 58   and name HE21))
   (  segid "A   " and resid 15   and name HB% )
      5.200     3.400     0.800 peak   331 spectrum    1 weight  0.10000E+01 volume  0.19973E-03 ppm1      7.176 ppm2      1.553 CV     1
 ASSI {  332}
   (( segid "A   " and resid 58   and name HE22))
   (  segid "A   " and resid 15   and name HB% )
      5.200     3.300     0.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.16152E-03 ppm1      6.764 ppm2      1.552 CV     1
 ASSI {  342}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 24   and name HN  ))
      3.300     1.400     1.400 peak   342 spectrum    1 weight  0.10000E+01 volume  0.12436E-02 ppm1      7.985 ppm2      8.648 CV     1
 ASSI {  345}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 25   and name HA1 ))
      5.400     3.700     0.600 peak   345 spectrum    1 weight  0.10000E+01 volume  0.76940E-03 ppm1      7.987 ppm2      4.021 CV     1
 ASSI {  346}
   (( segid "A   " and resid 27   and name HN  ))
   (( segid "A   " and resid 25   and name HA2 ))
      5.100     3.300     0.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.42899E-03 ppm1      7.987 ppm2      3.745 CV     1
 ASSI {  351}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 43   and name HA  ))
      3.100     3.100     2.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.10090E-02 ppm1      8.222 ppm2      4.274 CV     1
 ASSI {  355}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 45   and name HB3 ))
      4.200     2.200     1.800 peak   355 spectrum    1 weight  0.10000E+01 volume  0.31610E-03 ppm1      8.214 ppm2      1.746 CV     1
 OR {  355}
   (( segid "A   " and resid 47   and name HN  ))
   (( segid "A   " and resid 45   and name HB2 ))
 ASSI {  362}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 39   and name HA  ))
      4.600     2.600     1.400 peak   362 spectrum    1 weight  0.10000E+01 volume  0.30047E-03 ppm1      7.850 ppm2      4.275 CV     1
 ASSI {  370}
   (( segid "A   " and resid 40   and name HN  ))
   (( segid "A   " and resid 38   and name HN  ))
      5.100     3.300     0.900 peak   370 spectrum    1 weight  0.10000E+01 volume  0.19800E-03 ppm1      8.479 ppm2      7.324 CV     1
 ASSI {  378}
   (( segid "A   " and resid 40   and name HN  ))
   (  segid "A   " and resid 38   and name HG2%)
      3.600     1.600     1.600 peak   378 spectrum    1 weight  0.10000E+01 volume  0.36646E-03 ppm1      8.479 ppm2      1.381 CV     1
 ASSI {  381}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 36   and name HA  ))
      3.700     1.800     1.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.67215E-03 ppm1      7.337 ppm2      3.945 CV     1
 ASSI {  384}
   (( segid "A   " and resid 38   and name HN  ))
   (( segid "A   " and resid 36   and name HB  ))
      3.400     1.400     1.400 peak   384 spectrum    1 weight  0.10000E+01 volume  0.20755E-02 ppm1      7.336 ppm2      1.995 CV     1
 ASSI {  394}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 34   and name HA  ))
      4.400     2.400     1.600 peak   394 spectrum    1 weight  0.10000E+01 volume  0.52798E-03 ppm1      7.441 ppm2      4.385 CV     1
 ASSI {  398}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 33   and name HD2 ))
      6.000     5.100     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.29352E-03 ppm1      7.438 ppm2      3.261 CV     1
 ASSI {  401}
   (( segid "A   " and resid 36   and name HN  ))
   (  segid "A   " and resid 32   and name HB% )
      4.400     2.400     1.600 peak   401 spectrum    1 weight  0.10000E+01 volume  0.11793E-02 ppm1      7.439 ppm2      1.506 CV     1
 ASSI {  408}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 53   and name HA  ))
      4.800     2.900     1.200 peak   408 spectrum    1 weight  0.10000E+01 volume  0.22926E-03 ppm1      7.725 ppm2      3.520 CV     1
 ASSI {  411}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 52   and name HB3 ))
      5.200     3.400     0.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.14068E-03 ppm1      7.722 ppm2      1.226 CV     1
 ASSI {  416}
   (( segid "A   " and resid 56   and name HN  ))
   (( segid "A   " and resid 53   and name HA  ))
      3.900     1.900     1.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.57315E-03 ppm1      8.685 ppm2      3.515 CV     1
 ASSI {  440}
   (( segid "A   " and resid 59   and name HN  ))
   (  segid "A   " and resid 56   and name HD1%)
      3.300     1.300     1.300 peak   440 spectrum    1 weight  0.10000E+01 volume  0.17716E-02 ppm1      7.631 ppm2      0.969 CV     1
 ASSI {  442}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 57   and name HB3 ))
      2.300     2.300     3.700 peak   442 spectrum    1 weight  0.10000E+01 volume  0.54431E-02 ppm1      7.631 ppm2      1.934 CV     1
 OR {  442}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 57   and name HB2 ))
 ASSI {  443}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 56   and name HB2 ))
      3.500     1.500     1.500 peak   443 spectrum    1 weight  0.10000E+01 volume  0.45330E-03 ppm1      7.629 ppm2      1.569 CV     1
 OR {  443}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 56   and name HB3 ))
 ASSI {  447}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 20   and name HA  ))
      3.200     3.200     2.800 peak   447 spectrum    1 weight  0.10000E+01 volume  0.78156E-03 ppm1      7.633 ppm2      5.055 CV     1
 ASSI {  448}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 57   and name HN  ))
      5.000     3.200     1.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.17541E-03 ppm1      7.633 ppm2      8.345 CV     1
 ASSI {  476}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 27   and name HB3 ))
      4.300     2.300     1.700 peak   476 spectrum    1 weight  0.10000E+01 volume  0.39772E-03 ppm1      8.727 ppm2      1.891 CV     1
 ASSI {  486}
   (( segid "A   " and resid 15   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      3.300     1.400     1.400 peak   486 spectrum    1 weight  0.10000E+01 volume  0.15684E-02 ppm1      8.661 ppm2      3.904 CV     1
 ASSI {  487}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 50   and name HB2 ))
      4.800     2.900     1.200 peak   487 spectrum    1 weight  0.10000E+01 volume  0.45157E-03 ppm1      8.661 ppm2      3.227 CV     1
 OR {  487}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 50   and name HB3 ))
 ASSI {  500}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 22   and name HD1 ))
      5.500     3.800     0.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.10248E-03 ppm1      8.642 ppm2      6.992 CV     1
 ASSI {  503}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 22   and name HH2 ))
      3.600     1.600     1.600 peak   503 spectrum    1 weight  0.10000E+01 volume  0.23308E-02 ppm1      8.985 ppm2      6.914 CV     1
 ASSI {  505}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 14   and name HN  ))
      5.600     3.900     0.400 peak   505 spectrum    1 weight  0.10000E+01 volume  0.92051E-04 ppm1      7.331 ppm2      8.826 CV     1
 ASSI {  506}
   (( segid "A   " and resid 17   and name HN  ))
   (( segid "A   " and resid 15   and name HN  ))
      5.000     3.200     1.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.20842E-03 ppm1      7.331 ppm2      8.664 CV     1
 ASSI {  508}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 7    and name HA  ))
      3.700     1.700     1.700 peak   508 spectrum    1 weight  0.10000E+01 volume  0.10525E-02 ppm1      7.800 ppm2      4.062 CV     1
 ASSI {  517}
   (( segid "A   " and resid 16   and name HN  ))
   (( segid "A   " and resid 13   and name HB2 ))
      5.800     4.200     0.200 peak   517 spectrum    1 weight  0.10000E+01 volume  0.14242E-03 ppm1      8.174 ppm2      3.323 CV     1
 ASSI {  518}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 15   and name HN  ))
      5.400     3.700     0.600 peak   518 spectrum    1 weight  0.10000E+01 volume  0.13721E-03 ppm1      7.878 ppm2      8.663 CV     1
 ASSI {  520}
   (( segid "A   " and resid 18   and name HN  ))
   (( segid "A   " and resid 15   and name HA  ))
      3.700     1.800     1.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.65824E-03 ppm1      7.881 ppm2      4.460 CV     1
 ASSI {  554}
   (( segid "A   " and resid 60   and name HE21))
   (( segid "A   " and resid 57   and name HA  ))
      4.600     2.600     1.400 peak   554 spectrum    1 weight  0.10000E+01 volume  0.17541E-03 ppm1      7.581 ppm2      4.105 CV     1
 ASSI {  555}
   (( segid "A   " and resid 60   and name HE22))
   (( segid "A   " and resid 57   and name HA  ))
      4.400     2.400     1.600 peak   555 spectrum    1 weight  0.10000E+01 volume  0.11810E-03 ppm1      6.982 ppm2      4.096 CV     1
 ASSI {  565}
   (( segid "A   " and resid 58   and name HE21))
   (( segid "A   " and resid 18   and name HN  ))
      5.800     4.300     0.200 peak   565 spectrum    1 weight  0.10000E+01 volume  0.11289E-03 ppm1      7.183 ppm2      7.890 CV     1
 ASSI {  566}
   (( segid "A   " and resid 58   and name HE21))
   (( segid "A   " and resid 18   and name HA2 ))
      4.200     2.200     1.800 peak   566 spectrum    1 weight  0.10000E+01 volume  0.14242E-03 ppm1      7.183 ppm2      3.717 CV     1
 ASSI {  567}
   (( segid "A   " and resid 58   and name HE22))
   (( segid "A   " and resid 18   and name HA2 ))
      4.200     2.200     1.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.14763E-03 ppm1      6.765 ppm2      3.729 CV     1
 ASSI {  568}
   (( segid "A   " and resid 58   and name HE21))
   (  segid "A   " and resid 19   and name HG2%)
      4.100     2.100     1.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.17716E-03 ppm1      7.190 ppm2      0.879 CV     1
 ASSI {  569}
   (( segid "A   " and resid 58   and name HE22))
   (  segid "A   " and resid 19   and name HG2%)
      4.300     2.400     1.700 peak   569 spectrum    1 weight  0.10000E+01 volume  0.12331E-03 ppm1      6.772 ppm2      0.890 CV     1
 ASSI {  575}
   (( segid "A   " and resid 57   and name HN  ))
   (( segid "A   " and resid 54   and name HN  ))
      5.300     3.500     0.700 peak   575 spectrum    1 weight  0.10000E+01 volume  0.14242E-03 ppm1      8.337 ppm2      7.368 CV     1
 ASSI {  576}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 20   and name HB3 ))
      2.600     2.600     3.400 peak   576 spectrum    1 weight  0.10000E+01 volume  0.29821E-02 ppm1      7.635 ppm2      2.023 CV     1
 ASSI {  589}
   (( segid "A   " and resid 19   and name HN  ))
   (  segid "A   " and resid 14   and name HB% )
      3.500     1.600     1.600 peak   589 spectrum    1 weight  0.10000E+01 volume  0.17507E-02 ppm1      7.849 ppm2      1.432 CV     1
 ASSI {  597}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 20   and name HB2 ))
      3.600     1.600     1.600 peak   597 spectrum    1 weight  0.10000E+01 volume  0.12939E-02 ppm1      8.979 ppm2      2.119 CV     1
 OR {  597}
   (( segid "A   " and resid 31   and name HN  ))
   (( segid "A   " and resid 20   and name HB3 ))
 ASSI {  598}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 34   and name HG2 ))
      2.500     2.500     3.500 peak   598 spectrum    1 weight  0.10000E+01 volume  0.34232E-02 ppm1      7.442 ppm2      2.204 CV     1
 OR {  598}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 34   and name HG3 ))
 ASSI {  604}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 35   and name HA1 ))
      4.800     2.800     1.200 peak   604 spectrum    1 weight  0.10000E+01 volume  0.35952E-03 ppm1      8.658 ppm2      3.793 CV     1
 ASSI {  605}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 35   and name HA2 ))
      5.400     3.600     0.600 peak   605 spectrum    1 weight  0.10000E+01 volume  0.36994E-03 ppm1      8.661 ppm2      4.242 CV     1
 ASSI {  606}
   (( segid "A   " and resid 37   and name HN  ))
   (( segid "A   " and resid 33   and name HD2 ))
      3.900     1.900     1.900 peak   606 spectrum    1 weight  0.10000E+01 volume  0.24836E-03 ppm1      8.655 ppm2      3.246 CV     1
 ASSI {  617}
   (( segid "A   " and resid 41   and name HN  ))
   (  segid "A   " and resid 38   and name HG2%)
      3.100     3.100     2.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.10212E-02 ppm1      7.849 ppm2      1.373 CV     1
 ASSI {  619}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 38   and name HN  ))
      3.200     3.200     2.800 peak   619 spectrum    1 weight  0.10000E+01 volume  0.73988E-03 ppm1      8.628 ppm2      7.314 CV     1
 ASSI {  635}
   (( segid "A   " and resid 48   and name HN  ))
   (( segid "A   " and resid 45   and name HB3 ))
      3.900     1.900     1.900 peak   635 spectrum    1 weight  0.10000E+01 volume  0.69993E-03 ppm1      7.323 ppm2      1.758 CV     1
 ASSI {  643}
   (( segid "A   " and resid 50   and name HN  ))
   (( segid "A   " and resid 48   and name HA  ))
      5.300     3.500     0.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.35257E-03 ppm1      8.538 ppm2      4.965 CV     1
 ASSI {  648}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 50   and name HB3 ))
      5.400     3.600     0.600 peak   648 spectrum    1 weight  0.10000E+01 volume  0.21710E-03 ppm1      8.552 ppm2      3.223 CV     1
 OR {  648}
   (( segid "A   " and resid 53   and name HN  ))
   (( segid "A   " and resid 50   and name HB2 ))
 ASSI {  649}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 7    and name HA  ))
      3.300     1.300     1.300 peak   649 spectrum    1 weight  0.10000E+01 volume  0.17698E-02 ppm1      7.955 ppm2      4.075 CV     1
 ASSI {  668}
   (( segid "A   " and resid 29   and name HN  ))
   (( segid "A   " and resid 23   and name HA  ))
      3.500     1.600     1.600 peak   668 spectrum    1 weight  0.10000E+01 volume  0.12383E-02 ppm1      8.732 ppm2      4.727 CV     1
 ASSI {  671}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 10   and name HA  ))
      3.600     1.700     1.700 peak   671 spectrum    1 weight  0.10000E+01 volume  0.10699E-02 ppm1      7.926 ppm2      4.186 CV     1
 ASSI {  674}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 38   and name HA  ))
      3.500     1.500     1.500 peak   674 spectrum    1 weight  0.10000E+01 volume  0.13686E-02 ppm1      7.852 ppm2      4.736 CV     1
 ASSI {  678}
   (( segid "A   " and resid 19   and name HN  ))
   (( segid "A   " and resid 17   and name HG  ))
      2.800     2.800     3.200 peak   678 spectrum    1 weight  0.10000E+01 volume  0.16778E-02 ppm1      7.850 ppm2      1.531 CV     1
 ASSI {  697}
   (( segid "A   " and resid 12   and name HN  ))
   (( segid "A   " and resid 8    and name HA2 ))
      5.500     3.700     0.500 peak   697 spectrum    1 weight  0.10000E+01 volume  0.17020E-03 ppm1      7.931 ppm2      3.807 CV     1
 ASSI {  699}
   (( segid "A   " and resid 52   and name HN  ))
   (( segid "A   " and resid 50   and name HE1 ))
      4.600     2.600     1.400 peak   699 spectrum    1 weight  0.10000E+01 volume  0.90314E-04 ppm1      8.654 ppm2      7.236 CV     1
 ASSI {  700}
   (( segid "A   " and resid 15   and name HN  ))
   (  segid "A   " and resid 11   and name HD2%)
      5.100     3.300     0.900 peak   700 spectrum    1 weight  0.10000E+01 volume  0.12853E-03 ppm1      8.663 ppm2      0.660 CV     1
 ASSI {  704}
   (( segid "A   " and resid 24   and name HN  ))
   (( segid "A   " and resid 22   and name HE1 ))
      6.000     6.000     0.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.31263E-04 ppm1      8.650 ppm2     10.653 CV     1
 ASSI {  707}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 34   and name HB2 ))
      4.700     2.800     1.300 peak   707 spectrum    1 weight  0.10000E+01 volume  0.74683E-04 ppm1      7.443 ppm2      2.356 CV     1
 OR {  707}
   (( segid "A   " and resid 36   and name HN  ))
   (( segid "A   " and resid 34   and name HB3 ))
 ASSI {  709}
   (( segid "A   " and resid 41   and name HN  ))
   (( segid "A   " and resid 39   and name HD2 ))
      5.200     3.400     0.800 peak   709 spectrum    1 weight  0.10000E+01 volume  0.12853E-03 ppm1      7.853 ppm2      3.941 CV     1
 ASSI {  710}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 39   and name HD2 ))
      4.600     2.700     1.400 peak   710 spectrum    1 weight  0.10000E+01 volume  0.86840E-04 ppm1      8.635 ppm2      3.917 CV     1
 OR {  710}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 39   and name HD3 ))
 ASSI {  711}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 37   and name HG3 ))
      5.600     3.900     0.400 peak   711 spectrum    1 weight  0.10000E+01 volume  0.72946E-04 ppm1      8.637 ppm2      2.491 CV     1
 ASSI {  712}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 39   and name HB3 ))
      3.800     1.800     1.800 peak   712 spectrum    1 weight  0.10000E+01 volume  0.69993E-03 ppm1      8.636 ppm2      1.967 CV     1
 OR {  712}
   (( segid "A   " and resid 42   and name HN  ))
   (( segid "A   " and resid 39   and name HB2 ))
 ASSI {  714}
   (( segid "A   " and resid 42   and name HN  ))
   (  segid "A   " and resid 37   and name HE% )
      6.000     4.500     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.97263E-04 ppm1      8.636 ppm2      1.282 CV     1
 ASSI {  717}
   (( segid "A   " and resid 44   and name HN  ))
   (  segid "A   " and resid 41   and name HD1%)
      3.800     1.800     1.800 peak   717 spectrum    1 weight  0.10000E+01 volume  0.25705E-03 ppm1      8.040 ppm2      0.963 CV     1
 ASSI {  718}
   (( segid "A   " and resid 45   and name HN  ))
   (( segid "A   " and resid 42   and name HN  ))
      4.800     2.900     1.200 peak   718 spectrum    1 weight  0.10000E+01 volume  0.20321E-03 ppm1      8.433 ppm2      8.638 CV     1
 ASSI {  726}
   (( segid "A   " and resid 51   and name HN  ))
   (( segid "A   " and resid 49   and name HA  ))
      5.000     3.200     1.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.17889E-03 ppm1      8.228 ppm2      3.872 CV     1
 ASSI {  731}
   (( segid "A   " and resid 55   and name HN  ))
   (( segid "A   " and resid 51   and name HG3 ))
      5.800     4.300     0.200 peak   731 spectrum    1 weight  0.10000E+01 volume  0.43420E-04 ppm1      7.719 ppm2      2.377 CV     1
 ASSI {  734}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 56   and name HN  ))
      5.200     3.300     0.800 peak   734 spectrum    1 weight  0.10000E+01 volume  0.43420E-04 ppm1      7.615 ppm2      8.654 CV     1
 ASSI {  736}
   (( segid "A   " and resid 59   and name HN  ))
   (( segid "A   " and resid 57   and name HA  ))
      4.800     2.900     1.200 peak   736 spectrum    1 weight  0.10000E+01 volume  0.18410E-03 ppm1      7.629 ppm2      4.119 CV     1
 ASSI {  737}
   (( segid "A   " and resid 59   and name HN  ))
   (  segid "A   " and resid 56   and name HD2%)
      5.500     3.800     0.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.29526E-04 ppm1      7.631 ppm2      0.745 CV     1
 ASSI {   50}
   (  segid "A   " and resid 30   and name HE% )
   (  segid "B   " and resid 30   and name HD% )
      5.000     3.100     1.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.53073E-05 ppm1      7.233 ppm2      6.754 CV     1
 ASSI {   51}
   (  segid "A   " and resid 30   and name HD% )
   (  segid "B   " and resid 30   and name HE% )
      4.900     3.000     1.100 peak    51 spectrum    1 weight  0.10000E+01 volume  0.48424E-05 ppm1      6.760 ppm2      7.234 CV     1
 ASSI {   55}
   (  segid "A   " and resid 30   and name HD% )
   (  segid "B   " and resid 21   and name HD1%)
      5.100     3.200     0.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.61518E-05 ppm1      6.753 ppm2      0.867 CV     1
 ASSI {   77}
   (( segid "A   " and resid 21   and name HG  ))
   (( segid "B   " and resid 30   and name HB2 ))
      5.700     4.100     0.300 peak    77 spectrum    1 weight  0.10000E+01 volume  0.34013E-05 ppm1      1.698 ppm2      2.779 CV     1
 OR {   77}
   (( segid "A   " and resid 21   and name HG  ))
   (( segid "B   " and resid 30   and name HB3 ))
 ASSI {   78}
   (  segid "A   " and resid 21   and name HD1%)
   (( segid "B   " and resid 30   and name HB3 ))
      5.700     4.000     0.300 peak    78 spectrum    1 weight  0.10000E+01 volume  0.45170E-05 ppm1      0.876 ppm2      2.779 CV     1
 OR {   78}
   (  segid "A   " and resid 21   and name HD1%)
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {   79}
   (  segid "A   " and resid 30   and name HE% )
   (  segid "B   " and resid 21   and name HD2%)
      5.300     3.500     0.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.28977E-05 ppm1      7.252 ppm2      0.871 CV     1
 ASSI {   80}
   (  segid "A   " and resid 30   and name HD% )
   (( segid "B   " and resid 29   and name HA  ))
      5.200     3.400     0.800 peak    80 spectrum    1 weight  0.10000E+01 volume  0.28977E-05 ppm1      7.252 ppm2      0.871 CV     1
 ASSI {  101}
   (  segid "A   " and resid 28   and name HD1%)
   (( segid "B   " and resid 27   and name HG3 ))
      3.700     1.700     1.700 peak   101 spectrum    1 weight  0.10000E+01 volume  0.12985E-04 ppm1      0.825 ppm2      1.610 CV     1
 OR {  101}
   (  segid "A   " and resid 28   and name HD1%)
   (( segid "B   " and resid 27   and name HG2 ))
 ASSI {  103}
   (( segid "A   " and resid 27   and name HD2 ))
   (  segid "B   " and resid 52   and name HD1%)
      3.900     1.900     1.900 peak   103 spectrum    1 weight  0.10000E+01 volume  0.82826E-05 ppm1      3.196 ppm2      0.903 CV     1
 OR {  103}
   (( segid "A   " and resid 27   and name HD3 ))
   (  segid "B   " and resid 52   and name HD1%)
 ASSI {  105}
   (( segid "A   " and resid 27   and name HB2 ))
   (  segid "B   " and resid 52   and name HD1%)
      4.800     2.900     1.200 peak   105 spectrum    1 weight  0.10000E+01 volume  0.37965E-05 ppm1      1.742 ppm2      0.862 CV     1
 ASSI {  106}
   (( segid "A   " and resid 27   and name HD2 ))
   (( segid "B   " and resid 49   and name HB3 ))
      4.100     2.100     1.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.72908E-05 ppm1      3.188 ppm2      1.949 CV     1
 OR {  106}
   (( segid "A   " and resid 27   and name HD3 ))
   (( segid "B   " and resid 49   and name HB3 ))
 OR {  106}
   (( segid "A   " and resid 27   and name HD2 ))
   (( segid "B   " and resid 49   and name HB2 ))
 ASSI {  107}
   (( segid "A   " and resid 27   and name HG2 ))
   (  segid "B   " and resid 52   and name HD1%)
      3.800     1.800     1.800 peak   107 spectrum    1 weight  0.10000E+01 volume  0.90031E-05 ppm1      1.613 ppm2      0.870 CV     1
 OR {  107}
   (( segid "A   " and resid 27   and name HG3 ))
   (  segid "B   " and resid 52   and name HD1%)
 ASSI {  109}
   (( segid "A   " and resid 49   and name HB3 ))
   (( segid "B   " and resid 27   and name HD2 ))
      3.800     1.800     1.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.60822E-05 ppm1      1.968 ppm2      3.168 CV     1
 OR {  109}
   (( segid "A   " and resid 49   and name HB2 ))
   (( segid "B   " and resid 27   and name HD2 ))
 OR {  109}
   (( segid "A   " and resid 49   and name HB3 ))
   (( segid "B   " and resid 27   and name HD3 ))
 ASSI {  110}
   (( segid "A   " and resid 49   and name HD2 ))
   (( segid "B   " and resid 27   and name HG2 ))
      4.500     2.500     1.500 peak   110 spectrum    1 weight  0.10000E+01 volume  0.46411E-05 ppm1      3.332 ppm2      1.624 CV     1
 OR {  110}
   (( segid "A   " and resid 49   and name HD3 ))
   (( segid "B   " and resid 27   and name HG2 ))
 OR {  110}
   (( segid "A   " and resid 49   and name HD3 ))
   (( segid "B   " and resid 27   and name HG3 ))
 ASSI {  111}
   (  segid "A   " and resid 52   and name HD1%)
   (( segid "B   " and resid 27   and name HG2 ))
      3.300     1.300     1.300 peak   111 spectrum    1 weight  0.10000E+01 volume  0.22252E-04 ppm1      0.870 ppm2      1.587 CV     1
 OR {  111}
   (  segid "A   " and resid 52   and name HD1%)
   (( segid "B   " and resid 27   and name HG3 ))
 ASSI {  111}
   (  segid "A   " and resid 52   and name HD1%)
   (( segid "B   " and resid 27   and name HD2 ))
      3.900     1.900     1.900 peak   111 spectrum    1 weight  0.10000E+01 volume  0.83212E-05 ppm1      0.876 ppm2      3.182 CV     1
 OR {  111}
   (  segid "A   " and resid 52   and name HD1%)
   (( segid "B   " and resid 27   and name HD3 ))
!Hbonds for tubC

!Helix 1: G8 to S16

!8-12
assign (resid 8 and name O and segid A)(resid 12 and name N and segid A ) 0.0 0.0 3.3
assign (resid 8 and name O and segid A)(resid 12 and name HN and segid A ) 0.0 0.0 2.3
 
!9-13
assign (resid 9 and name O and segid A)(resid 13 and name N and segid A ) 0.0 0.0 3.3
assign (resid 9 and name O and segid A)(resid 13 and name HN and segid A ) 0.0 0.0 2.3
 
!10-14
assign (resid 10 and name O and segid A)(resid 14 and name N and segid A ) 0.0 0.0 3.3
assign (resid 10 and name O and segid A)(resid 14 and name HN and segid A ) 0.0 0.0 2.3
 
!11-15
assign (resid 11 and name O and segid A)(resid 15 and name N and segid A ) 0.0 0.0 3.3
assign (resid 11 and name O and segid A)(resid 15 and name HN and segid A ) 0.0 0.0 2.3

!12-16
assign (resid 12 and name O and segid A)(resid 16 and name N and segid A ) 0.0 0.0 3.3
assign (resid 12 and name O and segid A)(resid 16 and name HN and segid A ) 0.0 0.0 2.3

!Strand 1: V19 to E24 and Strand 2: R27 to P33

!20-31
assign (resid 20 and name O and segid A)(resid 31 and name N and segid A ) 0.0 0.0 3.3
assign (resid 20 and name O and segid A)(resid 31 and name HN and segid A ) 0.0 0.0 2.3

!31-20
assign (resid 31 and name O and segid A)(resid 20 and name N and segid A ) 0.0 0.0 3.3
assign (resid 31 and name O and segid A)(resid 20 and name HN and segid A ) 0.0 0.0 2.3

!22-29
assign (resid 22 and name O and segid A)(resid 29 and name N and segid A ) 0.0 0.0 3.3
assign (resid 22 and name O and segid A)(resid 29 and name HN and segid A ) 0.0 0.0 2.3

!29-22
assign (resid 29 and name O and segid A)(resid 22 and name N and segid A ) 0.0 0.0 3.3
assign (resid 29 and name O and segid A)(resid 22 and name HN and segid A ) 0.0 0.0 2.3

!24-27
assign (resid 24 and name O and segid A)(resid 27 and name N and segid A ) 0.0 0.0 3.3
assign (resid 24 and name O and segid A)(resid 27 and name HN and segid A ) 0.0 0.0 2.3

!27-24
assign (resid 27 and name O and segid A)(resid 24 and name N and segid A ) 0.0 0.0 3.3
assign (resid 27 and name O and segid A)(resid 24 and name HN and segid A ) 0.0 0.0 2.3

!Helix 2: P39 to L45

!39-43
assign (resid 39 and name O and segid A)(resid 43 and name N and segid A ) 0.0 0.0 3.3
assign (resid 39 and name O and segid A)(resid 43 and name HN and segid A ) 0.0 0.0 2.3

!40-44
assign (resid 40 and name O and segid A)(resid 44 and name N and segid A ) 0.0 0.0 3.3
assign (resid 40 and name O and segid A)(resid 44 and name HN and segid A ) 0.0 0.0 2.3

!41-45
assign (resid 41 and name O and segid A)(resid 45 and name N and segid A ) 0.0 0.0 3.3
assign (resid 41 and name O and segid A)(resid 45 and name HN and segid A ) 0.0 0.0 2.3

!Helix 3: R49 to Q58

!49-53
assign (resid 49 and name O and segid A)(resid 53 and name N and segid A ) 0.0 0.0 3.3
assign (resid 49 and name O and segid A)(resid 53 and name HN and segid A ) 0.0 0.0 2.3

!50-54
assign (resid 50 and name O and segid A)(resid 54 and name N and segid A ) 0.0 0.0 3.3
assign (resid 50 and name O and segid A)(resid 54 and name HN and segid A ) 0.0 0.0 2.3

!51-55
assign (resid 51 and name O and segid A)(resid 55 and name N and segid A ) 0.0 0.0 3.3
assign (resid 51 and name O and segid A)(resid 55 and name HN and segid A ) 0.0 0.0 2.3

!52-56
assign (resid 52 and name O and segid A)(resid 56 and name N and segid A ) 0.0 0.0 3.3
assign (resid 52 and name O and segid A)(resid 56 and name HN and segid A ) 0.0 0.0 2.3

!53-57
assign (resid 53 and name O and segid A)(resid 57 and name N and segid A ) 0.0 0.0 3.3
assign (resid 53 and name O and segid A)(resid 57 and name HN and segid A ) 0.0 0.0 2.3

!54-58
assign (resid 54 and name O and segid A)(resid 58 and name N and segid A ) 0.0 0.0 3.3
assign (resid 54 and name O and segid A)(resid 58 and name HN and segid A ) 0.0 0.0 2.3

!Hbonds for tubC

!Helix 1: G8 to S16

!8-12
assign (resid 8 and name O and segid B)(resid 12 and name N and segid B ) 0.0 0.0 3.3
assign (resid 8 and name O and segid B)(resid 12 and name HN and segid B ) 0.0 0.0 2.3
 
!9-13
assign (resid 9 and name O and segid B)(resid 13 and name N and segid B ) 0.0 0.0 3.3
assign (resid 9 and name O and segid B)(resid 13 and name HN and segid B ) 0.0 0.0 2.3
 
!10-14
assign (resid 10 and name O and segid B)(resid 14 and name N and segid B ) 0.0 0.0 3.3
assign (resid 10 and name O and segid B)(resid 14 and name HN and segid B ) 0.0 0.0 2.3
 
!11-15
assign (resid 11 and name O and segid B)(resid 15 and name N and segid B ) 0.0 0.0 3.3
assign (resid 11 and name O and segid B)(resid 15 and name HN and segid B ) 0.0 0.0 2.3

!12-16
assign (resid 12 and name O and segid B)(resid 16 and name N and segid B ) 0.0 0.0 3.3
assign (resid 12 and name O and segid B)(resid 16 and name HN and segid B ) 0.0 0.0 2.3

!Strand 1: V19 to E24 and Strand 2: R27 to P33

!20-31
assign (resid 20 and name O and segid B)(resid 31 and name N and segid B ) 0.0 0.0 3.3
assign (resid 20 and name O and segid B)(resid 31 and name HN and segid B ) 0.0 0.0 2.3

!31-20
assign (resid 31 and name O and segid B)(resid 20 and name N and segid B ) 0.0 0.0 3.3
assign (resid 31 and name O and segid B)(resid 20 and name HN and segid B ) 0.0 0.0 2.3

!22-29
assign (resid 22 and name O and segid B)(resid 29 and name N and segid B ) 0.0 0.0 3.3
assign (resid 22 and name O and segid B)(resid 29 and name HN and segid B ) 0.0 0.0 2.3

!29-22
assign (resid 29 and name O and segid B)(resid 22 and name N and segid B ) 0.0 0.0 3.3
assign (resid 29 and name O and segid B)(resid 22 and name HN and segid B ) 0.0 0.0 2.3

!24-27
assign (resid 24 and name O and segid B)(resid 27 and name N and segid B ) 0.0 0.0 3.3
assign (resid 24 and name O and segid B)(resid 27 and name HN and segid B ) 0.0 0.0 2.3

!27-24
assign (resid 27 and name O and segid B)(resid 24 and name N and segid B ) 0.0 0.0 3.3
assign (resid 27 and name O and segid B)(resid 24 and name HN and segid B ) 0.0 0.0 2.3

!Helix 2: P39 to L45

!39-43
assign (resid 39 and name O and segid B)(resid 43 and name N and segid B ) 0.0 0.0 3.3
assign (resid 39 and name O and segid B)(resid 43 and name HN and segid B ) 0.0 0.0 2.3

!40-44
assign (resid 40 and name O and segid B)(resid 44 and name N and segid B ) 0.0 0.0 3.3
assign (resid 40 and name O and segid B)(resid 44 and name HN and segid B ) 0.0 0.0 2.3

!41-45
assign (resid 41 and name O and segid B)(resid 45 and name N and segid B ) 0.0 0.0 3.3
assign (resid 41 and name O and segid B)(resid 45 and name HN and segid B ) 0.0 0.0 2.3

!Helix 3: R49 to Q58

!49-53
assign (resid 49 and name O and segid B)(resid 53 and name N and segid B ) 0.0 0.0 3.3
assign (resid 49 and name O and segid B)(resid 53 and name HN and segid B ) 0.0 0.0 2.3

!50-54
assign (resid 50 and name O and segid B)(resid 54 and name N and segid B ) 0.0 0.0 3.3
assign (resid 50 and name O and segid B)(resid 54 and name HN and segid B ) 0.0 0.0 2.3

!51-55
assign (resid 51 and name O and segid B)(resid 55 and name N and segid B ) 0.0 0.0 3.3
assign (resid 51 and name O and segid B)(resid 55 and name HN and segid B ) 0.0 0.0 2.3

!52-56
assign (resid 52 and name O and segid B)(resid 56 and name N and segid B ) 0.0 0.0 3.3
assign (resid 52 and name O and segid B)(resid 56 and name HN and segid B ) 0.0 0.0 2.3

!53-57
assign (resid 53 and name O and segid B)(resid 57 and name N and segid B ) 0.0 0.0 3.3
assign (resid 53 and name O and segid B)(resid 57 and name HN and segid B ) 0.0 0.0 2.3

!54-58
assign (resid 54 and name O and segid B)(resid 58 and name N and segid B ) 0.0 0.0 3.3
assign (resid 54 and name O and segid B)(resid 58 and name HN and segid B ) 0.0 0.0 2.3
assign (resid   7 and name C and segid A) (resid   8 and name N and segid A) (resid   8 and name CA and segid A) (resid   8 and name C and segid A) 1.0 -64  16 2
assign (resid   8 and name C and segid A) (resid   9 and name N and segid A) (resid   9 and name CA and segid A) (resid   9 and name C and segid A) 1.0 -65   8 2
assign (resid   9 and name C and segid A) (resid  10 and name N and segid A) (resid  10 and name CA and segid A) (resid  10 and name C and segid A) 1.0 -66  12 2
assign (resid  10 and name C and segid A) (resid  11 and name N and segid A) (resid  11 and name CA and segid A) (resid  11 and name C and segid A) 1.0 -63  14 2
assign (resid  11 and name C and segid A) (resid  12 and name N and segid A) (resid  12 and name CA and segid A) (resid  12 and name C and segid A) 1.0 -62   6 2
assign (resid  12 and name C and segid A) (resid  13 and name N and segid A) (resid  13 and name CA and segid A) (resid  13 and name C and segid A) 1.0 -65  12 2
assign (resid  13 and name C and segid A) (resid  14 and name N and segid A) (resid  14 and name CA and segid A) (resid  14 and name C and segid A) 1.0 -63  20 2
assign (resid  14 and name C and segid A) (resid  15 and name N and segid A) (resid  15 and name CA and segid A) (resid  15 and name C and segid A) 1.0 -65  10 2
assign (resid  15 and name C and segid A) (resid  16 and name N and segid A) (resid  16 and name CA and segid A) (resid  16 and name C and segid A) 1.0 -67  16 2
assign (resid  16 and name C and segid A) (resid  17 and name N and segid A) (resid  17 and name CA and segid A) (resid  17 and name C and segid A) 1.0 -88  16 2
assign (resid  17 and name C and segid A) (resid  18 and name N and segid A) (resid  18 and name CA and segid A) (resid  18 and name C and segid A) 1.0 160 182 2
assign (resid  18 and name C and segid A) (resid  19 and name N and segid A) (resid  19 and name CA and segid A) (resid  19 and name C and segid A) 1.0 -94  32 2
assign (resid  19 and name C and segid A) (resid  20 and name N and segid A) (resid  20 and name CA and segid A) (resid  20 and name C and segid A) 1.0 -98  32 2
assign (resid  20 and name C and segid A) (resid  21 and name N and segid A) (resid  21 and name CA and segid A) (resid  21 and name C and segid A) 1.0 -132  30 2
assign (resid  21 and name C and segid A) (resid  22 and name N and segid A) (resid  22 and name CA and segid A) (resid  22 and name C and segid A) 1.0 -146  56 2
assign (resid  22 and name C and segid A) (resid  23 and name N and segid A) (resid  23 and name CA and segid A) (resid  23 and name C and segid A) 1.0 -115  36 2
assign (resid  23 and name C and segid A) (resid  24 and name N and segid A) (resid  24 and name CA and segid A) (resid  24 and name C and segid A) 1.0 -121  40 2
assign (resid  24 and name C and segid A) (resid  25 and name N and segid A) (resid  25 and name CA and segid A) (resid  25 and name C and segid A) 1.0  52  92 2
assign (resid  25 and name C and segid A) (resid  26 and name N and segid A) (resid  26 and name CA and segid A) (resid  26 and name C and segid A) 1.0 -100  16 2
assign (resid  26 and name C and segid A) (resid  27 and name N and segid A) (resid  27 and name CA and segid A) (resid  27 and name C and segid A) 1.0 -111  54 2
assign (resid  27 and name C and segid A) (resid  28 and name N and segid A) (resid  28 and name CA and segid A) (resid  28 and name C and segid A) 1.0 -109  44 2
assign (resid  28 and name C and segid A) (resid  29 and name N and segid A) (resid  29 and name CA and segid A) (resid  29 and name C and segid A) 1.0 -116  36 2
assign (resid  29 and name C and segid A) (resid  30 and name N and segid A) (resid  30 and name CA and segid A) (resid  30 and name C and segid A) 1.0 -130  28 2
assign (resid  30 and name C and segid A) (resid  31 and name N and segid A) (resid  31 and name CA and segid A) (resid  31 and name C and segid A) 1.0 -127  26 2
assign (resid  31 and name C and segid A) (resid  32 and name N and segid A) (resid  32 and name CA and segid A) (resid  32 and name C and segid A) 1.0 -117  38 2
assign (resid  32 and name C and segid A) (resid  33 and name N and segid A) (resid  33 and name CA and segid A) (resid  33 and name C and segid A) 1.0 -68  16 2
assign (resid  33 and name C and segid A) (resid  34 and name N and segid A) (resid  34 and name CA and segid A) (resid  34 and name C and segid A) 1.0 -63  10 2
assign (resid  34 and name C and segid A) (resid  35 and name N and segid A) (resid  35 and name CA and segid A) (resid  35 and name C and segid A) 1.0  83  28 2
assign (resid  35 and name C and segid A) (resid  36 and name N and segid A) (resid  36 and name CA and segid A) (resid  36 and name C and segid A) 1.0 -77  41 2
assign (resid  36 and name C and segid A) (resid  37 and name N and segid A) (resid  37 and name CA and segid A) (resid  37 and name C and segid A) 1.0 -105  22 2
assign (resid  37 and name C and segid A) (resid  38 and name N and segid A) (resid  38 and name CA and segid A) (resid  38 and name C and segid A) 1.0 -100  49 2
assign (resid  38 and name C and segid A) (resid  39 and name N and segid A) (resid  39 and name CA and segid A) (resid  39 and name C and segid A) 1.0 -56  13 2
assign (resid  39 and name C and segid A) (resid  40 and name N and segid A) (resid  40 and name CA and segid A) (resid  40 and name C and segid A) 1.0 -64   8 2
assign (resid  40 and name C and segid A) (resid  41 and name N and segid A) (resid  41 and name CA and segid A) (resid  41 and name C and segid A) 1.0 -66  15 2
assign (resid  41 and name C and segid A) (resid  42 and name N and segid A) (resid  42 and name CA and segid A) (resid  42 and name C and segid A) 1.0 -63   6 2
assign (resid  42 and name C and segid A) (resid  43 and name N and segid A) (resid  43 and name CA and segid A) (resid  43 and name C and segid A) 1.0 -65   7 2
assign (resid  43 and name C and segid A) (resid  44 and name N and segid A) (resid  44 and name CA and segid A) (resid  44 and name C and segid A) 1.0 -66  11 2
assign (resid  44 and name C and segid A) (resid  45 and name N and segid A) (resid  45 and name CA and segid A) (resid  45 and name C and segid A) 1.0 -64  11 2
assign (resid  45 and name C and segid A) (resid  46 and name N and segid A) (resid  46 and name CA and segid A) (resid  46 and name C and segid A) 1.0  95   9 2
assign (resid  46 and name C and segid A) (resid  47 and name N and segid A) (resid  47 and name CA and segid A) (resid  47 and name C and segid A) 1.0  92  24 2
assign (resid  47 and name C and segid A) (resid  48 and name N and segid A) (resid  48 and name CA and segid A) (resid  48 and name C and segid A) 1.0 -97  58 2
assign (resid  48 and name C and segid A) (resid  49 and name N and segid A) (resid  49 and name CA and segid A) (resid  49 and name C and segid A) 1.0 -61   7 2
assign (resid  49 and name C and segid A) (resid  50 and name N and segid A) (resid  50 and name CA and segid A) (resid  50 and name C and segid A) 1.0 -63   8 2
assign (resid  50 and name C and segid A) (resid  51 and name N and segid A) (resid  51 and name CA and segid A) (resid  51 and name C and segid A) 1.0 -66   8 2
assign (resid  51 and name C and segid A) (resid  52 and name N and segid A) (resid  52 and name CA and segid A) (resid  52 and name C and segid A) 1.0 -67  13 2
assign (resid  52 and name C and segid A) (resid  53 and name N and segid A) (resid  53 and name CA and segid A) (resid  53 and name C and segid A) 1.0 -64   9 2
assign (resid  53 and name C and segid A) (resid  54 and name N and segid A) (resid  54 and name CA and segid A) (resid  54 and name C and segid A) 1.0 -60   8 2
assign (resid  54 and name C and segid A) (resid  55 and name N and segid A) (resid  55 and name CA and segid A) (resid  55 and name C and segid A) 1.0 -63   8 2
assign (resid  55 and name C and segid A) (resid  56 and name N and segid A) (resid  56 and name CA and segid A) (resid  56 and name C and segid A) 1.0 -65  14 2
assign (resid  56 and name C and segid A) (resid  57 and name N and segid A) (resid  57 and name CA and segid A) (resid  57 and name C and segid A) 1.0 -62  11 2
assign (resid  57 and name C and segid A) (resid  58 and name N and segid A) (resid  58 and name CA and segid A) (resid  58 and name C and segid A) 1.0 -72  23 2
assign (resid  58 and name C and segid A) (resid  59 and name N and segid A) (resid  59 and name CA and segid A) (resid  59 and name C and segid A) 1.0 -95  22 2
assign (resid  59 and name C and segid A) (resid  60 and name N and segid A) (resid  60 and name CA and segid A) (resid  60 and name C and segid A) 1.0 -104  52 2
assign (resid   8 and name N and segid A) (resid   8 and name CA and segid A) (resid   8 and name C and segid A) (resid   9 and name N and segid A) 1.0 -43  16 2
assign (resid   9 and name N and segid A) (resid   9 and name CA and segid A) (resid   9 and name C and segid A) (resid  10 and name N and segid A) 1.0 -38  10 2
assign (resid  10 and name N and segid A) (resid  10 and name CA and segid A) (resid  10 and name C and segid A) (resid  11 and name N and segid A) 1.0 -40   6 2
assign (resid  11 and name N and segid A) (resid  11 and name CA and segid A) (resid  11 and name C and segid A) (resid  12 and name N and segid A) 1.0 -41  14 2
assign (resid  12 and name N and segid A) (resid  12 and name CA and segid A) (resid  12 and name C and segid A) (resid  13 and name N and segid A) 1.0 -41  12 2
assign (resid  13 and name N and segid A) (resid  13 and name CA and segid A) (resid  13 and name C and segid A) (resid  14 and name N and segid A) 1.0 -45  16 2
assign (resid  14 and name N and segid A) (resid  14 and name CA and segid A) (resid  14 and name C and segid A) (resid  15 and name N and segid A) 1.0 -41   8 2
assign (resid  15 and name N and segid A) (resid  15 and name CA and segid A) (resid  15 and name C and segid A) (resid  16 and name N and segid A) 1.0 -37  12 2
assign (resid  16 and name N and segid A) (resid  16 and name CA and segid A) (resid  16 and name C and segid A) (resid  17 and name N and segid A) 1.0 -26  32 2
assign (resid  17 and name N and segid A) (resid  17 and name CA and segid A) (resid  17 and name C and segid A) (resid  18 and name N and segid A) 1.0   2  26 2
assign (resid  18 and name N and segid A) (resid  18 and name CA and segid A) (resid  18 and name C and segid A) (resid  19 and name N and segid A) 1.0   7 206 2
assign (resid  19 and name N and segid A) (resid  19 and name CA and segid A) (resid  19 and name C and segid A) (resid  20 and name N and segid A) 1.0 131  26 2
assign (resid  20 and name N and segid A) (resid  20 and name CA and segid A) (resid  20 and name C and segid A) (resid  21 and name N and segid A) 1.0 126  26 2
assign (resid  21 and name N and segid A) (resid  21 and name CA and segid A) (resid  21 and name C and segid A) (resid  22 and name N and segid A) 1.0 155  30 2
assign (resid  22 and name N and segid A) (resid  22 and name CA and segid A) (resid  22 and name C and segid A) (resid  23 and name N and segid A) 1.0 156  38 2
assign (resid  23 and name N and segid A) (resid  23 and name CA and segid A) (resid  23 and name C and segid A) (resid  24 and name N and segid A) 1.0 136  20 2
assign (resid  24 and name N and segid A) (resid  24 and name CA and segid A) (resid  24 and name C and segid A) (resid  25 and name N and segid A) 1.0 119  32 2
assign (resid  25 and name N and segid A) (resid  25 and name CA and segid A) (resid  25 and name C and segid A) (resid  26 and name N and segid A) 1.0 -109  70 2
assign (resid  26 and name N and segid A) (resid  26 and name CA and segid A) (resid  26 and name C and segid A) (resid  27 and name N and segid A) 1.0  -3  28 2
assign (resid  27 and name N and segid A) (resid  27 and name CA and segid A) (resid  27 and name C and segid A) (resid  28 and name N and segid A) 1.0 139  54 2
assign (resid  28 and name N and segid A) (resid  28 and name CA and segid A) (resid  28 and name C and segid A) (resid  29 and name N and segid A) 1.0 130  26 2
assign (resid  29 and name N and segid A) (resid  29 and name CA and segid A) (resid  29 and name C and segid A) (resid  30 and name N and segid A) 1.0 156  30 2
assign (resid  30 and name N and segid A) (resid  30 and name CA and segid A) (resid  30 and name C and segid A) (resid  31 and name N and segid A) 1.0 152  20 2
assign (resid  31 and name N and segid A) (resid  31 and name CA and segid A) (resid  31 and name C and segid A) (resid  32 and name N and segid A) 1.0 130  30 2
assign (resid  32 and name N and segid A) (resid  32 and name CA and segid A) (resid  32 and name C and segid A) (resid  33 and name N and segid A) 1.0 131  25 2
assign (resid  33 and name N and segid A) (resid  33 and name CA and segid A) (resid  33 and name C and segid A) (resid  34 and name N and segid A) 1.0 141  22 2
assign (resid  34 and name N and segid A) (resid  34 and name CA and segid A) (resid  34 and name C and segid A) (resid  35 and name N and segid A) 1.0 148  24 2
assign (resid  35 and name N and segid A) (resid  35 and name CA and segid A) (resid  35 and name C and segid A) (resid  36 and name N and segid A) 1.0   6  43 2
assign (resid  36 and name N and segid A) (resid  36 and name CA and segid A) (resid  36 and name C and segid A) (resid  37 and name N and segid A) 1.0 -24  42 2
assign (resid  37 and name N and segid A) (resid  37 and name CA and segid A) (resid  37 and name C and segid A) (resid  38 and name N and segid A) 1.0   2  15 2
assign (resid  38 and name N and segid A) (resid  38 and name CA and segid A) (resid  38 and name C and segid A) (resid  39 and name N and segid A) 1.0 134  71 2
assign (resid  39 and name N and segid A) (resid  39 and name CA and segid A) (resid  39 and name C and segid A) (resid  40 and name N and segid A) 1.0 -32  23 2
assign (resid  40 and name N and segid A) (resid  40 and name CA and segid A) (resid  40 and name C and segid A) (resid  41 and name N and segid A) 1.0 -38  15 2
assign (resid  42 and name N and segid A) (resid  42 and name CA and segid A) (resid  42 and name C and segid A) (resid  43 and name N and segid A) 1.0 -38  10 2
assign (resid  43 and name N and segid A) (resid  43 and name CA and segid A) (resid  43 and name C and segid A) (resid  44 and name N and segid A) 1.0 -40  10 2
assign (resid  44 and name N and segid A) (resid  44 and name CA and segid A) (resid  44 and name C and segid A) (resid  45 and name N and segid A) 1.0 -40  11 2
assign (resid  45 and name N and segid A) (resid  45 and name CA and segid A) (resid  45 and name C and segid A) (resid  46 and name N and segid A) 1.0 -34   8 2
assign (resid  46 and name N and segid A) (resid  46 and name CA and segid A) (resid  46 and name C and segid A) (resid  47 and name N and segid A) 1.0  -6  15 2
assign (resid  47 and name N and segid A) (resid  47 and name CA and segid A) (resid  47 and name C and segid A) (resid  48 and name N and segid A) 1.0  -5  41 2
assign (resid  48 and name N and segid A) (resid  48 and name CA and segid A) (resid  48 and name C and segid A) (resid  49 and name N and segid A) 1.0 168  16 2
assign (resid  49 and name N and segid A) (resid  49 and name CA and segid A) (resid  49 and name C and segid A) (resid  50 and name N and segid A) 1.0 -36  14 2
assign (resid  50 and name N and segid A) (resid  50 and name CA and segid A) (resid  50 and name C and segid A) (resid  51 and name N and segid A) 1.0 -41  10 2
assign (resid  51 and name N and segid A) (resid  51 and name CA and segid A) (resid  51 and name C and segid A) (resid  52 and name N and segid A) 1.0 -43  12 2
assign (resid  52 and name N and segid A) (resid  52 and name CA and segid A) (resid  52 and name C and segid A) (resid  53 and name N and segid A) 1.0 -38  13 2
assign (resid  53 and name N and segid A) (resid  53 and name CA and segid A) (resid  53 and name C and segid A) (resid  54 and name N and segid A) 1.0 -42  11 2
assign (resid  54 and name N and segid A) (resid  54 and name CA and segid A) (resid  54 and name C and segid A) (resid  55 and name N and segid A) 1.0 -39  13 2
assign (resid  55 and name N and segid A) (resid  55 and name CA and segid A) (resid  55 and name C and segid A) (resid  56 and name N and segid A) 1.0 -43  13 2
assign (resid  56 and name N and segid A) (resid  56 and name CA and segid A) (resid  56 and name C and segid A) (resid  57 and name N and segid A) 1.0 -40  16 2
assign (resid  57 and name N and segid A) (resid  57 and name CA and segid A) (resid  57 and name C and segid A) (resid  58 and name N and segid A) 1.0 -32  22 2
assign (resid  58 and name N and segid A) (resid  58 and name CA and segid A) (resid  58 and name C and segid A) (resid  59 and name N and segid A) 1.0 -26  38 2
assign (resid  59 and name N and segid A) (resid  59 and name CA and segid A) (resid  59 and name C and segid A) (resid  60 and name N and segid A) 1.0  -2  29 2
assign (resid  60 and name N and segid A) (resid  60 and name CA and segid A) (resid  60 and name C and segid A) (resid  61 and name N and segid A) 1.0 129  68 2
assign (resid   7 and name C and segid B) (resid   8 and name N and segid B) (resid   8 and name CA and segid B) (resid   8 and name C and segid B) 1.0 -64  16 2
assign (resid   8 and name C and segid B) (resid   9 and name N and segid B) (resid   9 and name CA and segid B) (resid   9 and name C and segid B) 1.0 -65   8 2
assign (resid   9 and name C and segid B) (resid  10 and name N and segid B) (resid  10 and name CA and segid B) (resid  10 and name C and segid B) 1.0 -66  12 2
assign (resid  10 and name C and segid B) (resid  11 and name N and segid B) (resid  11 and name CA and segid B) (resid  11 and name C and segid B) 1.0 -63  14 2
assign (resid  11 and name C and segid B) (resid  12 and name N and segid B) (resid  12 and name CA and segid B) (resid  12 and name C and segid B) 1.0 -62   6 2
assign (resid  12 and name C and segid B) (resid  13 and name N and segid B) (resid  13 and name CA and segid B) (resid  13 and name C and segid B) 1.0 -65  12 2
assign (resid  13 and name C and segid B) (resid  14 and name N and segid B) (resid  14 and name CA and segid B) (resid  14 and name C and segid B) 1.0 -63  20 2
assign (resid  14 and name C and segid B) (resid  15 and name N and segid B) (resid  15 and name CA and segid B) (resid  15 and name C and segid B) 1.0 -65  10 2
assign (resid  15 and name C and segid B) (resid  16 and name N and segid B) (resid  16 and name CA and segid B) (resid  16 and name C and segid B) 1.0 -67  16 2
assign (resid  16 and name C and segid B) (resid  17 and name N and segid B) (resid  17 and name CA and segid B) (resid  17 and name C and segid B) 1.0 -88  16 2
assign (resid  17 and name C and segid B) (resid  18 and name N and segid B) (resid  18 and name CA and segid B) (resid  18 and name C and segid B) 1.0 160 182 2
assign (resid  18 and name C and segid B) (resid  19 and name N and segid B) (resid  19 and name CA and segid B) (resid  19 and name C and segid B) 1.0 -94  32 2
assign (resid  19 and name C and segid B) (resid  20 and name N and segid B) (resid  20 and name CA and segid B) (resid  20 and name C and segid B) 1.0 -98  32 2
assign (resid  20 and name C and segid B) (resid  21 and name N and segid B) (resid  21 and name CA and segid B) (resid  21 and name C and segid B) 1.0 -132  30 2
assign (resid  21 and name C and segid B) (resid  22 and name N and segid B) (resid  22 and name CA and segid B) (resid  22 and name C and segid B) 1.0 -146  56 2
assign (resid  22 and name C and segid B) (resid  23 and name N and segid B) (resid  23 and name CA and segid B) (resid  23 and name C and segid B) 1.0 -115  36 2
assign (resid  23 and name C and segid B) (resid  24 and name N and segid B) (resid  24 and name CA and segid B) (resid  24 and name C and segid B) 1.0 -121  40 2
assign (resid  24 and name C and segid B) (resid  25 and name N and segid B) (resid  25 and name CA and segid B) (resid  25 and name C and segid B) 1.0  52  92 2
assign (resid  25 and name C and segid B) (resid  26 and name N and segid B) (resid  26 and name CA and segid B) (resid  26 and name C and segid B) 1.0 -100  16 2
assign (resid  26 and name C and segid B) (resid  27 and name N and segid B) (resid  27 and name CA and segid B) (resid  27 and name C and segid B) 1.0 -111  54 2
assign (resid  27 and name C and segid B) (resid  28 and name N and segid B) (resid  28 and name CA and segid B) (resid  28 and name C and segid B) 1.0 -109  44 2
assign (resid  28 and name C and segid B) (resid  29 and name N and segid B) (resid  29 and name CA and segid B) (resid  29 and name C and segid B) 1.0 -116  36 2
assign (resid  29 and name C and segid B) (resid  30 and name N and segid B) (resid  30 and name CA and segid B) (resid  30 and name C and segid B) 1.0 -130  28 2
assign (resid  30 and name C and segid B) (resid  31 and name N and segid B) (resid  31 and name CA and segid B) (resid  31 and name C and segid B) 1.0 -127  26 2
assign (resid  31 and name C and segid B) (resid  32 and name N and segid B) (resid  32 and name CA and segid B) (resid  32 and name C and segid B) 1.0 -117  38 2
assign (resid  32 and name C and segid B) (resid  33 and name N and segid B) (resid  33 and name CA and segid B) (resid  33 and name C and segid B) 1.0 -68  16 2
assign (resid  33 and name C and segid B) (resid  34 and name N and segid B) (resid  34 and name CA and segid B) (resid  34 and name C and segid B) 1.0 -63  10 2
assign (resid  34 and name C and segid B) (resid  35 and name N and segid B) (resid  35 and name CA and segid B) (resid  35 and name C and segid B) 1.0  83  28 2
assign (resid  35 and name C and segid B) (resid  36 and name N and segid B) (resid  36 and name CA and segid B) (resid  36 and name C and segid B) 1.0 -77  41 2
assign (resid  36 and name C and segid B) (resid  37 and name N and segid B) (resid  37 and name CA and segid B) (resid  37 and name C and segid B) 1.0 -105  22 2
assign (resid  37 and name C and segid B) (resid  38 and name N and segid B) (resid  38 and name CA and segid B) (resid  38 and name C and segid B) 1.0 -100  49 2
assign (resid  38 and name C and segid B) (resid  39 and name N and segid B) (resid  39 and name CA and segid B) (resid  39 and name C and segid B) 1.0 -56  13 2
assign (resid  39 and name C and segid B) (resid  40 and name N and segid B) (resid  40 and name CA and segid B) (resid  40 and name C and segid B) 1.0 -64   8 2
assign (resid  40 and name C and segid B) (resid  41 and name N and segid B) (resid  41 and name CA and segid B) (resid  41 and name C and segid B) 1.0 -66  15 2
assign (resid  41 and name C and segid B) (resid  42 and name N and segid B) (resid  42 and name CA and segid B) (resid  42 and name C and segid B) 1.0 -63   6 2
assign (resid  42 and name C and segid B) (resid  43 and name N and segid B) (resid  43 and name CA and segid B) (resid  43 and name C and segid B) 1.0 -65   7 2
assign (resid  43 and name C and segid B) (resid  44 and name N and segid B) (resid  44 and name CA and segid B) (resid  44 and name C and segid B) 1.0 -66  11 2
assign (resid  44 and name C and segid B) (resid  45 and name N and segid B) (resid  45 and name CA and segid B) (resid  45 and name C and segid B) 1.0 -64  11 2
assign (resid  45 and name C and segid B) (resid  46 and name N and segid B) (resid  46 and name CA and segid B) (resid  46 and name C and segid B) 1.0  95   9 2
assign (resid  46 and name C and segid B) (resid  47 and name N and segid B) (resid  47 and name CA and segid B) (resid  47 and name C and segid B) 1.0  92  24 2
assign (resid  47 and name C and segid B) (resid  48 and name N and segid B) (resid  48 and name CA and segid B) (resid  48 and name C and segid B) 1.0 -97  58 2
assign (resid  48 and name C and segid B) (resid  49 and name N and segid B) (resid  49 and name CA and segid B) (resid  49 and name C and segid B) 1.0 -61   7 2
assign (resid  49 and name C and segid B) (resid  50 and name N and segid B) (resid  50 and name CA and segid B) (resid  50 and name C and segid B) 1.0 -63   8 2
assign (resid  50 and name C and segid B) (resid  51 and name N and segid B) (resid  51 and name CA and segid B) (resid  51 and name C and segid B) 1.0 -66   8 2
assign (resid  51 and name C and segid B) (resid  52 and name N and segid B) (resid  52 and name CA and segid B) (resid  52 and name C and segid B) 1.0 -67  13 2
assign (resid  52 and name C and segid B) (resid  53 and name N and segid B) (resid  53 and name CA and segid B) (resid  53 and name C and segid B) 1.0 -64   9 2
assign (resid  53 and name C and segid B) (resid  54 and name N and segid B) (resid  54 and name CA and segid B) (resid  54 and name C and segid B) 1.0 -60   8 2
assign (resid  54 and name C and segid B) (resid  55 and name N and segid B) (resid  55 and name CA and segid B) (resid  55 and name C and segid B) 1.0 -63   8 2
assign (resid  55 and name C and segid B) (resid  56 and name N and segid B) (resid  56 and name CA and segid B) (resid  56 and name C and segid B) 1.0 -65  14 2
assign (resid  56 and name C and segid B) (resid  57 and name N and segid B) (resid  57 and name CA and segid B) (resid  57 and name C and segid B) 1.0 -62  11 2
assign (resid  57 and name C and segid B) (resid  58 and name N and segid B) (resid  58 and name CA and segid B) (resid  58 and name C and segid B) 1.0 -72  23 2
assign (resid  58 and name C and segid B) (resid  59 and name N and segid B) (resid  59 and name CA and segid B) (resid  59 and name C and segid B) 1.0 -95  22 2
assign (resid  59 and name C and segid B) (resid  60 and name N and segid B) (resid  60 and name CA and segid B) (resid  60 and name C and segid B) 1.0 -104  52 2
assign (resid   8 and name N and segid B) (resid   8 and name CA and segid B) (resid   8 and name C and segid B) (resid   9 and name N and segid B) 1.0 -43  16 2
assign (resid   9 and name N and segid B) (resid   9 and name CA and segid B) (resid   9 and name C and segid B) (resid  10 and name N and segid B) 1.0 -38  10 2
assign (resid  10 and name N and segid B) (resid  10 and name CA and segid B) (resid  10 and name C and segid B) (resid  11 and name N and segid B) 1.0 -40   6 2
assign (resid  11 and name N and segid B) (resid  11 and name CA and segid B) (resid  11 and name C and segid B) (resid  12 and name N and segid B) 1.0 -41  14 2
assign (resid  12 and name N and segid B) (resid  12 and name CA and segid B) (resid  12 and name C and segid B) (resid  13 and name N and segid B) 1.0 -41  12 2
assign (resid  13 and name N and segid B) (resid  13 and name CA and segid B) (resid  13 and name C and segid B) (resid  14 and name N and segid B) 1.0 -45  16 2
assign (resid  14 and name N and segid B) (resid  14 and name CA and segid B) (resid  14 and name C and segid B) (resid  15 and name N and segid B) 1.0 -41   8 2
assign (resid  15 and name N and segid B) (resid  15 and name CA and segid B) (resid  15 and name C and segid B) (resid  16 and name N and segid B) 1.0 -37  12 2
assign (resid  16 and name N and segid B) (resid  16 and name CA and segid B) (resid  16 and name C and segid B) (resid  17 and name N and segid B) 1.0 -26  32 2
assign (resid  17 and name N and segid B) (resid  17 and name CA and segid B) (resid  17 and name C and segid B) (resid  18 and name N and segid B) 1.0   2  26 2
assign (resid  18 and name N and segid B) (resid  18 and name CA and segid B) (resid  18 and name C and segid B) (resid  19 and name N and segid B) 1.0   7 206 2
assign (resid  19 and name N and segid B) (resid  19 and name CA and segid B) (resid  19 and name C and segid B) (resid  20 and name N and segid B) 1.0 131  26 2
assign (resid  20 and name N and segid B) (resid  20 and name CA and segid B) (resid  20 and name C and segid B) (resid  21 and name N and segid B) 1.0 126  26 2
assign (resid  21 and name N and segid B) (resid  21 and name CA and segid B) (resid  21 and name C and segid B) (resid  22 and name N and segid B) 1.0 155  30 2
assign (resid  22 and name N and segid B) (resid  22 and name CA and segid B) (resid  22 and name C and segid B) (resid  23 and name N and segid B) 1.0 156  38 2
assign (resid  23 and name N and segid B) (resid  23 and name CA and segid B) (resid  23 and name C and segid B) (resid  24 and name N and segid B) 1.0 136  20 2
assign (resid  24 and name N and segid B) (resid  24 and name CA and segid B) (resid  24 and name C and segid B) (resid  25 and name N and segid B) 1.0 119  32 2
assign (resid  25 and name N and segid B) (resid  25 and name CA and segid B) (resid  25 and name C and segid B) (resid  26 and name N and segid B) 1.0 -109  70 2
assign (resid  26 and name N and segid B) (resid  26 and name CA and segid B) (resid  26 and name C and segid B) (resid  27 and name N and segid B) 1.0  -3  28 2
assign (resid  27 and name N and segid B) (resid  27 and name CA and segid B) (resid  27 and name C and segid B) (resid  28 and name N and segid B) 1.0 139  54 2
assign (resid  28 and name N and segid B) (resid  28 and name CA and segid B) (resid  28 and name C and segid B) (resid  29 and name N and segid B) 1.0 130  26 2
assign (resid  29 and name N and segid B) (resid  29 and name CA and segid B) (resid  29 and name C and segid B) (resid  30 and name N and segid B) 1.0 156  30 2
assign (resid  30 and name N and segid B) (resid  30 and name CA and segid B) (resid  30 and name C and segid B) (resid  31 and name N and segid B) 1.0 152  20 2
assign (resid  31 and name N and segid B) (resid  31 and name CA and segid B) (resid  31 and name C and segid B) (resid  32 and name N and segid B) 1.0 130  30 2
assign (resid  32 and name N and segid B) (resid  32 and name CA and segid B) (resid  32 and name C and segid B) (resid  33 and name N and segid B) 1.0 131  25 2
assign (resid  33 and name N and segid B) (resid  33 and name CA and segid B) (resid  33 and name C and segid B) (resid  34 and name N and segid B) 1.0 141  22 2
assign (resid  34 and name N and segid B) (resid  34 and name CA and segid B) (resid  34 and name C and segid B) (resid  35 and name N and segid B) 1.0 148  24 2
assign (resid  35 and name N and segid B) (resid  35 and name CA and segid B) (resid  35 and name C and segid B) (resid  36 and name N and segid B) 1.0   6  43 2
assign (resid  36 and name N and segid B) (resid  36 and name CA and segid B) (resid  36 and name C and segid B) (resid  37 and name N and segid B) 1.0 -24  42 2
assign (resid  37 and name N and segid B) (resid  37 and name CA and segid B) (resid  37 and name C and segid B) (resid  38 and name N and segid B) 1.0   2  15 2
assign (resid  38 and name N and segid B) (resid  38 and name CA and segid B) (resid  38 and name C and segid B) (resid  39 and name N and segid B) 1.0 134  71 2
assign (resid  39 and name N and segid B) (resid  39 and name CA and segid B) (resid  39 and name C and segid B) (resid  40 and name N and segid B) 1.0 -32  23 2
assign (resid  40 and name N and segid B) (resid  40 and name CA and segid B) (resid  40 and name C and segid B) (resid  41 and name N and segid B) 1.0 -38  15 2
assign (resid  42 and name N and segid B) (resid  42 and name CA and segid B) (resid  42 and name C and segid B) (resid  43 and name N and segid B) 1.0 -38  10 2
assign (resid  43 and name N and segid B) (resid  43 and name CA and segid B) (resid  43 and name C and segid B) (resid  44 and name N and segid B) 1.0 -40  10 2
assign (resid  44 and name N and segid B) (resid  44 and name CA and segid B) (resid  44 and name C and segid B) (resid  45 and name N and segid B) 1.0 -40  11 2
assign (resid  45 and name N and segid B) (resid  45 and name CA and segid B) (resid  45 and name C and segid B) (resid  46 and name N and segid B) 1.0 -34   8 2
assign (resid  46 and name N and segid B) (resid  46 and name CA and segid B) (resid  46 and name C and segid B) (resid  47 and name N and segid B) 1.0  -6  15 2
assign (resid  47 and name N and segid B) (resid  47 and name CA and segid B) (resid  47 and name C and segid B) (resid  48 and name N and segid B) 1.0  -5  41 2
assign (resid  48 and name N and segid B) (resid  48 and name CA and segid B) (resid  48 and name C and segid B) (resid  49 and name N and segid B) 1.0 168  16 2
assign (resid  49 and name N and segid B) (resid  49 and name CA and segid B) (resid  49 and name C and segid B) (resid  50 and name N and segid B) 1.0 -36  14 2
assign (resid  50 and name N and segid B) (resid  50 and name CA and segid B) (resid  50 and name C and segid B) (resid  51 and name N and segid B) 1.0 -41  10 2
assign (resid  51 and name N and segid B) (resid  51 and name CA and segid B) (resid  51 and name C and segid B) (resid  52 and name N and segid B) 1.0 -43  12 2
assign (resid  52 and name N and segid B) (resid  52 and name CA and segid B) (resid  52 and name C and segid B) (resid  53 and name N and segid B) 1.0 -38  13 2
assign (resid  53 and name N and segid B) (resid  53 and name CA and segid B) (resid  53 and name C and segid B) (resid  54 and name N and segid B) 1.0 -42  11 2
assign (resid  54 and name N and segid B) (resid  54 and name CA and segid B) (resid  54 and name C and segid B) (resid  55 and name N and segid B) 1.0 -39  13 2
assign (resid  55 and name N and segid B) (resid  55 and name CA and segid B) (resid  55 and name C and segid B) (resid  56 and name N and segid B) 1.0 -43  13 2
assign (resid  56 and name N and segid B) (resid  56 and name CA and segid B) (resid  56 and name C and segid B) (resid  57 and name N and segid B) 1.0 -40  16 2
assign (resid  57 and name N and segid B) (resid  57 and name CA and segid B) (resid  57 and name C and segid B) (resid  58 and name N and segid B) 1.0 -32  22 2
assign (resid  58 and name N and segid B) (resid  58 and name CA and segid B) (resid  58 and name C and segid B) (resid  59 and name N and segid B) 1.0 -26  38 2
assign (resid  59 and name N and segid B) (resid  59 and name CA and segid B) (resid  59 and name C and segid B) (resid  60 and name N and segid B) 1.0  -2  29 2
assign (resid  60 and name N and segid B) (resid  60 and name CA and segid B) (resid  60 and name C and segid B) (resid  61 and name N and segid B) 1.0 129  68 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  11.569 -18.566  11.003
    2    H2   GLY   1           H2       GLY   1  12.019 -17.481  12.228
    3    H3   GLY   1           H3       GLY   1  13.034 -18.778  11.829
    4    HA2  GLY   1           HA2      GLY   1  13.439 -17.858   9.651
    5    HA3  GLY   1           HA1      GLY   1  12.357 -16.525  10.027
    6    HA   PRO   2           HA       PRO   2  16.625 -15.349  11.457
    7    HB2  PRO   2           HB2      PRO   2  17.400 -13.710   9.481
    8    HB3  PRO   2           HB3      PRO   2  17.598 -15.461   9.361
    9    HG2  PRO   2           HG2      PRO   2  15.585 -13.689   8.074
   10    HG3  PRO   2           HG3      PRO   2  16.356 -15.156   7.451
   11    HD2  PRO   2           HD2      PRO   2  13.798 -14.985   8.585
   12    HD3  PRO   2           HD3      PRO   2  14.713 -16.474   8.294
   13    H    LEU   3           HN       LEU   3  16.805 -13.642  12.809
   14    HA   LEU   3           HA       LEU   3  14.799 -11.518  12.602
   15    HG   LEU   3           HG       LEU   3  15.942  -9.861  14.979
   16    HB2  LEU   3           HB2      LEU   3  15.001 -12.722  14.735
   17    HB3  LEU   3           HB3      LEU   3  16.682 -12.234  14.856
   18   HD11  LEU   3          HD11      LEU   3  13.578  -9.392  15.431
   19   HD12  LEU   3          HD12      LEU   3  13.824 -10.057  13.814
   20   HD13  LEU   3          HD13      LEU   3  13.189 -11.081  15.103
   21   HD21  LEU   3          HD21      LEU   3  16.419 -11.105  17.011
   22   HD22  LEU   3          HD22      LEU   3  15.075  -9.993  17.269
   23   HD23  LEU   3          HD23      LEU   3  14.765 -11.715  17.048
   24    H    GLY   4           HN       GLY   4  18.289 -12.011  12.896
   25    HA2  GLY   4           HA1      GLY   4  20.054 -10.687  12.239
   26    HA3  GLY   4           HA2      GLY   4  18.898  -9.684  11.376
   27    H    SER   5           HN       SER   5  20.201  -7.871  12.093
   28    HA   SER   5           HA       SER   5  20.085  -7.218  14.915
   29    HG   SER   5           HG       SER   5  22.602  -6.985  14.471
   30    HB2  SER   5           HB2      SER   5  21.055  -5.547  12.580
   31    HB3  SER   5           HB3      SER   5  21.298  -5.185  14.289
   32    H    SER   6           HN       SER   6  19.059  -5.428  11.987
   33    HA   SER   6           HA       SER   6  16.378  -5.162  12.752
   34    HG   SER   6           HG       SER   6  19.031  -3.164  14.272
   35    HB2  SER   6           HB2      SER   6  16.452  -2.659  13.296
   36    HB3  SER   6           HB3      SER   6  16.978  -3.765  14.562
   37    H    ALA   7           HN       ALA   7  18.604  -2.684  11.487
   38    HA   ALA   7           HA       ALA   7  16.785  -1.943   9.440
   39    HB1  ALA   7           HB1      ALA   7  18.526  -0.424   8.694
   40    HB2  ALA   7           HB2      ALA   7  18.355  -0.366  10.449
   41    HB3  ALA   7           HB3      ALA   7  19.701  -1.243   9.722
   42    H    GLY   8           HN       GLY   8  19.962  -3.556   9.258
   43    HA2  GLY   8           HA1      GLY   8  19.994  -3.932   6.487
   44    HA3  GLY   8           HA2      GLY   8  20.889  -4.900   7.651
   45    H    ALA   9           HN       ALA   9  18.775  -6.030   9.066
   46    HA   ALA   9           HA       ALA   9  18.072  -8.215   7.442
   47    HB1  ALA   9           HB1      ALA   9  16.648  -8.910   9.300
   48    HB2  ALA   9           HB2      ALA   9  18.223  -8.361   9.877
   49    HB3  ALA   9           HB3      ALA   9  16.813  -7.314  10.030
   50    H    LEU  10           HN       LEU  10  16.200  -5.394   8.521
   51    HA   LEU  10           HA       LEU  10  13.774  -6.092   7.279
   52    HG   LEU  10           HG       LEU  10  13.233  -3.017   6.330
   53    HB2  LEU  10           HB2      LEU  10  13.790  -4.406   8.956
   54    HB3  LEU  10           HB3      LEU  10  14.949  -3.435   8.071
   55   HD11  LEU  10          HD11      LEU  10  11.899  -5.028   6.653
   56   HD12  LEU  10          HD12      LEU  10  11.401  -4.451   8.243
   57   HD13  LEU  10          HD13      LEU  10  10.904  -3.578   6.792
   58   HD21  LEU  10          HD21      LEU  10  13.559  -1.408   8.126
   59   HD22  LEU  10          HD22      LEU  10  11.857  -1.495   7.668
   60   HD23  LEU  10          HD23      LEU  10  12.415  -2.289   9.140
   61    H    LEU  11           HN       LEU  11  16.458  -4.053   6.185
   62    HA   LEU  11           HA       LEU  11  15.392  -3.324   3.702
   63    HG   LEU  11           HG       LEU  11  18.637  -1.657   3.000
   64    HB2  LEU  11           HB2      LEU  11  17.329  -2.263   4.814
   65    HB3  LEU  11           HB3      LEU  11  18.281  -3.700   4.519
   66   HD11  LEU  11          HD11      LEU  11  18.100  -4.339   1.741
   67   HD12  LEU  11          HD12      LEU  11  19.123  -3.060   1.087
   68   HD13  LEU  11          HD13      LEU  11  19.578  -3.875   2.585
   69   HD21  LEU  11          HD21      LEU  11  16.114  -2.756   1.763
   70   HD22  LEU  11          HD22      LEU  11  16.286  -1.187   2.546
   71   HD23  LEU  11          HD23      LEU  11  17.164  -1.528   1.055
   72    H    ALA  12           HN       ALA  12  17.495  -6.043   4.607
   73    HA   ALA  12           HA       ALA  12  17.858  -7.090   2.041
   74    HB1  ALA  12           HB1      ALA  12  17.855  -8.584   4.659
   75    HB2  ALA  12           HB2      ALA  12  18.571  -9.133   3.142
   76    HB3  ALA  12           HB3      ALA  12  19.228  -7.719   3.967
   77    H    HIS  13           HN       HIS  13  15.416  -7.972   4.512
   78    HA   HIS  13           HA       HIS  13  14.373 -10.062   2.864
   79    HD1  HIS  13           HD1      HIS  13  10.742  -9.422   4.407
   80    HD2  HIS  13           HD2      HIS  13  13.505  -7.531   6.859
   81    HE1  HIS  13           HE1      HIS  13   9.440  -7.712   5.693
   82    HE2  HIS  13           HE2      HIS  13  11.087  -6.762   7.339
   83    HB2  HIS  13           HB2      HIS  13  13.038 -10.637   4.641
   84    HB3  HIS  13           HB3      HIS  13  14.317  -9.773   5.480
   85    H    ALA  14           HN       ALA  14  13.641  -6.681   3.290
   86    HA   ALA  14           HA       ALA  14  11.071  -6.787   2.038
   87    HB1  ALA  14           HB1      ALA  14  11.688  -4.960   3.541
   88    HB2  ALA  14           HB2      ALA  14  12.928  -4.438   2.402
   89    HB3  ALA  14           HB3      ALA  14  11.224  -4.356   1.952
   90    H    ALA  15           HN       ALA  15  14.361  -6.084   0.953
   91    HA   ALA  15           HA       ALA  15  13.635  -5.511  -1.737
   92    HB1  ALA  15           HB1      ALA  15  16.012  -5.645  -2.212
   93    HB2  ALA  15           HB2      ALA  15  15.733  -4.727  -0.732
   94    HB3  ALA  15           HB3      ALA  15  16.300  -6.393  -0.641
   95    H    SER  16           HN       SER  16  14.712  -8.407  -0.039
   96    HA   SER  16           HA       SER  16  15.034 -10.045  -2.305
   97    HG   SER  16           HG       SER  16  14.439 -12.775  -0.291
   98    HB2  SER  16           HB2      SER  16  16.011 -10.565  -0.100
   99    HB3  SER  16           HB3      SER  16  14.394 -10.856   0.543
  100    H    LEU  17           HN       LEU  17  12.251  -9.553  -0.124
  101    HA   LEU  17           HA       LEU  17  10.589 -11.406  -1.539
  102    HG   LEU  17           HG       LEU  17  11.079 -10.992   1.495
  103    HB2  LEU  17           HB2      LEU  17   9.876  -9.170   0.363
  104    HB3  LEU  17           HB3      LEU  17   8.724 -10.327  -0.276
  105   HD11  LEU  17          HD11      LEU  17   9.370 -11.482   3.174
  106   HD12  LEU  17          HD12      LEU  17   9.337  -9.788   2.682
  107   HD13  LEU  17          HD13      LEU  17   8.121 -10.906   2.067
  108   HD21  LEU  17          HD21      LEU  17   8.863 -12.734   0.423
  109   HD22  LEU  17          HD22      LEU  17  10.564 -12.807  -0.035
  110   HD23  LEU  17          HD23      LEU  17  10.074 -13.223   1.607
  111    H    GLY  18           HN       GLY  18  11.455  -8.099  -1.923
  112    HA2  GLY  18           HA1      GLY  18  11.149  -6.773  -3.794
  113    HA3  GLY  18           HA2      GLY  18  10.035  -7.963  -4.437
  114    H    VAL  19           HN       VAL  19   9.962  -6.246  -1.334
  115    HA   VAL  19           HA       VAL  19   7.258  -5.335  -1.934
  116    HB   VAL  19           HB       VAL  19   8.866  -4.784   0.562
  117   HG11  VAL  19          HG11      VAL  19   6.665  -4.515   1.602
  118   HG12  VAL  19          HG12      VAL  19   6.910  -3.382   0.273
  119   HG13  VAL  19          HG13      VAL  19   5.898  -4.809   0.043
  120   HG21  VAL  19          HG21      VAL  19   7.716  -6.712   1.571
  121   HG22  VAL  19          HG22      VAL  19   7.070  -7.131  -0.017
  122   HG23  VAL  19          HG23      VAL  19   8.813  -7.172   0.264
  123    H    ARG  20           HN       ARG  20   7.284  -3.606  -3.272
  124    HA   ARG  20           HA       ARG  20   9.203  -1.419  -2.673
  125    HE   ARG  20           HE       ARG  20  11.794  -4.543  -4.747
  126    HB2  ARG  20           HB2      ARG  20   7.988  -2.314  -5.280
  127    HB3  ARG  20           HB3      ARG  20   8.848  -0.790  -5.085
  128    HG2  ARG  20           HG2      ARG  20  10.583  -2.041  -5.797
  129    HG3  ARG  20           HG3      ARG  20  10.682  -2.462  -4.086
  130    HD2  ARG  20           HD2      ARG  20   9.249  -4.440  -4.552
  131    HD3  ARG  20           HD3      ARG  20   9.329  -4.043  -6.270
  132   HH11  ARG  20          HH12      ARG  20   9.633  -5.331  -7.394
  133   HH12  ARG  20          HH11      ARG  20  10.711  -6.510  -8.080
  134   HH21  ARG  20          HH22      ARG  20  13.206  -6.093  -5.652
  135   HH22  ARG  20          HH21      ARG  20  12.726  -6.952  -7.086
  136    H    LEU  21           HN       LEU  21   8.253   0.493  -2.031
  137    HA   LEU  21           HA       LEU  21   5.469   0.986  -2.863
  138    HG   LEU  21           HG       LEU  21   4.564  -0.215  -0.775
  139    HB2  LEU  21           HB2      LEU  21   6.742   1.783  -0.241
  140    HB3  LEU  21           HB3      LEU  21   5.154   2.285  -0.774
  141   HD11  LEU  21          HD11      LEU  21   7.044  -0.280   0.945
  142   HD12  LEU  21          HD12      LEU  21   5.862  -1.581   0.793
  143   HD13  LEU  21          HD13      LEU  21   6.827  -1.100  -0.601
  144   HD21  LEU  21          HD21      LEU  21   5.154   1.246   1.798
  145   HD22  LEU  21          HD22      LEU  21   3.695   1.404   0.819
  146   HD23  LEU  21          HD23      LEU  21   4.057  -0.123   1.625
  147    H    TRP  22           HN       TRP  22   5.310   2.737  -4.122
  148    HA   TRP  22           HA       TRP  22   7.173   4.948  -3.635
  149    HD1  TRP  22           HD1      TRP  22   5.828   5.165  -8.013
  150    HE1  TRP  22           HE1      TRP  22   4.726   3.273  -9.370
  151    HE3  TRP  22           HE3      TRP  22   7.282   1.205  -5.151
  152    HZ2  TRP  22           HZ2      TRP  22   4.503   0.449  -9.219
  153    HZ3  TRP  22           HZ3      TRP  22   6.600  -1.056  -5.807
  154    HH2  TRP  22           HH2      TRP  22   5.231  -1.430  -7.805
  155    HB2  TRP  22           HB2      TRP  22   7.539   5.239  -6.062
  156    HB3  TRP  22           HB3      TRP  22   8.170   3.708  -5.476
  157    H    VAL  23           HN       VAL  23   6.393   6.972  -4.123
  158    HA   VAL  23           HA       VAL  23   3.516   7.058  -4.431
  159    HB   VAL  23           HB       VAL  23   4.408   8.393  -2.620
  160   HG11  VAL  23          HG11      VAL  23   6.014   9.841  -4.723
  161   HG12  VAL  23          HG12      VAL  23   5.892  10.307  -3.025
  162   HG13  VAL  23          HG13      VAL  23   6.652   8.776  -3.470
  163   HG21  VAL  23          HG21      VAL  23   3.453  10.579  -3.164
  164   HG22  VAL  23          HG22      VAL  23   3.456  10.157  -4.876
  165   HG23  VAL  23          HG23      VAL  23   2.432   9.264  -3.750
  166    H    GLU  24           HN       GLU  24   2.544   7.507  -6.288
  167    HA   GLU  24           HA       GLU  24   4.156   8.769  -8.401
  168    HB2  GLU  24           HB2      GLU  24   3.691   6.335  -8.786
  169    HB3  GLU  24           HB3      GLU  24   1.976   6.719  -8.815
  170    HG2  GLU  24           HG2      GLU  24   2.783   6.541 -11.061
  171    HG3  GLU  24           HG3      GLU  24   2.381   8.225 -10.721
  172    H    GLY  25           HN       GLY  25   3.442  10.810  -8.319
  173    HA2  GLY  25           HA1      GLY  25   2.033  12.571  -8.756
  174    HA3  GLY  25           HA2      GLY  25   0.852  11.405  -9.342
  175    H    GLU  26           HN       GLU  26  -0.830  10.865  -8.093
  176    HA   GLU  26           HA       GLU  26  -1.059  12.264  -5.534
  177    HB2  GLU  26           HB2      GLU  26  -3.485  11.881  -5.781
  178    HB3  GLU  26           HB3      GLU  26  -2.806  12.762  -7.143
  179    HG2  GLU  26           HG2      GLU  26  -3.016  10.967  -8.584
  180    HG3  GLU  26           HG3      GLU  26  -3.093   9.794  -7.272
  181    H    ARG  27           HN       ARG  27  -0.680   9.110  -6.843
  182    HA   ARG  27           HA       ARG  27  -1.761   7.961  -4.356
  183    HE   ARG  27           HE       ARG  27  -4.656   7.825  -5.553
  184    HB2  ARG  27           HB2      ARG  27  -3.068   7.588  -6.568
  185    HB3  ARG  27           HB3      ARG  27  -1.791   6.430  -6.931
  186    HG2  ARG  27           HG2      ARG  27  -3.759   5.371  -5.914
  187    HG3  ARG  27           HG3      ARG  27  -2.310   5.178  -4.913
  188    HD2  ARG  27           HD2      ARG  27  -4.411   5.831  -3.674
  189    HD3  ARG  27           HD3      ARG  27  -3.014   6.878  -3.421
  190   HH11  ARG  27          HH12      ARG  27  -4.519   7.662  -2.068
  191   HH12  ARG  27          HH11      ARG  27  -5.348   9.166  -1.824
  192   HH21  ARG  27          HH22      ARG  27  -5.732   9.804  -5.281
  193   HH22  ARG  27          HH21      ARG  27  -6.063  10.387  -3.667
  194    H    LEU  28           HN       LEU  28  -0.591   6.563  -3.286
  195    HA   LEU  28           HA       LEU  28   2.073   5.923  -4.142
  196    HG   LEU  28           HG       LEU  28   3.406   4.736  -2.394
  197    HB2  LEU  28           HB2      LEU  28   1.482   6.445  -1.789
  198    HB3  LEU  28           HB3      LEU  28   0.497   4.998  -1.738
  199   HD11  LEU  28          HD11      LEU  28   2.284   5.079   0.386
  200   HD12  LEU  28          HD12      LEU  28   3.930   4.584  -0.010
  201   HD13  LEU  28          HD13      LEU  28   3.365   6.197  -0.444
  202   HD21  LEU  28          HD21      LEU  28   1.938   2.781  -2.522
  203   HD22  LEU  28          HD22      LEU  28   3.126   2.606  -1.228
  204   HD23  LEU  28          HD23      LEU  28   1.458   3.028  -0.843
  205    H    ARG  29           HN       ARG  29   2.703   4.138  -5.164
  206    HA   ARG  29           HA       ARG  29   0.707   2.038  -5.624
  207    HE   ARG  29           HE       ARG  29  -0.789   3.440  -9.411
  208    HB2  ARG  29           HB2      ARG  29   3.059   3.045  -7.137
  209    HB3  ARG  29           HB3      ARG  29   2.701   1.331  -7.262
  210    HG2  ARG  29           HG2      ARG  29   1.682   2.497  -9.084
  211    HG3  ARG  29           HG3      ARG  29   0.426   1.886  -8.012
  212    HD2  ARG  29           HD2      ARG  29   0.262   4.129  -6.996
  213    HD3  ARG  29           HD3      ARG  29   1.447   4.717  -8.159
  214   HH11  ARG  29          HH12      ARG  29   0.336   6.451  -8.025
  215   HH12  ARG  29          HH11      ARG  29  -0.772   7.425  -8.934
  216   HH21  ARG  29          HH22      ARG  29  -2.246   4.722 -10.609
  217   HH22  ARG  29          HH21      ARG  29  -2.264   6.449 -10.369
  218    H    PHE  30           HN       PHE  30   1.048  -0.036  -5.021
  219    HA   PHE  30           HA       PHE  30   3.383  -0.501  -3.282
  220    HD1  PHE  30           HD1      PHE  30   3.486  -2.989  -2.198
  221    HD2  PHE  30           HD2      PHE  30   0.783  -0.474  -0.080
  222    HE1  PHE  30           HE1      PHE  30   4.386  -3.810  -0.075
  223    HE2  PHE  30           HE2      PHE  30   1.686  -1.287   2.044
  224    HZ   PHE  30           HZ       PHE  30   3.493  -2.961   2.051
  225    HB2  PHE  30           HB2      PHE  30   0.918  -0.267  -2.360
  226    HB3  PHE  30           HB3      PHE  30   0.767  -1.920  -2.935
  227    H    GLN  31           HN       GLN  31   4.620  -2.190  -3.833
  228    HA   GLN  31           HA       GLN  31   3.489  -4.249  -5.616
  229    HB2  GLN  31           HB2      GLN  31   5.371  -3.179  -6.676
  230    HB3  GLN  31           HB3      GLN  31   6.343  -3.330  -5.222
  231    HG2  GLN  31           HG2      GLN  31   7.050  -4.947  -6.860
  232    HG3  GLN  31           HG3      GLN  31   6.342  -5.764  -5.469
  233   HE21  GLN  31          HE21      GLN  31   5.851  -7.614  -6.583
  234   HE22  GLN  31          HE22      GLN  31   4.597  -7.697  -7.770
  235    H    ALA  32           HN       ALA  32   2.859  -5.944  -4.469
  236    HA   ALA  32           HA       ALA  32   4.642  -7.022  -2.427
  237    HB1  ALA  32           HB1      ALA  32   2.898  -7.151  -0.772
  238    HB2  ALA  32           HB2      ALA  32   3.122  -5.473  -1.277
  239    HB3  ALA  32           HB3      ALA  32   1.748  -6.399  -1.879
  240    HA   PRO  33           HA       PRO  33   3.321 -10.699  -4.695
  241    HB2  PRO  33           HB2      PRO  33   5.040 -11.880  -2.577
  242    HB3  PRO  33           HB3      PRO  33   5.085 -12.121  -4.328
  243    HG2  PRO  33           HG2      PRO  33   6.937 -10.637  -3.118
  244    HG3  PRO  33           HG3      PRO  33   6.284 -10.170  -4.700
  245    HD2  PRO  33           HD2      PRO  33   5.653  -9.071  -1.992
  246    HD3  PRO  33           HD3      PRO  33   5.852  -8.218  -3.538
  247    HA   PRO  34           HA       PRO  34   0.058 -11.998  -2.034
  248    HB2  PRO  34           HB2      PRO  34  -0.308 -14.549  -2.982
  249    HB3  PRO  34           HB3      PRO  34  -0.926 -13.096  -3.774
  250    HG2  PRO  34           HG2      PRO  34   1.498 -14.718  -4.403
  251    HG3  PRO  34           HG3      PRO  34   0.363 -13.919  -5.505
  252    HD2  PRO  34           HD2      PRO  34   2.806 -12.902  -4.912
  253    HD3  PRO  34           HD3      PRO  34   1.414 -11.875  -5.300
  254    H    GLY  35           HN       GLY  35   0.289 -12.511   0.045
  255    HA2  GLY  35           HA1      GLY  35   0.428 -14.315   1.647
  256    HA3  GLY  35           HA2      GLY  35   1.751 -14.977   0.703
  257    H    VAL  36           HN       VAL  36   3.093 -12.407   0.362
  258    HA   VAL  36           HA       VAL  36   4.549 -12.519   2.849
  259    HB   VAL  36           HB       VAL  36   6.162 -11.033   1.828
  260   HG11  VAL  36          HG11      VAL  36   6.874 -12.460   0.014
  261   HG12  VAL  36          HG12      VAL  36   6.185 -13.442   1.308
  262   HG13  VAL  36          HG13      VAL  36   5.243 -13.117  -0.146
  263   HG21  VAL  36          HG21      VAL  36   4.685  -9.528   0.648
  264   HG22  VAL  36          HG22      VAL  36   5.866 -10.213  -0.469
  265   HG23  VAL  36          HG23      VAL  36   4.208 -10.818  -0.454
  266    H    MET  37           HN       MET  37   2.104 -10.548   1.529
  267    HA   MET  37           HA       MET  37   2.845  -8.168   2.974
  268    HB2  MET  37           HB2      MET  37   1.796  -8.135   0.694
  269    HB3  MET  37           HB3      MET  37   0.296  -8.672   1.439
  270    HG2  MET  37           HG2      MET  37   0.693  -6.148   0.976
  271    HG3  MET  37           HG3      MET  37  -0.077  -6.661   2.474
  272    HE1  MET  37           HE1      MET  37   3.428  -5.535   0.887
  273    HE2  MET  37           HE2      MET  37   4.432  -5.614   2.332
  274    HE3  MET  37           HE3      MET  37   3.732  -7.091   1.666
  275    H    THR  38           HN       THR  38   2.098 -10.710   4.376
  276    HA   THR  38           HA       THR  38  -0.299 -10.529   5.758
  277    HB   THR  38           HB       THR  38   1.060 -11.585   7.675
  278    HG1  THR  38           HG1      THR  38   3.045 -10.742   6.082
  279   HG21  THR  38          HG21      THR  38   1.251 -13.721   6.485
  280   HG22  THR  38          HG22      THR  38   1.105 -12.874   4.944
  281   HG23  THR  38          HG23      THR  38  -0.253 -12.894   6.072
  282    HA   PRO  39           HA       PRO  39  -0.355  -6.728   7.913
  283    HB2  PRO  39           HB2      PRO  39  -1.224  -8.359  10.261
  284    HB3  PRO  39           HB3      PRO  39  -1.945  -6.898   9.576
  285    HG2  PRO  39           HG2      PRO  39  -3.041  -9.257   9.092
  286    HG3  PRO  39           HG3      PRO  39  -2.917  -8.045   7.802
  287    HD2  PRO  39           HD2      PRO  39  -1.300 -10.515   8.248
  288    HD3  PRO  39           HD3      PRO  39  -1.834  -9.773   6.726
  289    H    GLU  40           HN       GLU  40   1.208  -9.438   9.592
  290    HA   GLU  40           HA       GLU  40   2.529  -7.754  11.473
  291    HB2  GLU  40           HB2      GLU  40   2.081 -10.200  11.844
  292    HB3  GLU  40           HB3      GLU  40   3.363 -10.548  10.686
  293    HG2  GLU  40           HG2      GLU  40   4.954  -9.332  12.098
  294    HG3  GLU  40           HG3      GLU  40   3.671  -9.020  13.264
  295    H    LEU  41           HN       LEU  41   3.340  -9.004   8.279
  296    HA   LEU  41           HA       LEU  41   6.083  -8.294   8.335
  297    HG   LEU  41           HG       LEU  41   7.127  -7.910   6.208
  298    HB2  LEU  41           HB2      LEU  41   5.073  -9.774   6.598
  299    HB3  LEU  41           HB3      LEU  41   4.272  -8.350   5.937
  300   HD11  LEU  41          HD11      LEU  41   7.282 -10.319   5.850
  301   HD12  LEU  41          HD12      LEU  41   6.281 -10.172   4.406
  302   HD13  LEU  41          HD13      LEU  41   7.879  -9.420   4.453
  303   HD21  LEU  41          HD21      LEU  41   6.882  -7.220   3.871
  304   HD22  LEU  41          HD22      LEU  41   5.250  -7.888   3.848
  305   HD23  LEU  41          HD23      LEU  41   5.625  -6.513   4.890
  306    H    GLN  42           HN       GLN  42   3.151  -6.651   7.341
  307    HA   GLN  42           HA       GLN  42   4.295  -4.307   6.375
  308    HB2  GLN  42           HB2      GLN  42   1.944  -4.871   6.044
  309    HB3  GLN  42           HB3      GLN  42   1.646  -4.705   7.772
  310    HG2  GLN  42           HG2      GLN  42   0.881  -2.741   6.681
  311    HG3  GLN  42           HG3      GLN  42   2.325  -2.356   7.612
  312   HE21  GLN  42          HE21      GLN  42   2.957  -0.610   6.454
  313   HE22  GLN  42          HE22      GLN  42   3.485  -0.677   4.814
  314    H    SER  43           HN       SER  43   3.493  -5.330   9.630
  315    HA   SER  43           HA       SER  43   4.152  -2.895  10.921
  316    HG   SER  43           HG       SER  43   3.718  -4.548  14.002
  317    HB2  SER  43           HB2      SER  43   2.782  -4.702  11.953
  318    HB3  SER  43           HB3      SER  43   4.224  -5.709  12.039
  319    H    ARG  44           HN       ARG  44   6.008  -5.646   9.800
  320    HA   ARG  44           HA       ARG  44   8.434  -4.978  11.144
  321    HE   ARG  44           HE       ARG  44   7.142  -9.421  12.016
  322    HB2  ARG  44           HB2      ARG  44   8.121  -6.528   8.566
  323    HB3  ARG  44           HB3      ARG  44   9.518  -6.536   9.629
  324    HG2  ARG  44           HG2      ARG  44   6.786  -7.575  10.333
  325    HG3  ARG  44           HG3      ARG  44   8.169  -8.559   9.858
  326    HD2  ARG  44           HD2      ARG  44   9.398  -7.778  11.821
  327    HD3  ARG  44           HD3      ARG  44   8.026  -6.770  12.284
  328   HH11  ARG  44          HH12      ARG  44   9.188  -7.499  14.105
  329   HH12  ARG  44          HH11      ARG  44   8.903  -8.481  15.511
  330   HH21  ARG  44          HH22      ARG  44   6.732 -10.713  13.856
  331   HH22  ARG  44          HH21      ARG  44   7.506 -10.310  15.365
  332    H    LEU  45           HN       LEU  45   7.070  -4.266   7.952
  333    HA   LEU  45           HA       LEU  45   9.182  -2.764   6.879
  334    HG   LEU  45           HG       LEU  45   7.140  -4.617   5.680
  335    HB2  LEU  45           HB2      LEU  45   6.198  -2.399   6.520
  336    HB3  LEU  45           HB3      LEU  45   7.415  -1.612   5.539
  337   HD11  LEU  45          HD11      LEU  45   5.967  -2.722   3.648
  338   HD12  LEU  45          HD12      LEU  45   5.931  -4.485   3.571
  339   HD13  LEU  45          HD13      LEU  45   5.050  -3.635   4.841
  340   HD21  LEU  45          HD21      LEU  45   8.458  -2.770   3.695
  341   HD22  LEU  45          HD22      LEU  45   9.286  -3.815   4.855
  342   HD23  LEU  45          HD23      LEU  45   8.337  -4.522   3.544
  343    H    GLY  46           HN       GLY  46   6.520  -1.856   9.014
  344    HA2  GLY  46           HA1      GLY  46   6.623  -0.292  10.736
  345    HA3  GLY  46           HA2      GLY  46   8.158   0.278  10.100
  346    H    GLY  47           HN       GLY  47   6.842   0.461   7.387
  347    HA2  GLY  47           HA1      GLY  47   5.737   2.023   6.117
  348    HA3  GLY  47           HA2      GLY  47   4.777   2.402   7.539
  349    H    ALA  48           HN       ALA  48   8.280   2.604   7.380
  350    HA   ALA  48           HA       ALA  48   8.051   5.464   7.916
  351    HB1  ALA  48           HB1      ALA  48   9.223   4.183   9.612
  352    HB2  ALA  48           HB2      ALA  48  10.368   3.613   8.399
  353    HB3  ALA  48           HB3      ALA  48  10.309   5.326   8.825
  354    H    ARG  49           HN       ARG  49   9.540   6.926   6.939
  355    HA   ARG  49           HA       ARG  49   9.385   6.631   4.131
  356    HE   ARG  49           HE       ARG  49  11.511  11.255   4.975
  357    HB2  ARG  49           HB2      ARG  49  10.452   8.863   4.080
  358    HB3  ARG  49           HB3      ARG  49   9.056   8.771   5.144
  359    HG2  ARG  49           HG2      ARG  49  10.843   8.308   6.999
  360    HG3  ARG  49           HG3      ARG  49  11.942   9.051   5.828
  361    HD2  ARG  49           HD2      ARG  49   9.369  10.323   6.735
  362    HD3  ARG  49           HD3      ARG  49  10.942  10.660   7.463
  363   HH11  ARG  49          HH12      ARG  49   8.530  11.935   6.690
  364   HH12  ARG  49          HH11      ARG  49   8.207  13.398   5.795
  365   HH21  ARG  49          HH22      ARG  49  11.075  13.162   3.781
  366   HH22  ARG  49          HH21      ARG  49   9.649  14.087   4.150
  367    H    HIS  50           HN       HIS  50  12.196   6.682   6.301
  368    HA   HIS  50           HA       HIS  50  14.114   7.087   4.311
  369    HD1  HIS  50           HD1      HIS  50  15.072   3.983   7.453
  370    HD2  HIS  50           HD2      HIS  50  12.927   7.395   8.455
  371    HE1  HIS  50           HE1      HIS  50  13.795   3.411   9.526
  372    HE2  HIS  50           HE2      HIS  50  12.466   5.451  10.097
  373    HB2  HIS  50           HB2      HIS  50  15.712   6.064   6.076
  374    HB3  HIS  50           HB3      HIS  50  14.879   7.571   6.442
  375    H    GLU  51           HN       GLU  51  13.023   4.008   5.748
  376    HA   GLU  51           HA       GLU  51  14.877   2.484   4.183
  377    HB2  GLU  51           HB2      GLU  51  13.666   0.523   4.994
  378    HB3  GLU  51           HB3      GLU  51  14.044   1.625   6.309
  379    HG2  GLU  51           HG2      GLU  51  11.428   1.904   4.996
  380    HG3  GLU  51           HG3      GLU  51  11.687   0.512   6.030
  381    H    LEU  52           HN       LEU  52  11.517   3.458   3.874
  382    HA   LEU  52           HA       LEU  52  10.924   1.758   1.695
  383    HG   LEU  52           HG       LEU  52   9.157   2.512   4.103
  384    HB2  LEU  52           HB2      LEU  52   9.664   4.339   2.593
  385    HB3  LEU  52           HB3      LEU  52   9.071   3.417   1.225
  386   HD11  LEU  52          HD11      LEU  52   6.737   2.482   3.921
  387   HD12  LEU  52          HD12      LEU  52   7.365   4.091   3.564
  388   HD13  LEU  52          HD13      LEU  52   6.840   3.037   2.249
  389   HD21  LEU  52          HD21      LEU  52   8.050   0.474   3.311
  390   HD22  LEU  52          HD22      LEU  52   8.262   1.010   1.645
  391   HD23  LEU  52          HD23      LEU  52   9.672   0.639   2.640
  392    H    ILE  53           HN       ILE  53  12.182   5.055   1.889
  393    HA   ILE  53           HA       ILE  53  12.334   5.619  -0.831
  394    HB   ILE  53           HB       ILE  53  14.292   6.338   1.359
  395   HG12  ILE  53          HG12      ILE  53  12.073   7.947   0.073
  396   HG13  ILE  53          HG13      ILE  53  11.976   7.179   1.654
  397   HG21  ILE  53          HG21      ILE  53  15.384   6.502  -0.802
  398   HG22  ILE  53          HG22      ILE  53  14.048   7.468  -1.427
  399   HG23  ILE  53          HG23      ILE  53  15.077   8.111  -0.147
  400   HD11  ILE  53          HD11      ILE  53  12.429   9.557   1.847
  401   HD12  ILE  53          HD12      ILE  53  13.784   8.606   2.459
  402   HD13  ILE  53          HD13      ILE  53  13.886   9.371   0.873
  403    H    ALA  54           HN       ALA  54  14.528   3.770   1.237
  404    HA   ALA  54           HA       ALA  54  16.408   3.146  -0.795
  405    HB1  ALA  54           HB1      ALA  54  15.809   1.613   1.737
  406    HB2  ALA  54           HB2      ALA  54  17.257   1.465   0.741
  407    HB3  ALA  54           HB3      ALA  54  16.926   2.970   1.603
  408    H    LEU  55           HN       LEU  55  13.287   1.821   0.058
  409    HA   LEU  55           HA       LEU  55  13.681  -0.695  -1.216
  410    HG   LEU  55           HG       LEU  55  10.851  -1.490   0.865
  411    HB2  LEU  55           HB2      LEU  55  11.472   0.725   0.057
  412    HB3  LEU  55           HB3      LEU  55  10.981  -0.309  -1.272
  413   HD11  LEU  55          HD11      LEU  55  12.077  -3.462   0.207
  414   HD12  LEU  55          HD12      LEU  55  11.364  -2.689  -1.216
  415   HD13  LEU  55          HD13      LEU  55  13.089  -2.502  -0.875
  416   HD21  LEU  55          HD21      LEU  55  12.892  -2.049   2.090
  417   HD22  LEU  55          HD22      LEU  55  13.831  -1.028   0.998
  418   HD23  LEU  55          HD23      LEU  55  12.620  -0.306   2.063
  419    H    LEU  56           HN       LEU  56  12.488   2.440  -2.332
  420    HA   LEU  56           HA       LEU  56  11.904   1.525  -4.961
  421    HG   LEU  56           HG       LEU  56  10.137   4.501  -4.693
  422    HB2  LEU  56           HB2      LEU  56  12.541   4.212  -3.802
  423    HB3  LEU  56           HB3      LEU  56  12.101   3.969  -5.480
  424   HD11  LEU  56          HD11      LEU  56   9.889   2.242  -5.506
  425   HD12  LEU  56          HD12      LEU  56  10.164   1.633  -3.874
  426   HD13  LEU  56          HD13      LEU  56   8.723   2.587  -4.226
  427   HD21  LEU  56          HD21      LEU  56  10.881   5.060  -2.484
  428   HD22  LEU  56          HD22      LEU  56   9.300   4.274  -2.456
  429   HD23  LEU  56          HD23      LEU  56  10.749   3.362  -2.020
  430    H    ARG  57           HN       ARG  57  14.621   2.951  -3.326
  431    HA   ARG  57           HA       ARG  57  16.366   3.423  -5.387
  432    HE   ARG  57           HE       ARG  57  17.134   5.502  -4.063
  433    HB2  ARG  57           HB2      ARG  57  16.742   3.980  -2.991
  434    HB3  ARG  57           HB3      ARG  57  17.140   2.294  -2.702
  435    HG2  ARG  57           HG2      ARG  57  19.114   3.752  -2.928
  436    HG3  ARG  57           HG3      ARG  57  19.065   2.449  -4.117
  437    HD2  ARG  57           HD2      ARG  57  19.741   4.670  -5.040
  438    HD3  ARG  57           HD3      ARG  57  18.349   3.938  -5.832
  439   HH11  ARG  57          HH12      ARG  57  19.847   6.209  -6.166
  440   HH12  ARG  57          HH11      ARG  57  19.422   7.886  -6.349
  441   HH21  ARG  57          HH22      ARG  57  16.585   7.678  -4.305
  442   HH22  ARG  57          HH21      ARG  57  17.576   8.716  -5.282
  443    H    GLN  58           HN       GLN  58  15.454   0.356  -4.012
  444    HA   GLN  58           HA       GLN  58  17.461  -1.203  -5.229
  445    HB2  GLN  58           HB2      GLN  58  16.347  -3.022  -4.405
  446    HB3  GLN  58           HB3      GLN  58  15.579  -1.784  -3.417
  447    HG2  GLN  58           HG2      GLN  58  13.664  -1.755  -4.857
  448    HG3  GLN  58           HG3      GLN  58  14.443  -2.859  -5.988
  449   HE21  GLN  58          HE21      GLN  58  12.595  -2.573  -3.116
  450   HE22  GLN  58          HE22      GLN  58  12.502  -4.257  -2.741
  451    H    LEU  59           HN       LEU  59  14.254  -0.121  -6.375
  452    HA   LEU  59           HA       LEU  59  14.546  -1.634  -8.834
  453    HG   LEU  59           HG       LEU  59  12.195  -2.053  -6.941
  454    HB2  LEU  59           HB2      LEU  59  12.426   0.186  -7.763
  455    HB3  LEU  59           HB3      LEU  59  12.392  -0.366  -9.426
  456   HD11  LEU  59          HD11      LEU  59  10.303  -1.550  -9.235
  457   HD12  LEU  59          HD12      LEU  59  10.006  -2.623  -7.867
  458   HD13  LEU  59          HD13      LEU  59  10.159  -0.885  -7.608
  459   HD21  LEU  59          HD21      LEU  59  13.591  -3.199  -8.578
  460   HD22  LEU  59          HD22      LEU  59  12.011  -3.972  -8.455
  461   HD23  LEU  59          HD23      LEU  59  12.376  -2.924  -9.826
  462    H    GLN  60           HN       GLN  60  15.662   1.456  -7.953
  463    HA   GLN  60           HA       GLN  60  14.745   3.129  -9.956
  464    HB2  GLN  60           HB2      GLN  60  17.445   3.184  -8.614
  465    HB3  GLN  60           HB3      GLN  60  16.797   4.492  -9.587
  466    HG2  GLN  60           HG2      GLN  60  15.268   3.476  -7.241
  467    HG3  GLN  60           HG3      GLN  60  16.632   4.564  -7.009
  468   HE21  GLN  60          HE21      GLN  60  14.514   4.802  -9.788
  469   HE22  GLN  60          HE22      GLN  60  13.759   6.276  -9.314
  470    HA   PRO  61           HA       PRO  61  17.077   1.498 -13.456
  471    HB2  PRO  61           HB2      PRO  61  15.065   1.579 -15.209
  472    HB3  PRO  61           HB3      PRO  61  15.106   0.359 -13.932
  473    HG2  PRO  61           HG2      PRO  61  13.379   2.741 -14.201
  474    HG3  PRO  61           HG3      PRO  61  13.095   1.237 -13.308
  475    HD2  PRO  61           HD2      PRO  61  14.063   3.769 -12.299
  476    HD3  PRO  61           HD3      PRO  61  13.707   2.285 -11.391
  477    H    SER  62           HN       SER  62  16.130   4.525 -12.645
  478    HA   SER  62           HA       SER  62  15.787   5.905 -15.051
  479    HG   SER  62           HG       SER  62  16.360   7.283 -11.296
  480    HB2  SER  62           HB2      SER  62  16.458   7.913 -13.597
  481    HB3  SER  62           HB3      SER  62  15.058   6.970 -13.080
  482    H    SER  63           HN       SER  63  18.675   5.002 -13.297
  483    HA   SER  63           HA       SER  63  20.886   5.104 -13.803
  484    HG   SER  63           HG       SER  63  18.955   3.566 -15.840
  485    HB2  SER  63           HB2      SER  63  19.900   5.385 -16.656
  486    HB3  SER  63           HB3      SER  63  21.485   4.800 -16.140
  487    H    GLN  64           HN       GLN  64  19.911   7.458 -12.893
  488    HA   GLN  64           HA       GLN  64  20.578   9.649 -14.647
  489    HB2  GLN  64           HB2      GLN  64  19.872   9.571 -11.711
  490    HB3  GLN  64           HB3      GLN  64  20.052  11.037 -12.661
  491    HG2  GLN  64           HG2      GLN  64  18.019   8.879 -13.182
  492    HG3  GLN  64           HG3      GLN  64  17.712  10.386 -12.319
  493   HE21  GLN  64          HE21      GLN  64  18.300   8.920 -15.407
  494   HE22  GLN  64          HE22      GLN  64  17.878  10.301 -16.367
  495    H    GLY  65           HN       GLY  65  22.784   7.968 -14.324
  496    HA2  GLY  65           HA1      GLY  65  25.069   8.378 -14.127
  497    HA3  GLY  65           HA2      GLY  65  24.697   9.865 -13.267
  498    H    GLY  66           HN       GLY  66  23.666   9.462 -11.039
  499    HA2  GLY  66           HA1      GLY  66  25.516   7.780  -9.573
  500    HA3  GLY  66           HA2      GLY  66  24.338   8.888  -8.884
  501    H    SER  67           HN       SER  67  24.033   6.125 -11.069
  502    HA   SER  67           HA       SER  67  21.983   5.024  -9.280
  503    HG   SER  67           HG       SER  67  21.008   2.931 -11.882
  504    HB2  SER  67           HB2      SER  67  21.350   5.553 -11.652
  505    HB3  SER  67           HB3      SER  67  22.514   4.344 -12.185
  506    H    LEU  68           HN       LEU  68  22.730   3.519  -7.966
  507    HA   LEU  68           HA       LEU  68  23.830   1.740  -7.111
  508    HG   LEU  68           HG       LEU  68  22.944  -0.947  -9.496
  509    HB2  LEU  68           HB2      LEU  68  24.208   1.117 -10.030
  510    HB3  LEU  68           HB3      LEU  68  24.954   0.133  -8.788
  511   HD11  LEU  68          HD11      LEU  68  23.427  -1.109  -7.133
  512   HD12  LEU  68          HD12      LEU  68  22.520   0.371  -6.823
  513   HD13  LEU  68          HD13      LEU  68  21.686  -1.071  -7.404
  514   HD21  LEU  68          HD21      LEU  68  20.738   0.098  -9.326
  515   HD22  LEU  68          HD22      LEU  68  21.495   1.619  -8.850
  516   HD23  LEU  68          HD23      LEU  68  21.779   0.958 -10.460
  517    H    LEU  69           HN       LEU  69  26.202   0.595  -7.387
  518    HA   LEU  69           HA       LEU  69  28.018   2.892  -7.192
  519    HG   LEU  69           HG       LEU  69  29.782   1.287  -4.367
  520    HB2  LEU  69           HB2      LEU  69  27.601   1.184  -5.290
  521    HB3  LEU  69           HB3      LEU  69  28.600   0.101  -6.236
  522   HD11  LEU  69          HD11      LEU  69  31.784   1.815  -5.639
  523   HD12  LEU  69          HD12      LEU  69  31.027   0.342  -6.245
  524   HD13  LEU  69          HD13      LEU  69  30.842   1.857  -7.129
  525   HD21  LEU  69          HD21      LEU  69  29.354   3.693  -6.130
  526   HD22  LEU  69          HD22      LEU  69  28.663   3.430  -4.528
  527   HD23  LEU  69          HD23      LEU  69  30.406   3.632  -4.716
  528    H    ALA  70           HN       ALA  70  27.810  -0.382  -8.506
  529    HA   ALA  70           HA       ALA  70  28.944  -1.486 -10.122
  530    HB1  ALA  70           HB1      ALA  70  29.533  -0.252 -12.140
  531    HB2  ALA  70           HB2      ALA  70  27.940   0.217 -11.548
  532    HB3  ALA  70           HB3      ALA  70  29.325   1.273 -11.277
  533    HA   PRO  71           HA       PRO  71  33.033  -0.480  -8.249
  534    HB2  PRO  71           HB2      PRO  71  33.062  -3.064  -7.011
  535    HB3  PRO  71           HB3      PRO  71  32.892  -1.492  -6.231
  536    HG2  PRO  71           HG2      PRO  71  30.911  -3.406  -6.337
  537    HG3  PRO  71           HG3      PRO  71  30.627  -1.673  -6.092
  538    HD2  PRO  71           HD2      PRO  71  30.396  -3.301  -8.596
  539    HD3  PRO  71           HD3      PRO  71  29.355  -1.987  -8.008
  540    H    VAL  72           HN       VAL  72  31.807  -3.254  -9.909
  541    HA   VAL  72           HA       VAL  72  32.601  -4.633 -11.498
  542    HB   VAL  72           HB       VAL  72  33.854  -2.288 -12.074
  543   HG11  VAL  72          HG11      VAL  72  36.170  -2.812 -12.718
  544   HG12  VAL  72          HG12      VAL  72  35.931  -2.875 -10.972
  545   HG13  VAL  72          HG13      VAL  72  36.032  -4.371 -11.903
  546   HG21  VAL  72          HG21      VAL  72  32.744  -3.781 -13.638
  547   HG22  VAL  72          HG22      VAL  72  34.322  -3.284 -14.249
  548   HG23  VAL  72          HG23      VAL  72  34.111  -4.895 -13.562
  549    H    ALA  73           HN       ALA  73  34.808  -3.882  -8.883
  550    HA   ALA  73           HA       ALA  73  36.185  -6.406  -9.132
  551    HB1  ALA  73           HB1      ALA  73  37.368  -4.460  -8.242
  552    HB2  ALA  73           HB2      ALA  73  36.232  -4.380  -6.896
  553    HB3  ALA  73           HB3      ALA  73  37.310  -5.764  -7.058
  554    H    ARG  74           HN       ARG  74  34.020  -7.486  -9.181
  555    HA   ARG  74           HA       ARG  74  32.659  -7.779  -6.634
  556    HE   ARG  74           HE       ARG  74  29.149  -8.155  -9.387
  557    HB2  ARG  74           HB2      ARG  74  31.469  -7.772  -8.852
  558    HB3  ARG  74           HB3      ARG  74  32.239  -9.311  -9.209
  559    HG2  ARG  74           HG2      ARG  74  31.151 -10.174  -7.081
  560    HG3  ARG  74           HG3      ARG  74  30.181  -8.699  -7.115
  561    HD2  ARG  74           HD2      ARG  74  30.324 -10.824  -9.247
  562    HD3  ARG  74           HD3      ARG  74  28.965 -10.491  -8.177
  563   HH11  ARG  74          HH12      ARG  74  29.499 -11.357 -10.775
  564   HH12  ARG  74          HH11      ARG  74  28.835 -10.905 -12.316
  565   HH21  ARG  74          HH22      ARG  74  28.295  -7.551 -11.416
  566   HH22  ARG  74          HH21      ARG  74  28.141  -8.734 -12.683
  567    H    ASN  75           HN       ASN  75  34.889  -9.485  -8.685
  568    HA   ASN  75           HA       ASN  75  35.221 -11.541  -6.596
  569    HB2  ASN  75           HB2      ASN  75  35.617 -11.783  -9.590
  570    HB3  ASN  75           HB3      ASN  75  36.117 -13.009  -8.433
  571   HD21  ASN  75          HD21      ASN  75  34.821 -14.602  -9.152
  572   HD22  ASN  75          HD22      ASN  75  33.097 -14.562  -9.061
  573    H    GLY  76           HN       GLY  76  37.640 -12.597  -7.363
  574    HA2  GLY  76           HA1      GLY  76  39.776 -11.506  -8.259
  575    HA3  GLY  76           HA2      GLY  76  39.415 -10.252  -7.083
  576    H    ARG  77           HN       ARG  77  38.354 -12.900  -5.623
  577    HA   ARG  77           HA       ARG  77  40.681 -14.267  -4.819
  578    HE   ARG  77           HE       ARG  77  42.959 -11.785  -3.009
  579    HB2  ARG  77           HB2      ARG  77  41.139 -12.046  -3.744
  580    HB3  ARG  77           HB3      ARG  77  39.672 -12.252  -2.800
  581    HG2  ARG  77           HG2      ARG  77  40.580 -14.129  -1.652
  582    HG3  ARG  77           HG3      ARG  77  41.978 -14.179  -2.729
  583    HD2  ARG  77           HD2      ARG  77  41.293 -11.941  -0.827
  584    HD3  ARG  77           HD3      ARG  77  42.526 -13.172  -0.560
  585   HH11  ARG  77          HH12      ARG  77  43.357 -11.516   0.457
  586   HH12  ARG  77          HH11      ARG  77  44.659 -10.373   0.354
  587   HH21  ARG  77          HH22      ARG  77  44.640 -10.268  -3.165
  588   HH22  ARG  77          HH21      ARG  77  45.393  -9.652  -1.718
  589    H    LEU  78           HN       LEU  78  37.420 -13.226  -4.159
  590    HA   LEU  78           HA       LEU  78  36.868 -15.873  -3.046
  591    HG   LEU  78           HG       LEU  78  35.192 -12.539  -0.925
  592    HB2  LEU  78           HB2      LEU  78  34.960 -14.723  -1.762
  593    HB3  LEU  78           HB3      LEU  78  36.583 -14.614  -1.130
  594   HD11  LEU  78          HD11      LEU  78  37.769 -12.299  -2.460
  595   HD12  LEU  78          HD12      LEU  78  36.974 -10.989  -1.587
  596   HD13  LEU  78          HD13      LEU  78  37.577 -12.395  -0.712
  597   HD21  LEU  78          HD21      LEU  78  34.970 -11.081  -2.886
  598   HD22  LEU  78          HD22      LEU  78  35.551 -12.390  -3.911
  599   HD23  LEU  78          HD23      LEU  78  34.030 -12.565  -3.039
  600    H1   GLY   1           H1       GLY   1 -26.708  -1.585 -20.685
  601    H2   GLY   1           H2       GLY   1 -26.561  -3.131 -20.007
  602    H3   GLY   1           H3       GLY   1 -26.972  -2.957 -21.642
  603    HA2  GLY   1           HA2      GLY   1 -24.654  -3.617 -21.355
  604    HA3  GLY   1           HA1      GLY   1 -24.830  -2.066 -22.166
  605    HA   PRO   2           HA       PRO   2 -22.005  -1.729 -18.357
  606    HB2  PRO   2           HB2      PRO   2 -19.962  -1.057 -20.369
  607    HB3  PRO   2           HB3      PRO   2 -19.863  -2.168 -18.999
  608    HG2  PRO   2           HG2      PRO   2 -19.964  -3.046 -21.539
  609    HG3  PRO   2           HG3      PRO   2 -20.721  -3.934 -20.206
  610    HD2  PRO   2           HD2      PRO   2 -21.982  -2.159 -22.258
  611    HD3  PRO   2           HD3      PRO   2 -22.566  -3.697 -21.586
  612    H    LEU   3           HN       LEU   3 -22.358   0.212 -17.492
  613    HA   LEU   3           HA       LEU   3 -22.850   2.508 -19.179
  614    HG   LEU   3           HG       LEU   3 -24.678   0.965 -17.171
  615    HB2  LEU   3           HB2      LEU   3 -22.820   2.243 -16.171
  616    HB3  LEU   3           HB3      LEU   3 -23.334   3.669 -17.051
  617   HD11  LEU   3          HD11      LEU   3 -24.995   2.071 -15.020
  618   HD12  LEU   3          HD12      LEU   3 -25.539   3.532 -15.845
  619   HD13  LEU   3          HD13      LEU   3 -26.490   2.052 -15.955
  620   HD21  LEU   3          HD21      LEU   3 -24.875   2.203 -19.270
  621   HD22  LEU   3          HD22      LEU   3 -26.423   2.125 -18.427
  622   HD23  LEU   3          HD23      LEU   3 -25.470   3.610 -18.388
  623    H    GLY   4           HN       GLY   4 -20.669   1.875 -16.431
  624    HA2  GLY   4           HA1      GLY   4 -18.332   2.368 -16.488
  625    HA3  GLY   4           HA2      GLY   4 -18.649   3.555 -17.748
  626    H    SER   5           HN       SER   5 -17.104   4.226 -15.596
  627    HA   SER   5           HA       SER   5 -16.791   5.962 -14.173
  628    HG   SER   5           HG       SER   5 -17.720   6.700 -16.438
  629    HB2  SER   5           HB2      SER   5 -19.658   6.714 -14.787
  630    HB3  SER   5           HB3      SER   5 -18.480   7.733 -13.959
  631    H    SER   6           HN       SER   6 -19.999   4.507 -13.693
  632    HA   SER   6           HA       SER   6 -19.669   4.627 -10.806
  633    HG   SER   6           HG       SER   6 -21.511   6.088 -11.415
  634    HB2  SER   6           HB2      SER   6 -21.947   3.469 -12.435
  635    HB3  SER   6           HB3      SER   6 -21.967   3.853 -10.713
  636    H    ALA   7           HN       ALA   7 -18.438   3.089  -9.914
  637    HA   ALA   7           HA       ALA   7 -18.553   0.381 -11.079
  638    HB1  ALA   7           HB1      ALA   7 -16.354   1.474 -11.281
  639    HB2  ALA   7           HB2      ALA   7 -16.283   1.616  -9.525
  640    HB3  ALA   7           HB3      ALA   7 -16.298   0.023 -10.283
  641    H    GLY   8           HN       GLY   8 -20.370  -0.174  -9.794
  642    HA2  GLY   8           HA1      GLY   8 -20.302  -0.056  -6.943
  643    HA3  GLY   8           HA2      GLY   8 -21.431  -0.981  -7.921
  644    H    ALA   9           HN       ALA   9 -19.477  -2.526  -9.324
  645    HA   ALA   9           HA       ALA   9 -19.173  -4.670  -7.507
  646    HB1  ALA   9           HB1      ALA   9 -17.942  -5.776  -9.304
  647    HB2  ALA   9           HB2      ALA   9 -19.399  -4.998  -9.922
  648    HB3  ALA   9           HB3      ALA   9 -17.825  -4.247 -10.176
  649    H    LEU  10           HN       LEU  10 -16.911  -2.260  -8.759
  650    HA   LEU  10           HA       LEU  10 -14.586  -3.290  -7.551
  651    HG   LEU  10           HG       LEU  10 -13.472  -0.313  -6.777
  652    HB2  LEU  10           HB2      LEU  10 -14.411  -1.661  -9.313
  653    HB3  LEU  10           HB3      LEU  10 -15.319  -0.485  -8.384
  654   HD11  LEU  10          HD11      LEU  10 -12.574  -2.561  -6.968
  655   HD12  LEU  10          HD12      LEU  10 -12.053  -2.231  -8.620
  656   HD13  LEU  10          HD13      LEU  10 -11.317  -1.362  -7.273
  657   HD21  LEU  10          HD21      LEU  10 -13.558   1.195  -8.694
  658   HD22  LEU  10          HD22      LEU  10 -11.892   0.834  -8.239
  659   HD23  LEU  10          HD23      LEU  10 -12.611   0.048  -9.644
  660    H    LEU  11           HN       LEU  11 -16.893  -0.826  -6.481
  661    HA   LEU  11           HA       LEU  11 -15.668  -0.203  -4.041
  662    HG   LEU  11           HG       LEU  11 -18.573   1.985  -3.322
  663    HB2  LEU  11           HB2      LEU  11 -17.488   1.085  -5.170
  664    HB3  LEU  11           HB3      LEU  11 -18.617  -0.166  -4.705
  665   HD11  LEU  11          HD11      LEU  11 -18.273  -0.648  -1.890
  666   HD12  LEU  11          HD12      LEU  11 -19.017   0.811  -1.238
  667   HD13  LEU  11          HD13      LEU  11 -19.756  -0.018  -2.606
  668   HD21  LEU  11          HD21      LEU  11 -16.091   0.674  -2.226
  669   HD22  LEU  11          HD22      LEU  11 -16.165   2.201  -3.107
  670   HD23  LEU  11          HD23      LEU  11 -16.920   2.062  -1.520
  671    H    ALA  12           HN       ALA  12 -18.227  -2.545  -4.813
  672    HA   ALA  12           HA       ALA  12 -18.725  -3.427  -2.218
  673    HB1  ALA  12           HB1      ALA  12 -18.985  -5.037  -4.750
  674    HB2  ALA  12           HB2      ALA  12 -19.812  -5.333  -3.222
  675    HB3  ALA  12           HB3      ALA  12 -20.176  -3.879  -4.153
  676    H    HIS  13           HN       HIS  13 -16.553  -4.908  -4.668
  677    HA   HIS  13           HA       HIS  13 -15.864  -7.026  -2.896
  678    HD1  HIS  13           HD1      HIS  13 -12.128  -7.250  -4.621
  679    HD2  HIS  13           HD2      HIS  13 -14.577  -4.739  -6.846
  680    HE1  HIS  13           HE1      HIS  13 -10.572  -5.811  -5.962
  681    HE2  HIS  13           HE2      HIS  13 -12.085  -4.522  -7.500
  682    HB2  HIS  13           HB2      HIS  13 -14.590  -7.926  -4.594
  683    HB3  HIS  13           HB3      HIS  13 -15.725  -6.949  -5.512
  684    H    ALA  14           HN       ALA  14 -14.479  -3.870  -3.521
  685    HA   ALA  14           HA       ALA  14 -11.980  -4.391  -2.247
  686    HB1  ALA  14           HB1      ALA  14 -12.267  -2.545  -3.832
  687    HB2  ALA  14           HB2      ALA  14 -13.369  -1.753  -2.705
  688    HB3  ALA  14           HB3      ALA  14 -11.673  -1.974  -2.273
  689    H    ALA  15           HN       ALA  15 -15.069  -3.052  -1.203
  690    HA   ALA  15           HA       ALA  15 -14.272  -2.488   1.462
  691    HB1  ALA  15           HB1      ALA  15 -16.630  -2.202   1.916
  692    HB2  ALA  15           HB2      ALA  15 -16.233  -1.456   0.369
  693    HB3  ALA  15           HB3      ALA  15 -17.051  -3.019   0.411
  694    H    SER  16           HN       SER  16 -15.848  -5.252  -0.085
  695    HA   SER  16           HA       SER  16 -16.399  -6.729   2.231
  696    HG   SER  16           HG       SER  16 -15.991  -9.462   0.950
  697    HB2  SER  16           HB2      SER  16 -17.362  -7.172  -0.022
  698    HB3  SER  16           HB3      SER  16 -15.798  -7.795  -0.539
  699    H    LEU  17           HN       LEU  17 -13.565  -6.799   0.074
  700    HA   LEU  17           HA       LEU  17 -12.253  -8.877   1.522
  701    HG   LEU  17           HG       LEU  17 -12.742  -8.455  -1.488
  702    HB2  LEU  17           HB2      LEU  17 -11.174  -6.860  -0.445
  703    HB3  LEU  17           HB3      LEU  17 -10.249  -8.202   0.197
  704   HD11  LEU  17          HD11      LEU  17 -11.210  -9.270  -3.214
  705   HD12  LEU  17          HD12      LEU  17 -10.870  -7.599  -2.769
  706   HD13  LEU  17          HD13      LEU  17  -9.840  -8.897  -2.168
  707   HD21  LEU  17          HD21      LEU  17 -10.823 -10.549  -0.471
  708   HD22  LEU  17          HD22      LEU  17 -12.478 -10.299   0.089
  709   HD23  LEU  17          HD23      LEU  17 -12.176 -10.829  -1.567
  710    H    GLY  18           HN       GLY  18 -12.449  -5.445   1.869
  711    HA2  GLY  18           HA1      GLY  18 -11.856  -4.250   3.785
  712    HA3  GLY  18           HA2      GLY  18 -10.899  -5.624   4.320
  713    H    VAL  19           HN       VAL  19 -10.741  -3.978   1.208
  714    HA   VAL  19           HA       VAL  19  -7.897  -3.485   1.635
  715    HB   VAL  19           HB       VAL  19  -9.558  -2.914  -0.831
  716   HG11  VAL  19          HG11      VAL  19  -7.416  -2.853  -1.993
  717   HG12  VAL  19          HG12      VAL  19  -7.461  -1.656  -0.697
  718   HG13  VAL  19          HG13      VAL  19  -6.573  -3.162  -0.475
  719   HG21  VAL  19          HG21      VAL  19  -8.620  -4.999  -1.738
  720   HG22  VAL  19          HG22      VAL  19  -7.887  -5.336  -0.171
  721   HG23  VAL  19          HG23      VAL  19  -9.642  -5.286  -0.329
  722    H    ARG  20           HN       ARG  20  -7.411  -1.640   2.691
  723    HA   ARG  20           HA       ARG  20  -8.896   0.777   1.910
  724    HE   ARG  20           HE       ARG  20 -12.245  -1.446   4.163
  725    HB2  ARG  20           HB2      ARG  20  -8.059  -0.001   4.705
  726    HB3  ARG  20           HB3      ARG  20  -8.602   1.610   4.263
  727    HG2  ARG  20           HG2      ARG  20 -10.568   0.783   5.011
  728    HG3  ARG  20           HG3      ARG  20 -10.678   0.233   3.339
  729    HD2  ARG  20           HD2      ARG  20  -9.720  -1.943   4.043
  730    HD3  ARG  20           HD3      ARG  20  -9.758  -1.382   5.716
  731   HH11  ARG  20          HH12      ARG  20 -10.337  -2.579   6.882
  732   HH12  ARG  20          HH11      ARG  20 -11.646  -3.509   7.560
  733   HH21  ARG  20          HH22      ARG  20 -13.963  -2.672   5.073
  734   HH22  ARG  20          HH21      ARG  20 -13.678  -3.582   6.527
  735    H    LEU  21           HN       LEU  21  -7.703   2.539   1.459
  736    HA   LEU  21           HA       LEU  21  -4.856   2.542   2.219
  737    HG   LEU  21           HG       LEU  21  -4.260   1.116   0.162
  738    HB2  LEU  21           HB2      LEU  21  -6.027   3.477  -0.409
  739    HB3  LEU  21           HB3      LEU  21  -4.364   3.698   0.080
  740   HD11  LEU  21          HD11      LEU  21  -6.687   1.490  -1.589
  741   HD12  LEU  21          HD12      LEU  21  -5.787  -0.012  -1.372
  742   HD13  LEU  21          HD13      LEU  21  -6.663   0.698  -0.014
  743   HD21  LEU  21          HD21      LEU  21  -4.558   2.583  -2.455
  744   HD22  LEU  21          HD22      LEU  21  -3.102   2.519  -1.463
  745   HD23  LEU  21          HD23      LEU  21  -3.722   1.049  -2.216
  746    H    TRP  22           HN       TRP  22  -4.406   4.308   3.420
  747    HA   TRP  22           HA       TRP  22  -5.866   6.771   2.828
  748    HD1  TRP  22           HD1      TRP  22  -4.591   7.018   7.180
  749    HE1  TRP  22           HE1      TRP  22  -3.879   5.087   8.727
  750    HE3  TRP  22           HE3      TRP  22  -6.666   3.125   4.606
  751    HZ2  TRP  22           HZ2      TRP  22  -4.160   2.279   8.833
  752    HZ3  TRP  22           HZ3      TRP  22  -6.399   0.846   5.494
  753    HH2  TRP  22           HH2      TRP  22  -5.171   0.432   7.563
  754    HB2  TRP  22           HB2      TRP  22  -6.261   7.228   5.208
  755    HB3  TRP  22           HB3      TRP  22  -7.098   5.777   4.676
  756    H    VAL  23           HN       VAL  23  -4.724   8.608   3.052
  757    HA   VAL  23           HA       VAL  23  -1.879   8.306   3.467
  758    HB   VAL  23           HB       VAL  23  -2.558   9.679   1.596
  759   HG11  VAL  23          HG11      VAL  23  -3.947  11.458   3.600
  760   HG12  VAL  23          HG12      VAL  23  -3.744  11.803   1.882
  761   HG13  VAL  23          HG13      VAL  23  -4.735  10.438   2.395
  762   HG21  VAL  23          HG21      VAL  23  -1.287  11.717   2.080
  763   HG22  VAL  23          HG22      VAL  23  -1.380  11.357   3.804
  764   HG23  VAL  23          HG23      VAL  23  -0.491  10.281   2.725
  765    H    GLU  24           HN       GLU  24  -1.002   8.483   5.386
  766    HA   GLU  24           HA       GLU  24  -2.365  10.103   7.427
  767    HB2  GLU  24           HB2      GLU  24  -2.167   7.623   7.844
  768    HB3  GLU  24           HB3      GLU  24  -0.422   7.832   7.887
  769    HG2  GLU  24           HG2      GLU  24  -1.257   7.758  10.123
  770    HG3  GLU  24           HG3      GLU  24  -0.697   9.394   9.781
  771    H    GLY  25           HN       GLY  25  -1.413  12.047   7.282
  772    HA2  GLY  25           HA1      GLY  25   0.207  13.650   7.549
  773    HA3  GLY  25           HA2      GLY  25   1.220  12.401   8.256
  774    H    GLU  26           HN       GLU  26   2.733  11.365   7.020
  775    HA   GLU  26           HA       GLU  26   3.344  12.684   4.465
  776    HB2  GLU  26           HB2      GLU  26   5.643  11.862   4.830
  777    HB3  GLU  26           HB3      GLU  26   5.083  12.857   6.169
  778    HG2  GLU  26           HG2      GLU  26   4.899  11.063   7.607
  779    HG3  GLU  26           HG3      GLU  26   4.785   9.890   6.294
  780    H    ARG  27           HN       ARG  27   2.421   9.667   5.848
  781    HA   ARG  27           HA       ARG  27   3.378   8.235   3.457
  782    HE   ARG  27           HE       ARG  27   6.340   7.842   4.686
  783    HB2  ARG  27           HB2      ARG  27   4.583   7.926   5.754
  784    HB3  ARG  27           HB3      ARG  27   3.195   6.925   6.143
  785    HG2  ARG  27           HG2      ARG  27   5.139   5.651   5.323
  786    HG3  ARG  27           HG3      ARG  27   3.692   5.433   4.330
  787    HD2  ARG  27           HD2      ARG  27   5.811   5.743   3.033
  788    HD3  ARG  27           HD3      ARG  27   4.546   6.912   2.654
  789   HH11  ARG  27          HH12      ARG  27   5.972   7.475   1.225
  790   HH12  ARG  27          HH11      ARG  27   6.940   8.860   0.847
  791   HH21  ARG  27          HH22      ARG  27   7.598   9.661   4.215
  792   HH22  ARG  27          HH21      ARG  27   7.860  10.117   2.553
  793    H    LEU  28           HN       LEU  28   1.917   7.122   2.390
  794    HA   LEU  28           HA       LEU  28  -0.778   6.910   3.343
  795    HG   LEU  28           HG       LEU  28  -2.359   5.945   1.655
  796    HB2  LEU  28           HB2      LEU  28  -0.190   7.275   0.959
  797    HB3  LEU  28           HB3      LEU  28   0.529   5.680   0.910
  798   HD11  LEU  28          HD11      LEU  28  -1.261   5.993  -1.153
  799   HD12  LEU  28          HD12      LEU  28  -2.959   5.795  -0.717
  800   HD13  LEU  28          HD13      LEU  28  -2.124   7.306  -0.351
  801   HD21  LEU  28          HD21      LEU  28  -1.266   3.760   1.818
  802   HD22  LEU  28          HD22      LEU  28  -2.492   3.768   0.549
  803   HD23  LEU  28          HD23      LEU  28  -0.782   3.874   0.126
  804    H    ARG  29           HN       ARG  29  -1.637   5.301   4.479
  805    HA   ARG  29           HA       ARG  29  -0.031   2.893   4.933
  806    HE   ARG  29           HE       ARG  29   1.782   4.157   8.627
  807    HB2  ARG  29           HB2      ARG  29  -2.161   4.304   6.459
  808    HB3  ARG  29           HB3      ARG  29  -2.074   2.557   6.627
  809    HG2  ARG  29           HG2      ARG  29  -0.836   3.596   8.398
  810    HG3  ARG  29           HG3      ARG  29   0.280   2.766   7.316
  811    HD2  ARG  29           HD2      ARG  29   0.790   4.924   6.232
  812    HD3  ARG  29           HD3      ARG  29  -0.288   5.729   7.374
  813   HH11  ARG  29          HH12      ARG  29   1.008   7.299   7.272
  814   HH12  ARG  29          HH11      ARG  29   2.187   8.141   8.234
  815   HH21  ARG  29          HH22      ARG  29   3.340   5.251   9.858
  816   HH22  ARG  29          HH21      ARG  29   3.506   6.976   9.718
  817    H    PHE  30           HN       PHE  30  -0.727   0.886   4.418
  818    HA   PHE  30           HA       PHE  30  -3.142   0.760   2.737
  819    HD1  PHE  30           HD1      PHE  30  -3.599  -1.864   1.889
  820    HD2  PHE  30           HD2      PHE  30  -0.792   0.223  -0.532
  821    HE1  PHE  30           HE1      PHE  30  -4.749  -2.667  -0.132
  822    HE2  PHE  30           HE2      PHE  30  -1.934  -0.575  -2.555
  823    HZ   PHE  30           HZ       PHE  30  -3.917  -2.023  -2.357
  824    HB2  PHE  30           HB2      PHE  30  -0.721   0.502   1.735
  825    HB3  PHE  30           HB3      PHE  30  -0.808  -1.109   2.428
  826    H    GLN  31           HN       GLN  31  -4.654  -0.647   3.395
  827    HA   GLN  31           HA       GLN  31  -3.878  -2.809   5.240
  828    HB2  GLN  31           HB2      GLN  31  -5.552  -1.376   6.236
  829    HB3  GLN  31           HB3      GLN  31  -6.545  -1.452   4.787
  830    HG2  GLN  31           HG2      GLN  31  -7.492  -2.837   6.514
  831    HG3  GLN  31           HG3      GLN  31  -6.920  -3.841   5.185
  832   HE21  GLN  31          HE21      GLN  31  -6.768  -5.657   6.461
  833   HE22  GLN  31          HE22      GLN  31  -5.537  -5.862   7.656
  834    H    ALA  32           HN       ALA  32  -3.539  -4.629   4.157
  835    HA   ALA  32           HA       ALA  32  -5.495  -5.460   2.153
  836    HB1  ALA  32           HB1      ALA  32  -3.765  -6.071   0.562
  837    HB2  ALA  32           HB2      ALA  32  -3.699  -4.346   0.918
  838    HB3  ALA  32           HB3      ALA  32  -2.523  -5.443   1.646
  839    HA   PRO  33           HA       PRO  33  -4.910  -9.193   4.654
  840    HB2  PRO  33           HB2      PRO  33  -6.882 -10.136   2.642
  841    HB3  PRO  33           HB3      PRO  33  -6.935 -10.247   4.406
  842    HG2  PRO  33           HG2      PRO  33  -8.479  -8.515   3.102
  843    HG3  PRO  33           HG3      PRO  33  -7.723  -8.076   4.646
  844    HD2  PRO  33           HD2      PRO  33  -6.933  -7.314   1.863
  845    HD3  PRO  33           HD3      PRO  33  -6.936  -6.330   3.342
  846    HA   PRO  34           HA       PRO  34  -1.979 -11.185   2.038
  847    HB2  PRO  34           HB2      PRO  34  -2.070 -13.708   3.128
  848    HB3  PRO  34           HB3      PRO  34  -1.171 -12.355   3.825
  849    HG2  PRO  34           HG2      PRO  34  -3.857 -13.434   4.562
  850    HG3  PRO  34           HG3      PRO  34  -2.555 -12.852   5.615
  851    HD2  PRO  34           HD2      PRO  34  -4.722 -11.353   5.058
  852    HD3  PRO  34           HD3      PRO  34  -3.116 -10.632   5.292
  853    H    GLY  35           HN       GLY  35  -2.362 -11.737  -0.004
  854    HA2  GLY  35           HA1      GLY  35  -2.821 -13.593  -1.491
  855    HA3  GLY  35           HA2      GLY  35  -4.228 -13.959  -0.504
  856    H    VAL  36           HN       VAL  36  -5.096 -11.166  -0.319
  857    HA   VAL  36           HA       VAL  36  -6.546 -11.166  -2.821
  858    HB   VAL  36           HB       VAL  36  -7.944  -9.449  -1.897
  859   HG11  VAL  36          HG11      VAL  36  -8.760 -10.544   0.132
  860   HG12  VAL  36          HG12      VAL  36  -8.378 -11.715  -1.131
  861   HG13  VAL  36          HG13      VAL  36  -7.270 -11.483   0.223
  862   HG21  VAL  36          HG21      VAL  36  -6.222  -8.058  -0.868
  863   HG22  VAL  36          HG22      VAL  36  -7.520  -8.410   0.273
  864   HG23  VAL  36          HG23      VAL  36  -5.986  -9.271   0.391
  865    H    MET  37           HN       MET  37  -3.769  -9.636  -1.600
  866    HA   MET  37           HA       MET  37  -4.092  -7.218  -3.145
  867    HB2  MET  37           HB2      MET  37  -3.041  -7.261  -0.867
  868    HB3  MET  37           HB3      MET  37  -1.665  -8.094  -1.578
  869    HG2  MET  37           HG2      MET  37  -1.567  -5.534  -1.237
  870    HG3  MET  37           HG3      MET  37  -0.962  -6.230  -2.740
  871    HE1  MET  37           HE1      MET  37  -4.143  -4.529  -1.067
  872    HE2  MET  37           HE2      MET  37  -5.174  -4.323  -2.484
  873    HE3  MET  37           HE3      MET  37  -4.799  -5.941  -1.895
  874    H    THR  38           HN       THR  38  -3.748  -9.991  -4.353
  875    HA   THR  38           HA       THR  38  -1.449 -10.211  -5.855
  876    HB   THR  38           HB       THR  38  -3.102 -11.072  -7.681
  877    HG1  THR  38           HG1      THR  38  -4.834  -9.874  -6.261
  878   HG21  THR  38          HG21      THR  38  -3.420 -13.162  -6.460
  879   HG22  THR  38          HG22      THR  38  -3.036 -12.349  -4.943
  880   HG23  THR  38          HG23      THR  38  -1.797 -12.523  -6.189
  881    HA   PRO  39           HA       PRO  39  -0.839  -6.489  -8.050
  882    HB2  PRO  39           HB2      PRO  39  -0.255  -8.300 -10.358
  883    HB3  PRO  39           HB3      PRO  39   0.675  -6.931  -9.737
  884    HG2  PRO  39           HG2      PRO  39   1.425  -9.410  -9.170
  885    HG3  PRO  39           HG3      PRO  39   1.502  -8.142  -7.933
  886    HD2  PRO  39           HD2      PRO  39  -0.444 -10.377  -8.231
  887    HD3  PRO  39           HD3      PRO  39   0.187  -9.618  -6.757
  888    H    GLU  40           HN       GLU  40  -2.726  -8.956  -9.837
  889    HA   GLU  40           HA       GLU  40  -3.775  -7.100 -11.704
  890    HB2  GLU  40           HB2      GLU  40  -3.744  -9.599 -11.995
  891    HB3  GLU  40           HB3      GLU  40  -5.088  -9.684 -10.862
  892    HG2  GLU  40           HG2      GLU  40  -6.456  -8.332 -12.338
  893    HG3  GLU  40           HG3      GLU  40  -5.110  -8.159 -13.461
  894    H    LEU  41           HN       LEU  41  -4.737  -7.996  -8.465
  895    HA   LEU  41           HA       LEU  41  -7.351  -6.836  -8.639
  896    HG   LEU  41           HG       LEU  41  -8.448  -6.437  -6.462
  897    HB2  LEU  41           HB2      LEU  41  -6.817  -8.565  -6.967
  898    HB3  LEU  41           HB3      LEU  41  -5.694  -7.463  -6.193
  899   HD11  LEU  41          HD11      LEU  41  -8.913  -8.783  -5.977
  900   HD12  LEU  41          HD12      LEU  41  -7.824  -8.716  -4.591
  901   HD13  LEU  41          HD13      LEU  41  -9.301  -7.752  -4.598
  902   HD21  LEU  41          HD21      LEU  41  -8.000  -5.724  -4.143
  903   HD22  LEU  41          HD22      LEU  41  -6.457  -6.577  -4.194
  904   HD23  LEU  41          HD23      LEU  41  -6.739  -5.198  -5.258
  905    H    GLN  42           HN       GLN  42  -4.162  -5.732  -7.633
  906    HA   GLN  42           HA       GLN  42  -4.892  -3.173  -6.727
  907    HB2  GLN  42           HB2      GLN  42  -2.637  -4.050  -6.400
  908    HB3  GLN  42           HB3      GLN  42  -2.371  -4.090  -8.138
  909    HG2  GLN  42           HG2      GLN  42  -1.239  -2.200  -7.138
  910    HG3  GLN  42           HG3      GLN  42  -2.514  -1.657  -8.225
  911   HE21  GLN  42          HE21      GLN  42  -2.700   0.345  -7.251
  912   HE22  GLN  42          HE22      GLN  42  -3.385   0.549  -5.674
  913    H    SER  43           HN       SER  43  -4.315  -4.485  -9.924
  914    HA   SER  43           HA       SER  43  -4.585  -2.072 -11.373
  915    HG   SER  43           HG       SER  43  -5.218  -4.101 -14.241
  916    HB2  SER  43           HB2      SER  43  -3.586  -4.170 -12.277
  917    HB3  SER  43           HB3      SER  43  -5.190  -4.897 -12.289
  918    H    ARG  44           HN       ARG  44  -6.881  -4.402 -10.101
  919    HA   ARG  44           HA       ARG  44  -9.175  -3.417 -11.455
  920    HE   ARG  44           HE       ARG  44  -8.694  -8.003 -12.077
  921    HB2  ARG  44           HB2      ARG  44  -9.048  -4.819  -8.775
  922    HB3  ARG  44           HB3      ARG  44 -10.475  -4.642  -9.785
  923    HG2  ARG  44           HG2      ARG  44  -8.001  -6.199 -10.498
  924    HG3  ARG  44           HG3      ARG  44  -9.525  -6.881  -9.930
  925    HD2  ARG  44           HD2      ARG  44 -10.664  -6.047 -11.892
  926    HD3  ARG  44           HD3      ARG  44  -9.190  -5.249 -12.441
  927   HH11  ARG  44          HH12      ARG  44 -10.498  -5.859 -14.178
  928   HH12  ARG  44          HH11      ARG  44 -10.327  -6.877 -15.577
  929   HH21  ARG  44          HH22      ARG  44  -8.447  -9.339 -13.916
  930   HH22  ARG  44          HH21      ARG  44  -9.146  -8.846 -15.431
  931    H    LEU  45           HN       LEU  45  -7.656  -2.701  -8.357
  932    HA   LEU  45           HA       LEU  45  -9.538  -0.870  -7.370
  933    HG   LEU  45           HG       LEU  45  -7.745  -3.012  -6.163
  934    HB2  LEU  45           HB2      LEU  45  -6.543  -0.956  -6.968
  935    HB3  LEU  45           HB3      LEU  45  -7.656   0.001  -6.011
  936   HD11  LEU  45          HD11      LEU  45  -6.505  -1.221  -4.079
  937   HD12  LEU  45          HD12      LEU  45  -6.722  -2.965  -3.931
  938   HD13  LEU  45          HD13      LEU  45  -5.648  -2.312  -5.166
  939   HD21  LEU  45          HD21      LEU  45  -9.059  -1.037  -4.300
  940   HD22  LEU  45          HD22      LEU  45  -9.865  -1.975  -5.559
  941   HD23  LEU  45          HD23      LEU  45  -9.152  -2.793  -4.168
  942    H    GLY  46           HN       GLY  46  -6.775  -0.485  -9.513
  943    HA2  GLY  46           HA1      GLY  46  -6.624   1.024 -11.282
  944    HA3  GLY  46           HA2      GLY  46  -8.016   1.882 -10.639
  945    H    GLY  47           HN       GLY  47  -6.637   1.918  -7.942
  946    HA2  GLY  47           HA1      GLY  47  -5.192   3.257  -6.754
  947    HA3  GLY  47           HA2      GLY  47  -4.213   3.371  -8.210
  948    H    ALA  48           HN       ALA  48  -7.574   4.331  -8.120
  949    HA   ALA  48           HA       ALA  48  -6.713   7.076  -8.654
  950    HB1  ALA  48           HB1      ALA  48  -8.106   6.034 -10.374
  951    HB2  ALA  48           HB2      ALA  48  -9.380   5.776  -9.182
  952    HB3  ALA  48           HB3      ALA  48  -8.918   7.415  -9.637
  953    H    ARG  49           HN       ARG  49  -8.058   8.812  -7.777
  954    HA   ARG  49           HA       ARG  49  -8.000   8.603  -4.965
  955    HE   ARG  49           HE       ARG  49  -9.181  13.497  -6.105
  956    HB2  ARG  49           HB2      ARG  49  -8.809  10.982  -5.055
  957    HB3  ARG  49           HB3      ARG  49  -7.340  10.647  -5.967
  958    HG2  ARG  49           HG2      ARG  49  -9.008  10.318  -7.953
  959    HG3  ARG  49           HG3      ARG  49 -10.077  11.294  -6.944
  960    HD2  ARG  49           HD2      ARG  49  -7.306  12.066  -7.853
  961    HD3  ARG  49           HD3      ARG  49  -8.818  12.679  -8.519
  962   HH11  ARG  49          HH12      ARG  49  -6.053  13.212  -7.654
  963   HH12  ARG  49          HH11      ARG  49  -5.370  14.585  -6.824
  964   HH21  ARG  49          HH22      ARG  49  -8.301  15.288  -4.993
  965   HH22  ARG  49          HH21      ARG  49  -6.648  15.759  -5.284
  966    H    HIS  50           HN       HIS  50 -10.769   8.933  -7.204
  967    HA   HIS  50           HA       HIS  50 -12.592   9.695  -5.227
  968    HD1  HIS  50           HD1      HIS  50 -14.694   6.972  -8.281
  969    HD2  HIS  50           HD2      HIS  50 -11.256   9.077  -9.299
  970    HE1  HIS  50           HE1      HIS  50 -13.823   5.880 -10.373
  971    HE2  HIS  50           HE2      HIS  50 -11.654   7.063 -10.873
  972    HB2  HIS  50           HB2      HIS  50 -14.375   9.039  -6.891
  973    HB3  HIS  50           HB3      HIS  50 -13.186  10.205  -7.448
  974    H    GLU  51           HN       GLU  51 -12.058   6.441  -6.599
  975    HA   GLU  51           HA       GLU  51 -14.110   5.276  -5.006
  976    HB2  GLU  51           HB2      GLU  51 -13.064   3.091  -5.654
  977    HB3  GLU  51           HB3      GLU  51 -13.517   4.117  -7.004
  978    HG2  GLU  51           HG2      GLU  51 -10.721   4.164  -5.958
  979    HG3  GLU  51           HG3      GLU  51 -11.248   2.867  -7.027
  980    H    LEU  52           HN       LEU  52 -10.618   5.636  -4.631
  981    HA   LEU  52           HA       LEU  52 -10.388   3.985  -2.363
  982    HG   LEU  52           HG       LEU  52  -8.531   4.324  -4.790
  983    HB2  LEU  52           HB2      LEU  52  -8.678   6.261  -3.337
  984    HB3  LEU  52           HB3      LEU  52  -8.269   5.284  -1.939
  985   HD11  LEU  52          HD11      LEU  52  -6.147   3.812  -4.551
  986   HD12  LEU  52          HD12      LEU  52  -6.480   5.534  -4.365
  987   HD13  LEU  52          HD13      LEU  52  -6.162   4.540  -2.944
  988   HD21  LEU  52          HD21      LEU  52  -7.827   2.142  -3.941
  989   HD22  LEU  52          HD22      LEU  52  -7.899   2.758  -2.289
  990   HD23  LEU  52          HD23      LEU  52  -9.373   2.632  -3.251
  991    H    ILE  53           HN       ILE  53 -11.118   7.436  -2.705
  992    HA   ILE  53           HA       ILE  53 -11.094   8.140   0.002
  993    HB   ILE  53           HB       ILE  53 -12.943   9.127  -2.182
  994   HG12  ILE  53          HG12      ILE  53 -10.428  10.339  -1.011
  995   HG13  ILE  53          HG13      ILE  53 -10.526   9.515  -2.564
  996   HG21  ILE  53          HG21      ILE  53 -13.917   9.563   0.010
  997   HG22  ILE  53          HG22      ILE  53 -12.412  10.310   0.543
  998   HG23  ILE  53          HG23      ILE  53 -13.366  11.061  -0.737
  999   HD11  ILE  53          HD11      ILE  53 -10.543  11.936  -2.822
 1000   HD12  ILE  53          HD12      ILE  53 -12.055  11.219  -3.382
 1001   HD13  ILE  53          HD13      ILE  53 -11.991  12.036  -1.820
 1002    H    ALA  54           HN       ALA  54 -13.647   6.660  -1.965
 1003    HA   ALA  54           HA       ALA  54 -15.580   6.467   0.091
 1004    HB1  ALA  54           HB1      ALA  54 -15.233   4.678  -2.314
 1005    HB2  ALA  54           HB2      ALA  54 -16.688   4.837  -1.332
 1006    HB3  ALA  54           HB3      ALA  54 -16.120   6.203  -2.291
 1007    H    LEU  55           HN       LEU  55 -12.827   4.487  -0.762
 1008    HA   LEU  55           HA       LEU  55 -13.503   2.217   0.779
 1009    HG   LEU  55           HG       LEU  55 -10.855   0.853  -1.302
 1010    HB2  LEU  55           HB2      LEU  55 -11.071   3.208  -0.571
 1011    HB3  LEU  55           HB3      LEU  55 -10.807   2.096   0.760
 1012   HD11  LEU  55          HD11      LEU  55 -12.662  -0.723  -0.842
 1013   HD12  LEU  55          HD12      LEU  55 -11.837  -0.230   0.638
 1014   HD13  LEU  55          HD13      LEU  55 -13.414   0.453   0.238
 1015   HD21  LEU  55          HD21      LEU  55 -12.844   0.776  -2.730
 1016   HD22  LEU  55          HD22      LEU  55 -13.582   2.051  -1.758
 1017   HD23  LEU  55          HD23      LEU  55 -12.123   2.385  -2.691
 1018    H    LEU  56           HN       LEU  56 -11.955   5.266   1.621
 1019    HA   LEU  56           HA       LEU  56 -11.376   4.385   4.309
 1020    HG   LEU  56           HG       LEU  56  -8.995   6.990   4.012
 1021    HB2  LEU  56           HB2      LEU  56 -11.484   7.149   3.104
 1022    HB3  LEU  56           HB3      LEU  56 -11.107   6.844   4.787
 1023   HD11  LEU  56          HD11      LEU  56  -9.208   4.721   4.855
 1024   HD12  LEU  56          HD12      LEU  56  -9.629   4.147   3.241
 1025   HD13  LEU  56          HD13      LEU  56  -8.021   4.801   3.553
 1026   HD21  LEU  56          HD21      LEU  56  -9.626   7.609   1.759
 1027   HD22  LEU  56          HD22      LEU  56  -8.290   6.458   1.728
 1028   HD23  LEU  56          HD23      LEU  56  -9.929   5.919   1.355
 1029    H    ARG  57           HN       ARG  57 -13.969   5.948   2.620
 1030    HA   ARG  57           HA       ARG  57 -15.393   7.059   4.730
 1031    HE   ARG  57           HE       ARG  57 -16.215   9.295   2.782
 1032    HB2  ARG  57           HB2      ARG  57 -15.814   7.448   2.308
 1033    HB3  ARG  57           HB3      ARG  57 -16.536   5.849   2.207
 1034    HG2  ARG  57           HG2      ARG  57 -18.220   7.601   2.351
 1035    HG3  ARG  57           HG3      ARG  57 -18.291   6.518   3.741
 1036    HD2  ARG  57           HD2      ARG  57 -18.540   8.895   4.361
 1037    HD3  ARG  57           HD3      ARG  57 -17.138   8.133   5.113
 1038   HH11  ARG  57          HH12      ARG  57 -17.894  10.443   5.628
 1039   HH12  ARG  57          HH11      ARG  57 -17.075  11.978   5.656
 1040   HH21  ARG  57          HH22      ARG  57 -15.128  11.305   2.817
 1041   HH22  ARG  57          HH21      ARG  57 -15.484  12.462   4.062
 1042    H    GLN  58           HN       GLN  58 -15.279   3.737   3.594
 1043    HA   GLN  58           HA       GLN  58 -17.509   2.789   5.069
 1044    HB2  GLN  58           HB2      GLN  58 -16.659   0.562   4.667
 1045    HB3  GLN  58           HB3      GLN  58 -16.461   1.526   3.209
 1046    HG2  GLN  58           HG2      GLN  58 -14.119   1.800   3.641
 1047    HG3  GLN  58           HG3      GLN  58 -14.279   1.022   5.213
 1048   HE21  GLN  58          HE21      GLN  58 -12.671   0.398   2.805
 1049   HE22  GLN  58          HE22      GLN  58 -13.049  -1.248   2.412
 1050    H    LEU  59           HN       LEU  59 -14.252   3.556   6.022
 1051    HA   LEU  59           HA       LEU  59 -14.492   1.952   8.459
 1052    HG   LEU  59           HG       LEU  59 -12.405   1.104   6.357
 1053    HB2  LEU  59           HB2      LEU  59 -12.186   3.357   7.155
 1054    HB3  LEU  59           HB3      LEU  59 -12.096   2.818   8.819
 1055   HD11  LEU  59          HD11      LEU  59 -10.283   1.288   8.492
 1056   HD12  LEU  59          HD12      LEU  59 -10.292   0.153   7.141
 1057   HD13  LEU  59          HD13      LEU  59 -10.148   1.885   6.837
 1058   HD21  LEU  59          HD21      LEU  59 -13.838   0.239   8.147
 1059   HD22  LEU  59          HD22      LEU  59 -12.449  -0.813   7.869
 1060   HD23  LEU  59          HD23      LEU  59 -12.470   0.274   9.258
 1061    H    GLN  60           HN       GLN  60 -15.035   5.122   7.462
 1062    HA   GLN  60           HA       GLN  60 -13.796   6.729   9.327
 1063    HB2  GLN  60           HB2      GLN  60 -16.496   7.114   8.028
 1064    HB3  GLN  60           HB3      GLN  60 -15.617   8.369   8.887
 1065    HG2  GLN  60           HG2      GLN  60 -14.407   6.943   6.544
 1066    HG3  GLN  60           HG3      GLN  60 -15.495   8.311   6.331
 1067   HE21  GLN  60          HE21      GLN  60 -13.241   8.054   9.011
 1068   HE22  GLN  60          HE22      GLN  60 -12.192   9.322   8.495
 1069    HA   PRO  61           HA       PRO  61 -16.294   5.707  12.943
 1070    HB2  PRO  61           HB2      PRO  61 -14.270   5.502  14.668
 1071    HB3  PRO  61           HB3      PRO  61 -14.572   4.240  13.468
 1072    HG2  PRO  61           HG2      PRO  61 -12.410   6.250  13.575
 1073    HG3  PRO  61           HG3      PRO  61 -12.443   4.678  12.764
 1074    HD2  PRO  61           HD2      PRO  61 -12.933   7.292  11.634
 1075    HD3  PRO  61           HD3      PRO  61 -12.884   5.722  10.805
 1076    H    SER  62           HN       SER  62 -14.787   8.423  11.925
 1077    HA   SER  62           HA       SER  62 -14.176   9.901  14.214
 1078    HG   SER  62           HG       SER  62 -14.632  11.159  10.396
 1079    HB2  SER  62           HB2      SER  62 -14.508  11.886  12.628
 1080    HB3  SER  62           HB3      SER  62 -13.315  10.672  12.157
 1081    H    SER  63           HN       SER  63 -17.217   9.349  12.585
 1082    HA   SER  63           HA       SER  63 -19.370   9.824  13.143
 1083    HG   SER  63           HG       SER  63 -17.589   8.208  14.982
 1084    HB2  SER  63           HB2      SER  63 -18.274  10.218  15.941
 1085    HB3  SER  63           HB3      SER  63 -19.921   9.766  15.494
 1086    H    GLN  64           HN       GLN  64 -17.984  11.949  12.067
 1087    HA   GLN  64           HA       GLN  64 -18.330  14.312  13.694
 1088    HB2  GLN  64           HB2      GLN  64 -17.508  13.971  10.806
 1089    HB3  GLN  64           HB3      GLN  64 -17.502  15.499  11.671
 1090    HG2  GLN  64           HG2      GLN  64 -15.872  13.088  12.438
 1091    HG3  GLN  64           HG3      GLN  64 -15.277  14.447  11.487
 1092   HE21  GLN  64          HE21      GLN  64 -16.230  13.352  14.641
 1093   HE22  GLN  64          HE22      GLN  64 -15.636  14.720  15.522
 1094    H    GLY  65           HN       GLY  65 -20.769  13.125  13.483
 1095    HA2  GLY  65           HA1      GLY  65 -22.936  13.886  13.182
 1096    HA3  GLY  65           HA2      GLY  65 -22.307  15.209  12.213
 1097    H    GLY  66           HN       GLY  66 -21.479  14.558  10.012
 1098    HA2  GLY  66           HA1      GLY  66 -23.588  13.097   8.698
 1099    HA3  GLY  66           HA2      GLY  66 -22.255  13.936   7.921
 1100    H    SER  67           HN       SER  67 -22.224  11.334  10.325
 1101    HA   SER  67           HA       SER  67 -20.502   9.773   8.550
 1102    HG   SER  67           HG       SER  67 -19.897   7.543  11.030
 1103    HB2  SER  67           HB2      SER  67 -19.936  10.232  11.017
 1104    HB3  SER  67           HB3      SER  67 -21.237   9.110  11.410
 1105    H    LEU  68           HN       LEU  68 -21.448   8.315   7.288
 1106    HA   LEU  68           HA       LEU  68 -22.862   6.760   6.458
 1107    HG   LEU  68           HG       LEU  68 -22.546   4.087   8.987
 1108    HB2  LEU  68           HB2      LEU  68 -23.393   6.378   9.392
 1109    HB3  LEU  68           HB3      LEU  68 -24.308   5.491   8.192
 1110   HD11  LEU  68          HD11      LEU  68 -23.045   3.915   6.614
 1111   HD12  LEU  68          HD12      LEU  68 -21.837   5.149   6.260
 1112   HD13  LEU  68          HD13      LEU  68 -21.339   3.595   6.928
 1113   HD21  LEU  68          HD21      LEU  68 -20.177   4.689   8.773
 1114   HD22  LEU  68          HD22      LEU  68 -20.645   6.302   8.234
 1115   HD23  LEU  68          HD23      LEU  68 -21.037   5.771   9.870
 1116    H    LEU  69           HN       LEU  69 -25.457   6.065   6.924
 1117    HA   LEU  69           HA       LEU  69 -26.814   8.639   6.492
 1118    HG   LEU  69           HG       LEU  69 -28.856   7.231   3.752
 1119    HB2  LEU  69           HB2      LEU  69 -26.713   6.815   4.669
 1120    HB3  LEU  69           HB3      LEU  69 -27.856   5.938   5.662
 1121   HD11  LEU  69          HD11      LEU  69 -30.739   8.132   5.036
 1122   HD12  LEU  69          HD12      LEU  69 -30.251   6.537   5.608
 1123   HD13  LEU  69          HD13      LEU  69 -29.794   7.979   6.516
 1124   HD21  LEU  69          HD21      LEU  69 -28.096   9.608   5.443
 1125   HD22  LEU  69          HD22      LEU  69 -27.417   9.191   3.869
 1126   HD23  LEU  69          HD23      LEU  69 -29.115   9.645   4.004
 1127    H    ALA  70           HN       ALA  70 -27.255   5.420   7.896
 1128    HA   ALA  70           HA       ALA  70 -28.538   4.605   9.567
 1129    HB1  ALA  70           HB1      ALA  70 -29.002   6.013  11.507
 1130    HB2  ALA  70           HB2      ALA  70 -27.336   6.211  10.960
 1131    HB3  ALA  70           HB3      ALA  70 -28.539   7.444  10.586
 1132    HA   PRO  71           HA       PRO  71 -32.420   5.910   7.487
 1133    HB2  PRO  71           HB2      PRO  71 -32.871   3.091   7.000
 1134    HB3  PRO  71           HB3      PRO  71 -32.592   4.381   5.828
 1135    HG2  PRO  71           HG2      PRO  71 -30.812   2.364   6.303
 1136    HG3  PRO  71           HG3      PRO  71 -30.345   3.974   5.727
 1137    HD2  PRO  71           HD2      PRO  71 -30.238   2.854   8.505
 1138    HD3  PRO  71           HD3      PRO  71 -29.045   3.856   7.647
 1139    H    VAL  72           HN       VAL  72 -31.680   4.767  10.328
 1140    HA   VAL  72           HA       VAL  72 -34.207   3.521  11.051
 1141    HB   VAL  72           HB       VAL  72 -32.066   2.643  11.960
 1142   HG11  VAL  72          HG11      VAL  72 -31.955   5.273  13.422
 1143   HG12  VAL  72          HG12      VAL  72 -30.905   3.888  13.727
 1144   HG13  VAL  72          HG13      VAL  72 -30.843   4.718  12.171
 1145   HG21  VAL  72          HG21      VAL  72 -34.168   2.256  13.154
 1146   HG22  VAL  72          HG22      VAL  72 -32.802   2.388  14.264
 1147   HG23  VAL  72          HG23      VAL  72 -33.919   3.740  14.072
 1148    H    ALA  73           HN       ALA  73 -35.602   4.385  12.629
 1149    HA   ALA  73           HA       ALA  73 -36.717   5.925  13.853
 1150    HB1  ALA  73           HB1      ALA  73 -34.548   6.424  14.909
 1151    HB2  ALA  73           HB2      ALA  73 -34.250   7.648  13.676
 1152    HB3  ALA  73           HB3      ALA  73 -35.596   7.838  14.801
 1153    H    ARG  74           HN       ARG  74 -36.034   6.156  10.750
 1154    HA   ARG  74           HA       ARG  74 -37.967   8.283  10.359
 1155    HE   ARG  74           HE       ARG  74 -37.300  12.209   7.555
 1156    HB2  ARG  74           HB2      ARG  74 -35.666   9.332  10.275
 1157    HB3  ARG  74           HB3      ARG  74 -35.341   8.331   8.866
 1158    HG2  ARG  74           HG2      ARG  74 -37.194   9.394   7.680
 1159    HG3  ARG  74           HG3      ARG  74 -37.517  10.399   9.093
 1160    HD2  ARG  74           HD2      ARG  74 -35.188  11.280   8.900
 1161    HD3  ARG  74           HD3      ARG  74 -35.037  10.396   7.383
 1162   HH11  ARG  74          HH12      ARG  74 -33.982  11.756   6.553
 1163   HH12  ARG  74          HH11      ARG  74 -33.968  13.114   5.475
 1164   HH21  ARG  74          HH22      ARG  74 -37.323  13.993   6.126
 1165   HH22  ARG  74          HH21      ARG  74 -35.887  14.401   5.233
 1166    H    ASN  75           HN       ASN  75 -39.343   7.777   8.742
 1167    HA   ASN  75           HA       ASN  75 -38.822   5.267   7.344
 1168    HB2  ASN  75           HB2      ASN  75 -41.360   6.914   7.441
 1169    HB3  ASN  75           HB3      ASN  75 -41.196   5.315   6.726
 1170   HD21  ASN  75          HD21      ASN  75 -40.799   3.535   8.117
 1171   HD22  ASN  75          HD22      ASN  75 -41.248   3.598   9.791
 1172    H    GLY  76           HN       GLY  76 -37.342   5.896   5.797
 1173    HA2  GLY  76           HA1      GLY  76 -36.681   6.578   3.717
 1174    HA3  GLY  76           HA2      GLY  76 -38.390   6.656   3.315
 1175    H    ARG  77           HN       ARG  77 -39.131   8.561   2.740
 1176    HA   ARG  77           HA       ARG  77 -37.510  10.930   3.339
 1177    HE   ARG  77           HE       ARG  77 -36.845  12.685  -0.583
 1178    HB2  ARG  77           HB2      ARG  77 -39.606  10.452   1.211
 1179    HB3  ARG  77           HB3      ARG  77 -38.769  11.979   1.458
 1180    HG2  ARG  77           HG2      ARG  77 -37.349   9.398   0.851
 1181    HG3  ARG  77           HG3      ARG  77 -37.876  10.537  -0.389
 1182    HD2  ARG  77           HD2      ARG  77 -36.098  11.323   1.909
 1183    HD3  ARG  77           HD3      ARG  77 -35.471  10.741   0.368
 1184   HH11  ARG  77          HH12      ARG  77 -35.240  12.741   2.522
 1185   HH12  ARG  77          HH11      ARG  77 -34.977  14.456   2.501
 1186   HH21  ARG  77          HH22      ARG  77 -36.508  14.921  -0.635
 1187   HH22  ARG  77          HH21      ARG  77 -35.725  15.711   0.708
 1188    H    LEU  78           HN       LEU  78 -38.328  11.212   5.450
 1189    HA   LEU  78           HA       LEU  78 -40.866  12.674   5.441
 1190    HG   LEU  78           HG       LEU  78 -41.375   9.675   5.600
 1191    HB2  LEU  78           HB2      LEU  78 -40.044  10.585   7.460
 1192    HB3  LEU  78           HB3      LEU  78 -41.295  11.772   7.772
 1193   HD11  LEU  78          HD11      LEU  78 -41.619   8.720   7.825
 1194   HD12  LEU  78          HD12      LEU  78 -42.883   9.892   8.200
 1195   HD13  LEU  78          HD13      LEU  78 -43.151   8.677   6.948
 1196   HD21  LEU  78          HD21      LEU  78 -43.447  11.681   6.482
 1197   HD22  LEU  78          HD22      LEU  78 -42.555  11.710   4.960
 1198   HD23  LEU  78          HD23      LEU  78 -43.688  10.400   5.293
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  28.518  -2.399  22.151
    2    H2   GLY   1           H2       GLY   1  28.711  -1.057  21.132
    3    H3   GLY   1           H3       GLY   1  30.064  -1.779  21.849
    4    HA2  GLY   1           HA2      GLY   1  29.905  -2.406  19.532
    5    HA3  GLY   1           HA1      GLY   1  29.716  -3.796  20.594
    6    HA   PRO   2           HA       PRO   2  26.040  -3.685  17.812
    7    HB2  PRO   2           HB2      PRO   2  26.415  -6.000  16.504
    8    HB3  PRO   2           HB3      PRO   2  27.231  -4.511  16.019
    9    HG2  PRO   2           HG2      PRO   2  28.293  -6.863  17.493
   10    HG3  PRO   2           HG3      PRO   2  29.109  -5.802  16.333
   11    HD2  PRO   2           HD2      PRO   2  29.314  -5.670  19.125
   12    HD3  PRO   2           HD3      PRO   2  29.819  -4.413  17.981
   13    H    LEU   3           HN       LEU   3  24.267  -4.188  18.904
   14    HA   LEU   3           HA       LEU   3  24.169  -6.685  20.448
   15    HG   LEU   3           HG       LEU   3  22.869  -4.276  22.937
   16    HB2  LEU   3           HB2      LEU   3  22.467  -4.201  20.478
   17    HB3  LEU   3           HB3      LEU   3  21.948  -5.680  21.258
   18   HD11  LEU   3          HD11      LEU   3  23.428  -6.627  23.152
   19   HD12  LEU   3          HD12      LEU   3  24.897  -6.379  22.211
   20   HD13  LEU   3          HD13      LEU   3  24.722  -5.614  23.790
   21   HD21  LEU   3          HD21      LEU   3  25.329  -4.034  21.218
   22   HD22  LEU   3          HD22      LEU   3  24.149  -2.763  21.538
   23   HD23  LEU   3          HD23      LEU   3  25.148  -3.391  22.850
   24    H    GLY   4           HN       GLY   4  23.465  -5.616  17.438
   25    HA2  GLY   4           HA1      GLY   4  22.145  -7.933  16.629
   26    HA3  GLY   4           HA2      GLY   4  20.919  -6.702  16.909
   27    H    SER   5           HN       SER   5  21.205  -7.741  14.420
   28    HA   SER   5           HA       SER   5  22.662  -5.679  12.910
   29    HG   SER   5           HG       SER   5  22.410  -7.801  10.049
   30    HB2  SER   5           HB2      SER   5  23.177  -8.095  12.443
   31    HB3  SER   5           HB3      SER   5  21.512  -8.297  11.903
   32    H    SER   6           HN       SER   6  21.510  -4.131  11.881
   33    HA   SER   6           HA       SER   6  18.600  -4.534  11.690
   34    HG   SER   6           HG       SER   6  21.120  -2.597  13.052
   35    HB2  SER   6           HB2      SER   6  18.467  -2.025  12.210
   36    HB3  SER   6           HB3      SER   6  18.870  -3.105  13.546
   37    H    ALA   7           HN       ALA   7  17.501  -3.085  10.196
   38    HA   ALA   7           HA       ALA   7  17.124  -2.036   8.239
   39    HB1  ALA   7           HB1      ALA   7  20.082  -1.515   8.108
   40    HB2  ALA   7           HB2      ALA   7  18.823  -0.727   7.155
   41    HB3  ALA   7           HB3      ALA   7  18.893  -0.481   8.900
   42    H    GLY   8           HN       GLY   8  20.275  -3.660   7.697
   43    HA2  GLY   8           HA1      GLY   8  19.778  -4.396   5.056
   44    HA3  GLY   8           HA2      GLY   8  20.923  -5.193   6.124
   45    H    ALA   9           HN       ALA   9  19.203  -6.230   8.032
   46    HA   ALA   9           HA       ALA   9  18.289  -8.603   6.882
   47    HB1  ALA   9           HB1      ALA   9  17.175  -9.019   9.017
   48    HB2  ALA   9           HB2      ALA   9  18.798  -8.370   9.263
   49    HB3  ALA   9           HB3      ALA   9  17.391  -7.327   9.463
   50    H    LEU  10           HN       LEU  10  16.518  -5.667   7.750
   51    HA   LEU  10           HA       LEU  10  13.957  -6.617   7.000
   52    HG   LEU  10           HG       LEU  10  13.066  -3.706   5.864
   53    HB2  LEU  10           HB2      LEU  10  14.161  -4.735   8.483
   54    HB3  LEU  10           HB3      LEU  10  15.072  -3.828   7.295
   55   HD11  LEU  10          HD11      LEU  10  11.952  -5.735   6.569
   56   HD12  LEU  10          HD12      LEU  10  11.704  -5.059   8.180
   57   HD13  LEU  10          HD13      LEU  10  10.892  -4.339   6.788
   58   HD21  LEU  10          HD21      LEU  10  12.662  -2.739   8.687
   59   HD22  LEU  10          HD22      LEU  10  13.541  -1.897   7.409
   60   HD23  LEU  10          HD23      LEU  10  11.802  -2.149   7.266
   61    H    LEU  11           HN       LEU  11  16.397  -4.658   5.376
   62    HA   LEU  11           HA       LEU  11  15.014  -4.157   2.994
   63    HG   LEU  11           HG       LEU  11  18.091  -2.472   1.785
   64    HB2  LEU  11           HB2      LEU  11  17.084  -3.015   3.814
   65    HB3  LEU  11           HB3      LEU  11  18.000  -4.444   3.391
   66   HD11  LEU  11          HD11      LEU  11  17.281  -5.175   0.734
   67   HD12  LEU  11          HD12      LEU  11  18.100  -3.914  -0.191
   68   HD13  LEU  11          HD13      LEU  11  18.909  -4.662   1.187
   69   HD21  LEU  11          HD21      LEU  11  15.725  -1.917   1.793
   70   HD22  LEU  11          HD22      LEU  11  16.273  -2.304   0.161
   71   HD23  LEU  11          HD23      LEU  11  15.339  -3.484   1.082
   72    H    ALA  12           HN       ALA  12  17.344  -6.736   3.801
   73    HA   ALA  12           HA       ALA  12  17.371  -8.068   1.357
   74    HB1  ALA  12           HB1      ALA  12  18.141 -10.017   2.566
   75    HB2  ALA  12           HB2      ALA  12  18.888  -8.571   3.245
   76    HB3  ALA  12           HB3      ALA  12  17.542  -9.348   4.086
   77    H    HIS  13           HN       HIS  13  15.156  -8.418   4.097
   78    HA   HIS  13           HA       HIS  13  13.856 -10.685   2.975
   79    HD1  HIS  13           HD1      HIS  13  11.586  -8.023   5.958
   80    HD2  HIS  13           HD2      HIS  13  11.213 -11.941   4.672
   81    HE1  HIS  13           HE1      HIS  13   9.193  -8.580   6.265
   82    HE2  HIS  13           HE2      HIS  13   9.023 -11.058   5.759
   83    HB2  HIS  13           HB2      HIS  13  13.769 -10.789   5.223
   84    HB3  HIS  13           HB3      HIS  13  13.742  -9.047   5.424
   85    H    ALA  14           HN       ALA  14  13.343  -7.234   2.932
   86    HA   ALA  14           HA       ALA  14  10.701  -7.402   1.824
   87    HB1  ALA  14           HB1      ALA  14  11.442  -5.429   3.074
   88    HB2  ALA  14           HB2      ALA  14  12.642  -5.093   1.826
   89    HB3  ALA  14           HB3      ALA  14  10.923  -5.007   1.443
   90    H    ALA  15           HN       ALA  15  13.969  -6.968   0.554
   91    HA   ALA  15           HA       ALA  15  13.258  -6.559  -2.150
   92    HB1  ALA  15           HB1      ALA  15  15.434  -5.915  -1.440
   93    HB2  ALA  15           HB2      ALA  15  15.795  -7.543  -0.865
   94    HB3  ALA  15           HB3      ALA  15  15.638  -7.233  -2.590
   95    H    SER  16           HN       SER  16  14.147  -9.444  -0.324
   96    HA   SER  16           HA       SER  16  14.152 -11.211  -2.530
   97    HG   SER  16           HG       SER  16  15.682 -10.874   0.239
   98    HB2  SER  16           HB2      SER  16  13.717 -11.834   0.401
   99    HB3  SER  16           HB3      SER  16  14.165 -12.995  -0.851
  100    H    LEU  17           HN       LEU  17  11.640 -10.043  -0.407
  101    HA   LEU  17           HA       LEU  17   9.694 -11.934  -1.409
  102    HG   LEU  17           HG       LEU  17  10.392 -11.489   1.614
  103    HB2  LEU  17           HB2      LEU  17   9.534  -9.586   0.465
  104    HB3  LEU  17           HB3      LEU  17   8.107 -10.464  -0.060
  105   HD11  LEU  17          HD11      LEU  17   7.435 -11.188   2.102
  106   HD12  LEU  17          HD12      LEU  17   8.593 -11.895   3.230
  107   HD13  LEU  17          HD13      LEU  17   8.716 -10.190   2.788
  108   HD21  LEU  17          HD21      LEU  17   9.253 -13.646   1.634
  109   HD22  LEU  17          HD22      LEU  17   8.073 -13.043   0.469
  110   HD23  LEU  17          HD23      LEU  17   9.764 -13.217   0.001
  111    H    GLY  18           HN       GLY  18  10.761  -8.699  -2.077
  112    HA2  GLY  18           HA1      GLY  18  10.427  -7.598  -4.112
  113    HA3  GLY  18           HA2      GLY  18   9.114  -8.704  -4.472
  114    H    VAL  19           HN       VAL  19   9.182  -7.103  -1.385
  115    HA   VAL  19           HA       VAL  19   6.724  -5.739  -1.952
  116    HB   VAL  19           HB       VAL  19   8.555  -5.312   0.420
  117   HG11  VAL  19          HG11      VAL  19   6.519  -4.484   1.510
  118   HG12  VAL  19          HG12      VAL  19   6.948  -3.524   0.093
  119   HG13  VAL  19          HG13      VAL  19   5.635  -4.698  -0.001
  120   HG21  VAL  19          HG21      VAL  19   6.278  -7.248   0.050
  121   HG22  VAL  19          HG22      VAL  19   7.961  -7.628   0.415
  122   HG23  VAL  19          HG23      VAL  19   6.956  -6.810   1.620
  123    H    ARG  20           HN       ARG  20   6.642  -3.957  -3.143
  124    HA   ARG  20           HA       ARG  20   8.903  -2.053  -3.000
  125    HE   ARG  20           HE       ARG  20  11.028  -4.999  -6.436
  126    HB2  ARG  20           HB2      ARG  20   7.268  -2.788  -5.437
  127    HB3  ARG  20           HB3      ARG  20   8.537  -1.571  -5.385
  128    HG2  ARG  20           HG2      ARG  20  10.183  -3.278  -4.888
  129    HG3  ARG  20           HG3      ARG  20   8.919  -4.510  -4.864
  130    HD2  ARG  20           HD2      ARG  20   8.428  -4.088  -7.199
  131    HD3  ARG  20           HD3      ARG  20   9.622  -2.794  -7.242
  132   HH11  ARG  20          HH12      ARG  20   9.045  -4.147  -9.200
  133   HH12  ARG  20          HH11      ARG  20   9.850  -5.254 -10.279
  134   HH21  ARG  20          HH22      ARG  20  12.117  -6.419  -7.860
  135   HH22  ARG  20          HH21      ARG  20  11.621  -6.517  -9.521
  136    H    LEU  21           HN       LEU  21   8.383   0.043  -2.695
  137    HA   LEU  21           HA       LEU  21   5.610   0.898  -3.141
  138    HG   LEU  21           HG       LEU  21   4.728   0.067  -1.016
  139    HB2  LEU  21           HB2      LEU  21   7.319   1.542  -0.733
  140    HB3  LEU  21           HB3      LEU  21   5.861   2.418  -1.147
  141   HD11  LEU  21          HD11      LEU  21   6.792  -1.210  -0.783
  142   HD12  LEU  21          HD12      LEU  21   7.166  -0.346   0.709
  143   HD13  LEU  21          HD13      LEU  21   5.756  -1.407   0.631
  144   HD21  LEU  21          HD21      LEU  21   5.638   1.559   1.441
  145   HD22  LEU  21          HD22      LEU  21   4.237   1.953   0.447
  146   HD23  LEU  21          HD23      LEU  21   4.277   0.441   1.355
  147    H    TRP  22           HN       TRP  22   5.435   2.720  -4.290
  148    HA   TRP  22           HA       TRP  22   7.529   4.725  -4.215
  149    HD1  TRP  22           HD1      TRP  22   6.018   4.943  -8.470
  150    HE1  TRP  22           HE1      TRP  22   4.600   3.210  -9.730
  151    HE3  TRP  22           HE3      TRP  22   7.052   0.819  -5.628
  152    HZ2  TRP  22           HZ2      TRP  22   3.993   0.457  -9.546
  153    HZ3  TRP  22           HZ3      TRP  22   6.014  -1.321  -6.240
  154    HH2  TRP  22           HH2      TRP  22   4.512  -1.499  -8.154
  155    HB2  TRP  22           HB2      TRP  22   7.847   4.797  -6.633
  156    HB3  TRP  22           HB3      TRP  22   8.273   3.203  -6.022
  157    H    VAL  23           HN       VAL  23   6.802   6.784  -5.064
  158    HA   VAL  23           HA       VAL  23   3.874   6.913  -5.085
  159    HB   VAL  23           HB       VAL  23   4.926   8.318  -3.397
  160   HG11  VAL  23          HG11      VAL  23   6.186   9.922  -5.600
  161   HG12  VAL  23          HG12      VAL  23   6.421  10.090  -3.862
  162   HG13  VAL  23          HG13      VAL  23   7.053   8.676  -4.706
  163   HG21  VAL  23          HG21      VAL  23   2.835   9.085  -4.371
  164   HG22  VAL  23          HG22      VAL  23   3.863  10.456  -3.955
  165   HG23  VAL  23          HG23      VAL  23   3.721   9.938  -5.634
  166    H    GLU  24           HN       GLU  24   2.778   7.378  -6.847
  167    HA   GLU  24           HA       GLU  24   4.253   8.425  -9.171
  168    HB2  GLU  24           HB2      GLU  24   3.627   5.938  -9.222
  169    HB3  GLU  24           HB3      GLU  24   1.958   6.477  -9.350
  170    HG2  GLU  24           HG2      GLU  24   2.908   5.945 -11.530
  171    HG3  GLU  24           HG3      GLU  24   2.468   7.650 -11.406
  172    H    GLY  25           HN       GLY  25   3.561  10.456  -9.393
  173    HA2  GLY  25           HA1      GLY  25   2.089  12.181  -9.828
  174    HA3  GLY  25           HA2      GLY  25   0.777  11.009  -9.837
  175    H    GLU  26           HN       GLU  26  -0.594  11.007  -8.170
  176    HA   GLU  26           HA       GLU  26   0.212  12.479  -5.743
  177    HB2  GLU  26           HB2      GLU  26  -2.564  11.830  -6.755
  178    HB3  GLU  26           HB3      GLU  26  -2.202  12.688  -5.266
  179    HG2  GLU  26           HG2      GLU  26  -1.104  14.453  -6.653
  180    HG3  GLU  26           HG3      GLU  26  -1.720  13.615  -8.081
  181    H    ARG  27           HN       ARG  27  -0.112   9.390  -6.924
  182    HA   ARG  27           HA       ARG  27  -1.153   8.402  -4.362
  183    HE   ARG  27           HE       ARG  27  -4.340   8.206  -5.417
  184    HB2  ARG  27           HB2      ARG  27  -2.539   8.065  -6.509
  185    HB3  ARG  27           HB3      ARG  27  -1.349   6.827  -6.900
  186    HG2  ARG  27           HG2      ARG  27  -3.327   5.889  -5.792
  187    HG3  ARG  27           HG3      ARG  27  -1.859   5.650  -4.836
  188    HD2  ARG  27           HD2      ARG  27  -3.828   6.410  -3.506
  189    HD3  ARG  27           HD3      ARG  27  -2.418   7.460  -3.386
  190   HH11  ARG  27          HH12      ARG  27  -3.354   8.614  -2.088
  191   HH12  ARG  27          HH11      ARG  27  -4.071  10.184  -1.933
  192   HH21  ARG  27          HH22      ARG  27  -5.249  10.298  -5.231
  193   HH22  ARG  27          HH21      ARG  27  -5.136  11.160  -3.726
  194    H    LEU  28           HN       LEU  28  -0.009   7.045  -3.224
  195    HA   LEU  28           HA       LEU  28   2.525   6.057  -4.127
  196    HG   LEU  28           HG       LEU  28   3.873   5.036  -2.309
  197    HB2  LEU  28           HB2      LEU  28   1.954   6.702  -1.760
  198    HB3  LEU  28           HB3      LEU  28   0.938   5.278  -1.676
  199   HD11  LEU  28          HD11      LEU  28   3.703   6.337  -0.250
  200   HD12  LEU  28          HD12      LEU  28   2.622   5.122   0.435
  201   HD13  LEU  28          HD13      LEU  28   4.298   4.708   0.073
  202   HD21  LEU  28          HD21      LEU  28   2.486   3.066  -2.670
  203   HD22  LEU  28          HD22      LEU  28   3.567   2.817  -1.298
  204   HD23  LEU  28          HD23      LEU  28   1.864   3.183  -1.023
  205    H    ARG  29           HN       ARG  29   2.870   4.238  -5.214
  206    HA   ARG  29           HA       ARG  29   0.628   2.384  -5.593
  207    HE   ARG  29           HE       ARG  29   0.088   1.726  -8.510
  208    HB2  ARG  29           HB2      ARG  29   3.257   2.444  -7.078
  209    HB3  ARG  29           HB3      ARG  29   1.798   1.579  -7.535
  210    HG2  ARG  29           HG2      ARG  29   2.113   4.573  -7.458
  211    HG3  ARG  29           HG3      ARG  29   2.156   3.568  -8.907
  212    HD2  ARG  29           HD2      ARG  29  -0.182   3.881  -7.027
  213    HD3  ARG  29           HD3      ARG  29  -0.013   4.643  -8.608
  214   HH11  ARG  29          HH12      ARG  29  -1.679   4.640  -9.306
  215   HH12  ARG  29          HH11      ARG  29  -2.931   3.800 -10.171
  216   HH21  ARG  29          HH22      ARG  29  -1.510   0.615  -9.675
  217   HH22  ARG  29          HH21      ARG  29  -2.814   1.495 -10.406
  218    H    PHE  30           HN       PHE  30   0.722   0.304  -4.920
  219    HA   PHE  30           HA       PHE  30   3.101  -0.449  -3.355
  220    HD1  PHE  30           HD1      PHE  30   2.988  -3.024  -2.176
  221    HD2  PHE  30           HD2      PHE  30   0.871   0.080  -0.174
  222    HE1  PHE  30           HE1      PHE  30   4.045  -3.670  -0.061
  223    HE2  PHE  30           HE2      PHE  30   1.926  -0.559   1.943
  224    HZ   PHE  30           HZ       PHE  30   3.521  -2.442   2.007
  225    HB2  PHE  30           HB2      PHE  30   0.599  -0.136  -2.416
  226    HB3  PHE  30           HB3      PHE  30   0.515  -1.825  -2.904
  227    H    GLN  31           HN       GLN  31   4.179  -2.221  -3.929
  228    HA   GLN  31           HA       GLN  31   2.811  -4.180  -5.655
  229    HB2  GLN  31           HB2      GLN  31   4.561  -2.930  -6.881
  230    HB3  GLN  31           HB3      GLN  31   5.751  -3.461  -5.700
  231    HG2  GLN  31           HG2      GLN  31   6.039  -4.896  -7.511
  232    HG3  GLN  31           HG3      GLN  31   5.104  -5.832  -6.348
  233   HE21  GLN  31          HE21      GLN  31   2.638  -4.268  -7.035
  234   HE22  GLN  31          HE22      GLN  31   2.116  -4.923  -8.544
  235    H    ALA  32           HN       ALA  32   2.421  -5.950  -4.510
  236    HA   ALA  32           HA       ALA  32   4.598  -7.184  -3.042
  237    HB1  ALA  32           HB1      ALA  32   3.331  -7.477  -0.996
  238    HB2  ALA  32           HB2      ALA  32   3.500  -5.761  -1.365
  239    HB3  ALA  32           HB3      ALA  32   1.974  -6.586  -1.686
  240    HA   PRO  33           HA       PRO  33   2.666 -10.663  -5.067
  241    HB2  PRO  33           HB2      PRO  33   4.482 -12.188  -3.294
  242    HB3  PRO  33           HB3      PRO  33   4.356 -12.208  -5.057
  243    HG2  PRO  33           HG2      PRO  33   6.429 -11.038  -3.864
  244    HG3  PRO  33           HG3      PRO  33   5.683 -10.316  -5.303
  245    HD2  PRO  33           HD2      PRO  33   5.323  -9.585  -2.419
  246    HD3  PRO  33           HD3      PRO  33   5.570  -8.524  -3.816
  247    HA   PRO  34           HA       PRO  34  -0.416 -12.029  -2.277
  248    HB2  PRO  34           HB2      PRO  34  -0.689 -14.674  -3.022
  249    HB3  PRO  34           HB3      PRO  34  -1.429 -13.308  -3.859
  250    HG2  PRO  34           HG2      PRO  34   1.042 -14.833  -4.538
  251    HG3  PRO  34           HG3      PRO  34  -0.191 -14.152  -5.613
  252    HD2  PRO  34           HD2      PRO  34   2.215 -12.979  -5.239
  253    HD3  PRO  34           HD3      PRO  34   0.743 -12.040  -5.544
  254    H    GLY  35           HN       GLY  35  -0.122 -12.346  -0.190
  255    HA2  GLY  35           HA1      GLY  35   0.065 -14.038   1.546
  256    HA3  GLY  35           HA2      GLY  35   1.439 -14.688   0.668
  257    H    VAL  36           HN       VAL  36   2.681 -12.100   0.168
  258    HA   VAL  36           HA       VAL  36   4.174 -12.077   2.618
  259    HB   VAL  36           HB       VAL  36   5.683 -10.555   1.558
  260   HG11  VAL  36          HG11      VAL  36   4.758 -12.636  -0.419
  261   HG12  VAL  36          HG12      VAL  36   6.370 -11.922  -0.321
  262   HG13  VAL  36          HG13      VAL  36   5.775 -12.946   0.990
  263   HG21  VAL  36          HG21      VAL  36   3.735 -10.386  -0.732
  264   HG22  VAL  36          HG22      VAL  36   4.025  -9.116   0.458
  265   HG23  VAL  36          HG23      VAL  36   5.318  -9.613  -0.629
  266    H    MET  37           HN       MET  37   1.523 -10.309   1.518
  267    HA   MET  37           HA       MET  37   2.255  -7.798   2.719
  268    HB2  MET  37           HB2      MET  37   0.824  -8.092   0.628
  269    HB3  MET  37           HB3      MET  37  -0.479  -8.572   1.706
  270    HG2  MET  37           HG2      MET  37  -0.946  -6.358   1.438
  271    HG3  MET  37           HG3      MET  37   0.054  -6.301   2.885
  272    HE1  MET  37           HE1      MET  37   3.455  -4.913   1.483
  273    HE2  MET  37           HE2      MET  37   2.622  -5.620   2.868
  274    HE3  MET  37           HE3      MET  37   3.110  -6.643   1.510
  275    H    THR  38           HN       THR  38   1.912 -10.315   4.357
  276    HA   THR  38           HA       THR  38  -0.313 -10.286   5.989
  277    HB   THR  38           HB       THR  38   1.292 -11.149   7.784
  278    HG1  THR  38           HG1      THR  38   3.052 -10.112   6.047
  279   HG21  THR  38          HG21      THR  38   1.648 -13.270   6.634
  280   HG22  THR  38          HG22      THR  38   1.340 -12.494   5.080
  281   HG23  THR  38          HG23      THR  38   0.046 -12.630   6.271
  282    HA   PRO  39           HA       PRO  39  -0.482  -6.431   8.052
  283    HB2  PRO  39           HB2      PRO  39  -1.048  -8.032  10.505
  284    HB3  PRO  39           HB3      PRO  39  -1.952  -6.682   9.806
  285    HG2  PRO  39           HG2      PRO  39  -2.836  -9.172   9.534
  286    HG3  PRO  39           HG3      PRO  39  -2.956  -8.019   8.191
  287    HD2  PRO  39           HD2      PRO  39  -1.049 -10.280   8.583
  288    HD3  PRO  39           HD3      PRO  39  -1.797  -9.680   7.090
  289    H    GLU  40           HN       GLU  40   1.333  -9.017   9.659
  290    HA   GLU  40           HA       GLU  40   2.705  -7.247  11.413
  291    HB2  GLU  40           HB2      GLU  40   3.914  -9.104  12.169
  292    HB3  GLU  40           HB3      GLU  40   2.349  -9.762  11.728
  293    HG2  GLU  40           HG2      GLU  40   3.495 -11.305  10.620
  294    HG3  GLU  40           HG3      GLU  40   3.795 -10.051   9.418
  295    H    LEU  41           HN       LEU  41   3.259  -8.394   8.164
  296    HA   LEU  41           HA       LEU  41   5.980  -7.555   7.962
  297    HG   LEU  41           HG       LEU  41   6.887  -7.436   5.796
  298    HB2  LEU  41           HB2      LEU  41   4.814  -9.183   6.418
  299    HB3  LEU  41           HB3      LEU  41   3.994  -7.789   5.724
  300   HD11  LEU  41          HD11      LEU  41   5.782  -9.687   4.127
  301   HD12  LEU  41          HD12      LEU  41   7.412  -9.018   4.020
  302   HD13  LEU  41          HD13      LEU  41   6.893  -9.854   5.485
  303   HD21  LEU  41          HD21      LEU  41   6.500  -6.810   3.461
  304   HD22  LEU  41          HD22      LEU  41   4.834  -7.373   3.591
  305   HD23  LEU  41          HD23      LEU  41   5.379  -5.997   4.552
  306    H    GLN  42           HN       GLN  42   2.858  -6.158   7.295
  307    HA   GLN  42           HA       GLN  42   3.645  -3.767   6.101
  308    HB2  GLN  42           HB2      GLN  42   1.321  -4.562   6.212
  309    HB3  GLN  42           HB3      GLN  42   1.319  -4.334   7.951
  310    HG2  GLN  42           HG2      GLN  42   0.165  -2.520   6.936
  311    HG3  GLN  42           HG3      GLN  42   1.677  -1.952   7.627
  312   HE21  GLN  42          HE21      GLN  42   1.480  -3.651   4.557
  313   HE22  GLN  42          HE22      GLN  42   1.925  -2.300   3.586
  314    H    SER  43           HN       SER  43   3.427  -4.748   9.471
  315    HA   SER  43           HA       SER  43   4.154  -2.231  10.588
  316    HG   SER  43           HG       SER  43   5.439  -3.766  13.179
  317    HB2  SER  43           HB2      SER  43   2.977  -3.989  11.867
  318    HB3  SER  43           HB3      SER  43   4.412  -5.009  11.760
  319    H    ARG  44           HN       ARG  44   5.934  -4.982   9.348
  320    HA   ARG  44           HA       ARG  44   8.477  -4.373  10.407
  321    HE   ARG  44           HE       ARG  44   7.267  -8.882  10.943
  322    HB2  ARG  44           HB2      ARG  44   7.885  -5.666   7.739
  323    HB3  ARG  44           HB3      ARG  44   9.390  -5.768   8.638
  324    HG2  ARG  44           HG2      ARG  44   6.745  -6.897   9.500
  325    HG3  ARG  44           HG3      ARG  44   8.089  -7.811   8.812
  326    HD2  ARG  44           HD2      ARG  44   9.481  -7.188  10.710
  327    HD3  ARG  44           HD3      ARG  44   8.149  -6.258  11.395
  328   HH11  ARG  44          HH12      ARG  44   9.459  -7.101  13.008
  329   HH12  ARG  44          HH11      ARG  44   9.393  -8.257  14.306
  330   HH21  ARG  44          HH22      ARG  44   7.138 -10.389  12.635
  331   HH22  ARG  44          HH21      ARG  44   8.059 -10.140  14.090
  332    H    LEU  45           HN       LEU  45   6.877  -3.492   7.388
  333    HA   LEU  45           HA       LEU  45   8.935  -1.932   6.278
  334    HG   LEU  45           HG       LEU  45   6.644  -3.910   5.432
  335    HB2  LEU  45           HB2      LEU  45   5.955  -1.535   5.950
  336    HB3  LEU  45           HB3      LEU  45   7.206  -1.002   4.845
  337   HD11  LEU  45          HD11      LEU  45   4.663  -2.959   4.431
  338   HD12  LEU  45          HD12      LEU  45   5.635  -2.201   3.170
  339   HD13  LEU  45          HD13      LEU  45   5.513  -3.962   3.247
  340   HD21  LEU  45          HD21      LEU  45   8.865  -3.492   4.559
  341   HD22  LEU  45          HD22      LEU  45   7.859  -4.272   3.335
  342   HD23  LEU  45          HD23      LEU  45   8.184  -2.540   3.237
  343    H    GLY  46           HN       GLY  46   6.176  -1.117   8.352
  344    HA2  GLY  46           HA1      GLY  46   6.196   0.372  10.139
  345    HA3  GLY  46           HA2      GLY  46   7.762   0.960   9.606
  346    H    GLY  47           HN       GLY  47   6.552   1.284   6.846
  347    HA2  GLY  47           HA1      GLY  47   5.497   2.932   5.637
  348    HA3  GLY  47           HA2      GLY  47   4.583   3.339   7.084
  349    H    ALA  48           HN       ALA  48   8.014   3.280   7.362
  350    HA   ALA  48           HA       ALA  48   8.025   6.108   7.914
  351    HB1  ALA  48           HB1      ALA  48  10.385   5.751   8.505
  352    HB2  ALA  48           HB2      ALA  48   9.311   4.619   9.329
  353    HB3  ALA  48           HB3      ALA  48  10.255   4.085   7.940
  354    H    ARG  49           HN       ARG  49   9.293   7.661   6.822
  355    HA   ARG  49           HA       ARG  49   9.103   7.346   3.996
  356    HE   ARG  49           HE       ARG  49  11.426  11.701   4.660
  357    HB2  ARG  49           HB2      ARG  49  10.063   9.664   3.945
  358    HB3  ARG  49           HB3      ARG  49   8.593   9.478   4.893
  359    HG2  ARG  49           HG2      ARG  49  10.025   9.323   6.937
  360    HG3  ARG  49           HG3      ARG  49  11.402   9.738   5.913
  361    HD2  ARG  49           HD2      ARG  49   8.925  11.431   6.080
  362    HD3  ARG  49           HD3      ARG  49  10.332  11.667   7.121
  363   HH11  ARG  49          HH12      ARG  49   8.650  13.408   5.952
  364   HH12  ARG  49          HH11      ARG  49   8.917  14.822   4.985
  365   HH21  ARG  49          HH22      ARG  49  11.788  13.557   3.402
  366   HH22  ARG  49          HH21      ARG  49  10.696  14.908   3.520
  367    H    HIS  50           HN       HIS  50  11.890   7.837   6.156
  368    HA   HIS  50           HA       HIS  50  13.838   7.727   4.138
  369    HD1  HIS  50           HD1      HIS  50  14.334   5.020   7.428
  370    HD2  HIS  50           HD2      HIS  50  13.187   8.850   8.562
  371    HE1  HIS  50           HE1      HIS  50  13.152   4.757   9.620
  372    HE2  HIS  50           HE2      HIS  50  12.438   7.071  10.286
  373    HB2  HIS  50           HB2      HIS  50  15.417   7.124   6.046
  374    HB3  HIS  50           HB3      HIS  50  14.523   8.628   6.223
  375    H    GLU  51           HN       GLU  51  12.172   5.276   5.912
  376    HA   GLU  51           HA       GLU  51  13.929   3.124   5.285
  377    HB2  GLU  51           HB2      GLU  51  11.835   3.509   7.034
  378    HB3  GLU  51           HB3      GLU  51  11.138   2.426   5.837
  379    HG2  GLU  51           HG2      GLU  51  12.106   1.191   7.686
  380    HG3  GLU  51           HG3      GLU  51  12.963   0.864   6.175
  381    H    LEU  52           HN       LEU  52  10.868   4.333   4.000
  382    HA   LEU  52           HA       LEU  52  10.664   2.320   2.006
  383    HG   LEU  52           HG       LEU  52   8.570   3.419   3.972
  384    HB2  LEU  52           HB2      LEU  52   9.311   5.004   2.259
  385    HB3  LEU  52           HB3      LEU  52   8.934   3.837   1.005
  386   HD11  LEU  52          HD11      LEU  52   6.943   4.960   3.021
  387   HD12  LEU  52          HD12      LEU  52   6.559   3.791   1.758
  388   HD13  LEU  52          HD13      LEU  52   6.184   3.424   3.441
  389   HD21  LEU  52          HD21      LEU  52   7.906   1.608   1.651
  390   HD22  LEU  52          HD22      LEU  52   9.176   1.344   2.848
  391   HD23  LEU  52          HD23      LEU  52   7.482   1.321   3.339
  392    H    ILE  53           HN       ILE  53  12.292   5.394   2.164
  393    HA   ILE  53           HA       ILE  53  12.772   5.789  -0.576
  394    HB   ILE  53           HB       ILE  53  14.478   6.496   1.817
  395   HG12  ILE  53          HG12      ILE  53  12.716   8.184   0.028
  396   HG13  ILE  53          HG13      ILE  53  12.294   7.630   1.644
  397   HG21  ILE  53          HG21      ILE  53  15.724   7.995   0.315
  398   HG22  ILE  53          HG22      ILE  53  15.928   6.296  -0.117
  399   HG23  ILE  53          HG23      ILE  53  14.847   7.321  -1.060
  400   HD11  ILE  53          HD11      ILE  53  13.015   9.955   1.635
  401   HD12  ILE  53          HD12      ILE  53  14.102   8.942   2.584
  402   HD13  ILE  53          HD13      ILE  53  14.573   9.471   0.967
  403    H    ALA  54           HN       ALA  54  14.689   4.048   1.874
  404    HA   ALA  54           HA       ALA  54  16.567   2.996   0.016
  405    HB1  ALA  54           HB1      ALA  54  17.016   3.154   2.430
  406    HB2  ALA  54           HB2      ALA  54  15.799   1.911   2.726
  407    HB3  ALA  54           HB3      ALA  54  17.257   1.518   1.812
  408    H    LEU  55           HN       LEU  55  13.406   2.065   1.023
  409    HA   LEU  55           HA       LEU  55  13.513  -0.675   0.255
  410    HG   LEU  55           HG       LEU  55   9.985  -0.939   1.454
  411    HB2  LEU  55           HB2      LEU  55  11.904   0.323   1.893
  412    HB3  LEU  55           HB3      LEU  55  11.115   1.145   0.568
  413   HD11  LEU  55          HD11      LEU  55   9.383   0.029  -0.695
  414   HD12  LEU  55          HD12      LEU  55  10.680  -0.877  -1.476
  415   HD13  LEU  55          HD13      LEU  55   9.318  -1.733  -0.751
  416   HD21  LEU  55          HD21      LEU  55  10.813  -3.079   0.639
  417   HD22  LEU  55          HD22      LEU  55  12.247  -2.280  -0.008
  418   HD23  LEU  55          HD23      LEU  55  11.964  -2.312   1.734
  419    H    LEU  56           HN       LEU  56  12.523   2.326  -1.277
  420    HA   LEU  56           HA       LEU  56  11.650   1.047  -3.674
  421    HG   LEU  56           HG       LEU  56  12.878   3.975  -4.806
  422    HB2  LEU  56           HB2      LEU  56  10.499   2.975  -3.321
  423    HB3  LEU  56           HB3      LEU  56  11.857   3.777  -2.561
  424   HD11  LEU  56          HD11      LEU  56  11.602   2.263  -5.982
  425   HD12  LEU  56          HD12      LEU  56  10.112   3.167  -5.712
  426   HD13  LEU  56          HD13      LEU  56  11.368   3.829  -6.757
  427   HD21  LEU  56          HD21      LEU  56  11.789   5.845  -3.702
  428   HD22  LEU  56          HD22      LEU  56  11.513   5.905  -5.444
  429   HD23  LEU  56          HD23      LEU  56  10.231   5.344  -4.367
  430    H    ARG  57           HN       ARG  57  14.551   2.566  -2.435
  431    HA   ARG  57           HA       ARG  57  15.960   2.775  -4.863
  432    HE   ARG  57           HE       ARG  57  18.156   5.443  -3.026
  433    HB2  ARG  57           HB2      ARG  57  16.673   3.894  -2.782
  434    HB3  ARG  57           HB3      ARG  57  17.057   2.329  -2.081
  435    HG2  ARG  57           HG2      ARG  57  18.801   1.975  -3.708
  436    HG3  ARG  57           HG3      ARG  57  18.371   3.472  -4.536
  437    HD2  ARG  57           HD2      ARG  57  19.414   3.236  -1.718
  438    HD3  ARG  57           HD3      ARG  57  20.331   3.785  -3.120
  439   HH11  ARG  57          HH12      ARG  57  20.754   4.619  -0.821
  440   HH12  ARG  57          HH11      ARG  57  20.718   6.154  -0.005
  441   HH21  ARG  57          HH22      ARG  57  18.083   7.435  -1.949
  442   HH22  ARG  57          HH21      ARG  57  19.165   7.752  -0.624
  443    H    GLN  58           HN       GLN  58  15.185   0.078  -2.847
  444    HA   GLN  58           HA       GLN  58  17.249  -1.683  -3.525
  445    HB2  GLN  58           HB2      GLN  58  16.066  -3.264  -2.393
  446    HB3  GLN  58           HB3      GLN  58  15.176  -1.855  -1.840
  447    HG2  GLN  58           HG2      GLN  58  13.568  -2.274  -3.728
  448    HG3  GLN  58           HG3      GLN  58  14.390  -3.813  -3.979
  449   HE21  GLN  58          HE21      GLN  58  11.654  -3.353  -3.259
  450   HE22  GLN  58          HE22      GLN  58  11.388  -4.097  -1.723
  451    H    LEU  59           HN       LEU  59  14.368  -0.729  -5.335
  452    HA   LEU  59           HA       LEU  59  15.154  -2.718  -7.351
  453    HG   LEU  59           HG       LEU  59  11.003  -1.636  -7.294
  454    HB2  LEU  59           HB2      LEU  59  12.929  -2.463  -8.386
  455    HB3  LEU  59           HB3      LEU  59  12.899  -3.134  -6.780
  456   HD11  LEU  59          HD11      LEU  59  11.997  -2.000  -4.962
  457   HD12  LEU  59          HD12      LEU  59  12.561  -0.338  -5.107
  458   HD13  LEU  59          HD13      LEU  59  10.841  -0.693  -5.205
  459   HD21  LEU  59          HD21      LEU  59  11.340   0.794  -7.317
  460   HD22  LEU  59          HD22      LEU  59  13.084   0.536  -7.379
  461   HD23  LEU  59          HD23      LEU  59  12.063  -0.008  -8.712
  462    H    GLN  60           HN       GLN  60  15.844   0.299  -6.699
  463    HA   GLN  60           HA       GLN  60  15.549   1.397  -9.366
  464    HB2  GLN  60           HB2      GLN  60  16.860   2.479  -6.871
  465    HB3  GLN  60           HB3      GLN  60  16.814   3.340  -8.403
  466    HG2  GLN  60           HG2      GLN  60  14.378   3.353  -8.328
  467    HG3  GLN  60           HG3      GLN  60  14.420   2.487  -6.794
  468   HE21  GLN  60          HE21      GLN  60  13.302   5.091  -7.458
  469   HE22  GLN  60          HE22      GLN  60  14.058   6.219  -6.388
  470    HA   PRO  61           HA       PRO  61  19.392  -0.131 -10.917
  471    HB2  PRO  61           HB2      PRO  61  19.627   2.376 -12.453
  472    HB3  PRO  61           HB3      PRO  61  19.478   0.714 -13.029
  473    HG2  PRO  61           HG2      PRO  61  17.457   2.464 -13.251
  474    HG3  PRO  61           HG3      PRO  61  17.172   0.743 -12.934
  475    HD2  PRO  61           HD2      PRO  61  17.106   3.059 -11.037
  476    HD3  PRO  61           HD3      PRO  61  16.029   1.650 -11.140
  477    H    SER  62           HN       SER  62  19.177   3.070  -9.540
  478    HA   SER  62           HA       SER  62  22.070   3.300  -9.347
  479    HG   SER  62           HG       SER  62  21.777   6.049  -7.554
  480    HB2  SER  62           HB2      SER  62  20.610   5.275  -9.937
  481    HB3  SER  62           HB3      SER  62  19.978   5.217  -8.291
  482    H    SER  63           HN       SER  63  22.918   2.072  -7.821
  483    HA   SER  63           HA       SER  63  21.872   2.312  -5.095
  484    HG   SER  63           HG       SER  63  21.917  -0.746  -7.392
  485    HB2  SER  63           HB2      SER  63  22.445  -0.157  -4.800
  486    HB3  SER  63           HB3      SER  63  21.007   0.196  -5.759
  487    H    GLN  64           HN       GLN  64  24.508   0.944  -7.044
  488    HA   GLN  64           HA       GLN  64  26.749   1.213  -7.010
  489    HB2  GLN  64           HB2      GLN  64  26.037   3.516  -5.213
  490    HB3  GLN  64           HB3      GLN  64  27.709   3.101  -5.566
  491    HG2  GLN  64           HG2      GLN  64  27.032   4.855  -7.042
  492    HG3  GLN  64           HG3      GLN  64  27.221   3.379  -7.981
  493   HE21  GLN  64          HE21      GLN  64  24.980   5.710  -6.731
  494   HE22  GLN  64          HE22      GLN  64  23.626   5.235  -7.697
  495    H    GLY  65           HN       GLY  65  27.849  -0.404  -6.208
  496    HA2  GLY  65           HA1      GLY  65  27.696  -0.900  -3.299
  497    HA3  GLY  65           HA2      GLY  65  27.905  -2.164  -4.505
  498    H    GLY  66           HN       GLY  66  29.620   0.763  -5.022
  499    HA2  GLY  66           HA1      GLY  66  32.141  -0.618  -4.781
  500    HA3  GLY  66           HA2      GLY  66  31.904   1.044  -5.299
  501    H    SER  67           HN       SER  67  31.069  -0.649  -2.293
  502    HA   SER  67           HA       SER  67  33.073   0.900  -0.849
  503    HG   SER  67           HG       SER  67  31.540   2.478  -1.740
  504    HB2  SER  67           HB2      SER  67  30.135   0.944  -0.088
  505    HB3  SER  67           HB3      SER  67  31.451   1.681   0.830
  506    H    LEU  68           HN       LEU  68  31.907  -1.963  -1.576
  507    HA   LEU  68           HA       LEU  68  32.063  -3.109   1.110
  508    HG   LEU  68           HG       LEU  68  29.799  -4.167   1.239
  509    HB2  LEU  68           HB2      LEU  68  31.039  -4.136  -1.519
  510    HB3  LEU  68           HB3      LEU  68  31.461  -5.251  -0.235
  511   HD11  LEU  68          HD11      LEU  68  28.179  -2.607   0.308
  512   HD12  LEU  68          HD12      LEU  68  29.816  -1.948   0.255
  513   HD13  LEU  68          HD13      LEU  68  29.069  -2.579  -1.216
  514   HD21  LEU  68          HD21      LEU  68  27.807  -5.022   0.079
  515   HD22  LEU  68          HD22      LEU  68  28.736  -5.129  -1.414
  516   HD23  LEU  68          HD23      LEU  68  29.171  -6.134  -0.029
  517    H    LEU  69           HN       LEU  69  34.063  -3.582   1.724
  518    HA   LEU  69           HA       LEU  69  36.198  -4.340   1.761
  519    HG   LEU  69           HG       LEU  69  35.629  -7.892   0.872
  520    HB2  LEU  69           HB2      LEU  69  35.179  -5.922  -0.593
  521    HB3  LEU  69           HB3      LEU  69  36.829  -6.063  -0.037
  522   HD11  LEU  69          HD11      LEU  69  35.832  -7.524   3.284
  523   HD12  LEU  69          HD12      LEU  69  37.213  -6.886   2.393
  524   HD13  LEU  69          HD13      LEU  69  35.974  -5.788   3.000
  525   HD21  LEU  69          HD21      LEU  69  33.615  -7.653   2.228
  526   HD22  LEU  69          HD22      LEU  69  33.613  -5.914   1.929
  527   HD23  LEU  69          HD23      LEU  69  33.367  -7.038   0.593
  528    H    ALA  70           HN       ALA  70  38.184  -4.686   0.021
  529    HA   ALA  70           HA       ALA  70  39.564  -3.846  -1.555
  530    HB1  ALA  70           HB1      ALA  70  37.688  -3.877  -3.114
  531    HB2  ALA  70           HB2      ALA  70  37.203  -2.271  -2.565
  532    HB3  ALA  70           HB3      ALA  70  38.743  -2.491  -3.393
  533    HA   PRO  71           HA       PRO  71  40.831  -0.094   0.470
  534    HB2  PRO  71           HB2      PRO  71  43.380  -0.359  -0.807
  535    HB3  PRO  71           HB3      PRO  71  42.958  -0.786   0.851
  536    HG2  PRO  71           HG2      PRO  71  43.663  -2.600  -1.108
  537    HG3  PRO  71           HG3      PRO  71  42.729  -2.997   0.346
  538    HD2  PRO  71           HD2      PRO  71  41.773  -2.472  -2.442
  539    HD3  PRO  71           HD3      PRO  71  41.205  -3.673  -1.263
  540    H    VAL  72           HN       VAL  72  39.220   0.614  -1.402
  541    HA   VAL  72           HA       VAL  72  40.413   1.590  -3.795
  542    HB   VAL  72           HB       VAL  72  38.124   0.877  -3.852
  543   HG11  VAL  72          HG11      VAL  72  37.443   1.325  -1.577
  544   HG12  VAL  72          HG12      VAL  72  37.539   3.065  -1.859
  545   HG13  VAL  72          HG13      VAL  72  36.322   2.102  -2.697
  546   HG21  VAL  72          HG21      VAL  72  38.335   3.860  -4.239
  547   HG22  VAL  72          HG22      VAL  72  38.703   2.610  -5.427
  548   HG23  VAL  72          HG23      VAL  72  37.043   2.844  -4.877
  549    H    ALA  73           HN       ALA  73  41.813   3.160  -3.744
  550    HA   ALA  73           HA       ALA  73  42.873   5.117  -3.370
  551    HB1  ALA  73           HB1      ALA  73  40.107   6.189  -2.820
  552    HB2  ALA  73           HB2      ALA  73  41.542   7.141  -3.202
  553    HB3  ALA  73           HB3      ALA  73  40.859   6.051  -4.408
  554    H    ARG  74           HN       ARG  74  40.392   5.982  -1.073
  555    HA   ARG  74           HA       ARG  74  41.681   5.027   1.273
  556    HE   ARG  74           HE       ARG  74  42.254  10.515  -0.934
  557    HB2  ARG  74           HB2      ARG  74  42.263   7.274   2.207
  558    HB3  ARG  74           HB3      ARG  74  43.285   6.791   0.859
  559    HG2  ARG  74           HG2      ARG  74  42.004   8.206  -0.645
  560    HG3  ARG  74           HG3      ARG  74  40.935   8.661   0.682
  561    HD2  ARG  74           HD2      ARG  74  42.707   9.783   1.820
  562    HD3  ARG  74           HD3      ARG  74  43.906   9.149   0.689
  563   HH11  ARG  74          HH12      ARG  74  43.726  11.424   2.120
  564   HH12  ARG  74          HH11      ARG  74  43.951  13.081   1.649
  565   HH21  ARG  74          HH22      ARG  74  42.560  12.693  -1.548
  566   HH22  ARG  74          HH21      ARG  74  43.275  13.808  -0.417
  567    H    ASN  75           HN       ASN  75  39.078   5.351  -0.181
  568    HA   ASN  75           HA       ASN  75  36.912   5.939   0.099
  569    HB2  ASN  75           HB2      ASN  75  37.781   5.861   2.990
  570    HB3  ASN  75           HB3      ASN  75  36.120   6.204   2.519
  571   HD21  ASN  75          HD21      ASN  75  37.181   3.982   4.047
  572   HD22  ASN  75          HD22      ASN  75  36.731   2.545   3.191
  573    H    GLY  76           HN       GLY  76  36.986   7.848  -1.025
  574    HA2  GLY  76           HA1      GLY  76  37.797  10.314   0.216
  575    HA3  GLY  76           HA2      GLY  76  37.035  10.142  -1.358
  576    H    ARG  77           HN       ARG  77  36.548  11.961   0.984
  577    HA   ARG  77           HA       ARG  77  33.880  11.137   1.796
  578    HE   ARG  77           HE       ARG  77  32.351  13.273   6.039
  579    HB2  ARG  77           HB2      ARG  77  35.522  12.065   3.446
  580    HB3  ARG  77           HB3      ARG  77  35.388  13.616   2.620
  581    HG2  ARG  77           HG2      ARG  77  32.946  13.555   3.050
  582    HG3  ARG  77           HG3      ARG  77  33.209  12.109   4.024
  583    HD2  ARG  77           HD2      ARG  77  34.779  13.425   5.437
  584    HD3  ARG  77           HD3      ARG  77  34.326  14.863   4.524
  585   HH11  ARG  77          HH12      ARG  77  33.759  16.336   5.118
  586   HH12  ARG  77          HH11      ARG  77  32.681  17.284   6.098
  587   HH21  ARG  77          HH22      ARG  77  30.935  14.496   7.340
  588   HH22  ARG  77          HH21      ARG  77  31.062  16.234   7.363
  589    H    LEU  78           HN       LEU  78  32.288  11.591   0.457
  590    HA   LEU  78           HA       LEU  78  32.336  13.997  -1.169
  591    HG   LEU  78           HG       LEU  78  32.139  12.734  -3.268
  592    HB2  LEU  78           HB2      LEU  78  30.455  11.649  -1.011
  593    HB3  LEU  78           HB3      LEU  78  30.042  13.095  -1.909
  594   HD11  LEU  78          HD11      LEU  78  33.089  10.478  -3.284
  595   HD12  LEU  78          HD12      LEU  78  33.342  11.278  -1.733
  596   HD13  LEU  78          HD13      LEU  78  32.087  10.050  -1.899
  597   HD21  LEU  78          HD21      LEU  78  29.950  12.174  -4.135
  598   HD22  LEU  78          HD22      LEU  78  31.129  10.964  -4.641
  599   HD23  LEU  78          HD23      LEU  78  30.006  10.607  -3.329
  600    H1   GLY   1           H1       GLY   1 -23.202  -6.295  -6.052
  601    H2   GLY   1           H2       GLY   1 -24.719  -6.327  -6.795
  602    H3   GLY   1           H3       GLY   1 -24.585  -6.612  -5.128
  603    HA2  GLY   1           HA2      GLY   1 -23.853  -4.365  -4.747
  604    HA3  GLY   1           HA1      GLY   1 -23.904  -4.060  -6.478
  605    HA   PRO   2           HA       PRO   2 -28.113  -3.317  -4.229
  606    HB2  PRO   2           HB2      PRO   2 -27.361  -0.463  -4.301
  607    HB3  PRO   2           HB3      PRO   2 -28.080  -1.399  -2.988
  608    HG2  PRO   2           HG2      PRO   2 -25.533  -0.580  -2.890
  609    HG3  PRO   2           HG3      PRO   2 -26.035  -2.144  -2.226
  610    HD2  PRO   2           HD2      PRO   2 -24.656  -1.545  -4.816
  611    HD3  PRO   2           HD3      PRO   2 -24.365  -2.865  -3.663
  612    H    LEU   3           HN       LEU   3 -26.254  -1.676  -6.704
  613    HA   LEU   3           HA       LEU   3 -28.405  -1.914  -8.584
  614    HG   LEU   3           HG       LEU   3 -28.094   0.612 -10.268
  615    HB2  LEU   3           HB2      LEU   3 -28.976   0.206  -7.408
  616    HB3  LEU   3           HB3      LEU   3 -27.421   0.858  -7.884
  617   HD11  LEU   3          HD11      LEU   3 -30.459   0.246 -10.778
  618   HD12  LEU   3          HD12      LEU   3 -29.741  -1.163  -9.997
  619   HD13  LEU   3          HD13      LEU   3 -30.779  -0.074  -9.073
  620   HD21  LEU   3          HD21      LEU   3 -29.638   2.512 -10.261
  621   HD22  LEU   3          HD22      LEU   3 -29.914   2.276  -8.533
  622   HD23  LEU   3          HD23      LEU   3 -28.315   2.742  -9.113
  623    H    GLY   4           HN       GLY   4 -25.756   0.433  -8.485
  624    HA2  GLY   4           HA1      GLY   4 -23.563  -0.579  -9.432
  625    HA3  GLY   4           HA2      GLY   4 -24.584  -0.898 -10.830
  626    H    SER   5           HN       SER   5 -24.374   1.882  -8.651
  627    HA   SER   5           HA       SER   5 -23.895   3.591 -10.992
  628    HG   SER   5           HG       SER   5 -26.142   4.422  -7.820
  629    HB2  SER   5           HB2      SER   5 -25.301   5.266  -9.546
  630    HB3  SER   5           HB3      SER   5 -26.132   4.014 -10.470
  631    H    SER   6           HN       SER   6 -22.088   2.434  -8.865
  632    HA   SER   6           HA       SER   6 -20.643   4.826  -8.224
  633    HG   SER   6           HG       SER   6 -23.102   3.452  -5.451
  634    HB2  SER   6           HB2      SER   6 -20.724   4.262  -5.703
  635    HB3  SER   6           HB3      SER   6 -22.122   5.073  -6.410
  636    H    ALA   7           HN       ALA   7 -20.291   2.184  -9.542
  637    HA   ALA   7           HA       ALA   7 -18.774   0.507  -9.744
  638    HB1  ALA   7           HB1      ALA   7 -16.518   0.881  -8.898
  639    HB2  ALA   7           HB2      ALA   7 -17.158   2.352  -9.632
  640    HB3  ALA   7           HB3      ALA   7 -17.104   2.193  -7.876
  641    H    GLY   8           HN       GLY   8 -20.795   0.019  -8.018
  642    HA2  GLY   8           HA1      GLY   8 -20.139  -0.644  -5.379
  643    HA3  GLY   8           HA2      GLY   8 -21.498  -1.294  -6.283
  644    H    ALA   9           HN       ALA   9 -19.912  -2.547  -8.347
  645    HA   ALA   9           HA       ALA   9 -19.451  -5.055  -7.173
  646    HB1  ALA   9           HB1      ALA   9 -18.471  -5.695  -9.318
  647    HB2  ALA   9           HB2      ALA   9 -19.953  -4.772  -9.553
  648    HB3  ALA   9           HB3      ALA   9 -18.385  -4.000  -9.795
  649    H    LEU  10           HN       LEU  10 -17.256  -2.419  -7.985
  650    HA   LEU  10           HA       LEU  10 -14.874  -3.817  -7.258
  651    HG   LEU  10           HG       LEU  10 -13.410  -1.134  -6.251
  652    HB2  LEU  10           HB2      LEU  10 -14.780  -1.963  -8.815
  653    HB3  LEU  10           HB3      LEU  10 -15.457  -0.874  -7.621
  654   HD11  LEU  10          HD11      LEU  10 -12.710  -3.334  -6.951
  655   HD12  LEU  10          HD12      LEU  10 -12.436  -2.757  -8.595
  656   HD13  LEU  10          HD13      LEU  10 -11.424  -2.170  -7.275
  657   HD21  LEU  10          HD21      LEU  10 -12.947  -0.254  -9.098
  658   HD22  LEU  10          HD22      LEU  10 -13.613   0.729  -7.796
  659   HD23  LEU  10          HD23      LEU  10 -11.942   0.174  -7.714
  660    H    LEU  11           HN       LEU  11 -16.942  -1.413  -5.690
  661    HA   LEU  11           HA       LEU  11 -15.463  -1.087  -3.341
  662    HG   LEU  11           HG       LEU  11 -18.157   1.131  -2.122
  663    HB2  LEU  11           HB2      LEU  11 -17.395   0.317  -4.176
  664    HB3  LEU  11           HB3      LEU  11 -18.470  -0.932  -3.584
  665   HD11  LEU  11          HD11      LEU  11 -17.612  -1.566  -0.892
  666   HD12  LEU  11          HD12      LEU  11 -18.210  -0.139  -0.044
  667   HD13  LEU  11          HD13      LEU  11 -19.199  -0.904  -1.288
  668   HD21  LEU  11          HD21      LEU  11 -15.743   1.345  -2.343
  669   HD22  LEU  11          HD22      LEU  11 -16.195   1.136  -0.652
  670   HD23  LEU  11          HD23      LEU  11 -15.518  -0.218  -1.557
  671    H    ALA  12           HN       ALA  12 -18.224  -3.260  -3.981
  672    HA   ALA  12           HA       ALA  12 -18.306  -4.484  -1.468
  673    HB1  ALA  12           HB1      ALA  12 -19.539  -6.289  -2.558
  674    HB2  ALA  12           HB2      ALA  12 -20.087  -4.714  -3.134
  675    HB3  ALA  12           HB3      ALA  12 -19.022  -5.698  -4.138
  676    H    HIS  13           HN       HIS  13 -16.444  -5.294  -4.351
  677    HA   HIS  13           HA       HIS  13 -15.362  -7.719  -3.375
  678    HD1  HIS  13           HD1      HIS  13 -12.239  -6.040  -6.461
  679    HD2  HIS  13           HD2      HIS  13 -13.469  -9.521  -4.543
  680    HE1  HIS  13           HE1      HIS  13 -10.293  -7.618  -6.612
  681    HE2  HIS  13           HE2      HIS  13 -11.138  -9.788  -5.646
  682    HB2  HIS  13           HB2      HIS  13 -15.369  -7.331  -5.726
  683    HB3  HIS  13           HB3      HIS  13 -14.508  -5.810  -5.552
  684    H    ALA  14           HN       ALA  14 -14.229  -4.368  -3.270
  685    HA   ALA  14           HA       ALA  14 -11.701  -5.003  -2.101
  686    HB1  ALA  14           HB1      ALA  14 -12.041  -2.945  -3.370
  687    HB2  ALA  14           HB2      ALA  14 -13.192  -2.383  -2.158
  688    HB3  ALA  14           HB3      ALA  14 -11.494  -2.596  -1.730
  689    H    ALA  15           HN       ALA  15 -14.811  -3.883  -0.839
  690    HA   ALA  15           HA       ALA  15 -14.032  -3.524   1.825
  691    HB1  ALA  15           HB1      ALA  15 -16.293  -3.320   2.349
  692    HB2  ALA  15           HB2      ALA  15 -16.192  -2.786   0.674
  693    HB3  ALA  15           HB3      ALA  15 -16.789  -4.401   1.048
  694    H    SER  16           HN       SER  16 -15.443  -6.344   0.205
  695    HA   SER  16           HA       SER  16 -15.697  -7.936   2.512
  696    HG   SER  16           HG       SER  16 -17.162  -7.594  -0.370
  697    HB2  SER  16           HB2      SER  16 -15.378  -8.830  -0.362
  698    HB3  SER  16           HB3      SER  16 -16.027  -9.794   0.964
  699    H    LEU  17           HN       LEU  17 -12.991  -7.318   0.394
  700    HA   LEU  17           HA       LEU  17 -11.443  -9.488   1.538
  701    HG   LEU  17           HG       LEU  17 -12.115  -8.988  -1.460
  702    HB2  LEU  17           HB2      LEU  17 -10.708  -7.309  -0.414
  703    HB3  LEU  17           HB3      LEU  17  -9.595  -8.547   0.135
  704   HD11  LEU  17          HD11      LEU  17  -9.198  -9.304  -2.150
  705   HD12  LEU  17          HD12      LEU  17 -10.547  -9.783  -3.179
  706   HD13  LEU  17          HD13      LEU  17 -10.304  -8.084  -2.782
  707   HD21  LEU  17          HD21      LEU  17 -11.438 -11.344  -1.522
  708   HD22  LEU  17          HD22      LEU  17 -10.116 -10.991  -0.411
  709   HD23  LEU  17          HD23      LEU  17 -11.790 -10.810   0.120
  710    H    GLY  18           HN       GLY  18 -11.949  -6.104   2.023
  711    HA2  GLY  18           HA1      GLY  18 -11.422  -4.957   3.994
  712    HA3  GLY  18           HA2      GLY  18 -10.302  -6.243   4.419
  713    H    VAL  19           HN       VAL  19 -10.187  -4.809   1.258
  714    HA   VAL  19           HA       VAL  19  -7.494  -3.895   1.684
  715    HB   VAL  19           HB       VAL  19  -9.302  -3.379  -0.691
  716   HG11  VAL  19          HG11      VAL  19  -7.209  -2.990  -1.905
  717   HG12  VAL  19          HG12      VAL  19  -7.409  -1.850  -0.577
  718   HG13  VAL  19          HG13      VAL  19  -6.302  -3.213  -0.409
  719   HG21  VAL  19          HG21      VAL  19  -7.329  -5.601  -0.173
  720   HG22  VAL  19          HG22      VAL  19  -9.074  -5.756  -0.378
  721   HG23  VAL  19          HG23      VAL  19  -8.065  -5.265  -1.740
  722    H    ARG  20           HN       ARG  20  -7.084  -2.089   2.771
  723    HA   ARG  20           HA       ARG  20  -8.949   0.183   2.485
  724    HE   ARG  20           HE       ARG  20 -11.530  -2.253   6.036
  725    HB2  ARG  20           HB2      ARG  20  -7.490  -0.674   4.993
  726    HB3  ARG  20           HB3      ARG  20  -8.545   0.725   4.844
  727    HG2  ARG  20           HG2      ARG  20 -10.447  -0.707   4.440
  728    HG3  ARG  20           HG3      ARG  20  -9.407  -2.132   4.476
  729    HD2  ARG  20           HD2      ARG  20  -8.838  -1.672   6.800
  730    HD3  ARG  20           HD3      ARG  20  -9.840  -0.221   6.768
  731   HH11  ARG  20          HH12      ARG  20  -9.455  -1.614   8.801
  732   HH12  ARG  20          HH11      ARG  20 -10.483  -2.468   9.914
  733   HH21  ARG  20          HH22      ARG  20 -12.878  -3.378   7.527
  734   HH22  ARG  20          HH21      ARG  20 -12.394  -3.475   9.200
  735    H    LEU  21           HN       LEU  21  -8.063   2.166   2.192
  736    HA   LEU  21           HA       LEU  21  -5.177   2.502   2.594
  737    HG   LEU  21           HG       LEU  21  -4.523   1.364   0.539
  738    HB2  LEU  21           HB2      LEU  21  -6.729   3.333   0.138
  739    HB3  LEU  21           HB3      LEU  21  -5.131   3.932   0.523
  740   HD11  LEU  21          HD11      LEU  21  -6.824   0.595   0.227
  741   HD12  LEU  21          HD12      LEU  21  -6.898   1.456  -1.310
  742   HD13  LEU  21          HD13      LEU  21  -5.783   0.104  -1.109
  743   HD21  LEU  21          HD21      LEU  21  -4.964   2.941  -1.992
  744   HD22  LEU  21          HD22      LEU  21  -3.563   3.070  -0.926
  745   HD23  LEU  21          HD23      LEU  21  -3.871   1.568  -1.798
  746    H    TRP  22           HN       TRP  22  -4.649   4.365   3.585
  747    HA   TRP  22           HA       TRP  22  -6.381   6.680   3.422
  748    HD1  TRP  22           HD1      TRP  22  -4.746   6.827   7.619
  749    HE1  TRP  22           HE1      TRP  22  -3.665   4.918   8.972
  750    HE3  TRP  22           HE3      TRP  22  -6.683   2.835   5.077
  751    HZ2  TRP  22           HZ2      TRP  22  -3.652   2.099   8.958
  752    HZ3  TRP  22           HZ3      TRP  22  -6.085   0.573   5.812
  753    HH2  TRP  22           HH2      TRP  22  -4.598   0.209   7.716
  754    HB2  TRP  22           HB2      TRP  22  -6.650   6.935   5.837
  755    HB3  TRP  22           HB3      TRP  22  -7.364   5.419   5.304
  756    H    VAL  23           HN       VAL  23  -5.325   8.619   4.219
  757    HA   VAL  23           HA       VAL  23  -2.416   8.304   4.181
  758    HB   VAL  23           HB       VAL  23  -3.243   9.821   2.495
  759   HG11  VAL  23          HG11      VAL  23  -4.303  12.000   3.223
  760   HG12  VAL  23          HG12      VAL  23  -5.317  10.561   3.308
  761   HG13  VAL  23          HG13      VAL  23  -4.600  11.222   4.775
  762   HG21  VAL  23          HG21      VAL  23  -1.094  10.354   3.472
  763   HG22  VAL  23          HG22      VAL  23  -1.954  11.833   3.049
  764   HG23  VAL  23          HG23      VAL  23  -1.877  11.309   4.730
  765    H    GLU  24           HN       GLU  24  -1.274   8.505   5.970
  766    HA   GLU  24           HA       GLU  24  -2.495   9.899   8.264
  767    HB2  GLU  24           HB2      GLU  24  -2.240   7.344   8.397
  768    HB3  GLU  24           HB3      GLU  24  -0.511   7.637   8.484
  769    HG2  GLU  24           HG2      GLU  24  -1.407   7.324  10.695
  770    HG3  GLU  24           HG3      GLU  24  -0.857   8.988  10.503
  771    H    GLY  25           HN       GLY  25  -1.510  11.829   8.289
  772    HA2  GLY  25           HA1      GLY  25   0.206  13.347   8.604
  773    HA3  GLY  25           HA2      GLY  25   1.332  11.996   8.692
  774    H    GLU  26           HN       GLU  26   2.687  11.728   7.046
  775    HA   GLU  26           HA       GLU  26   2.058  13.092   4.504
  776    HB2  GLU  26           HB2      GLU  26   4.722  12.150   5.574
  777    HB3  GLU  26           HB3      GLU  26   4.475  12.947   4.030
  778    HG2  GLU  26           HG2      GLU  26   3.642  14.936   5.259
  779    HG3  GLU  26           HG3      GLU  26   4.072  14.123   6.765
  780    H    ARG  27           HN       ARG  27   1.922  10.099   5.891
  781    HA   ARG  27           HA       ARG  27   2.852   8.760   3.440
  782    HE   ARG  27           HE       ARG  27   5.789   8.666   4.544
  783    HB2  ARG  27           HB2      ARG  27   4.121   8.507   5.722
  784    HB3  ARG  27           HB3      ARG  27   2.830   7.370   6.081
  785    HG2  ARG  27           HG2      ARG  27   4.903   6.347   5.161
  786    HG3  ARG  27           HG3      ARG  27   3.436   5.981   4.239
  787    HD2  ARG  27           HD2      ARG  27   5.376   6.548   2.803
  788    HD3  ARG  27           HD3      ARG  27   4.017   7.652   2.593
  789   HH11  ARG  27          HH12      ARG  27   5.522   8.216   1.078
  790   HH12  ARG  27          HH11      ARG  27   6.577   9.543   0.695
  791   HH21  ARG  27          HH22      ARG  27   7.120  10.411   4.061
  792   HH22  ARG  27          HH21      ARG  27   7.484  10.812   2.407
  793    H    LEU  28           HN       LEU  28   1.420   7.630   2.371
  794    HA   LEU  28           HA       LEU  28  -1.211   7.129   3.362
  795    HG   LEU  28           HG       LEU  28  -2.765   6.232   1.627
  796    HB2  LEU  28           HB2      LEU  28  -0.626   7.554   0.958
  797    HB3  LEU  28           HB3      LEU  28   0.147   5.984   0.912
  798   HD11  LEU  28          HD11      LEU  28  -2.498   7.420  -0.472
  799   HD12  LEU  28          HD12      LEU  28  -1.588   6.065  -1.144
  800   HD13  LEU  28          HD13      LEU  28  -3.292   5.868  -0.741
  801   HD21  LEU  28          HD21      LEU  28  -1.680   4.076   2.015
  802   HD22  LEU  28          HD22      LEU  28  -2.853   3.965   0.702
  803   HD23  LEU  28          HD23      LEU  28  -1.129   4.044   0.339
  804    H    ARG  29           HN       ARG  29  -1.894   5.427   4.477
  805    HA   ARG  29           HA       ARG  29  -0.006   3.232   4.945
  806    HE   ARG  29           HE       ARG  29   0.539   2.533   7.641
  807    HB2  ARG  29           HB2      ARG  29  -2.548   3.857   6.457
  808    HB3  ARG  29           HB3      ARG  29  -1.274   2.745   6.934
  809    HG2  ARG  29           HG2      ARG  29  -1.010   5.736   6.725
  810    HG3  ARG  29           HG3      ARG  29  -1.193   4.812   8.217
  811    HD2  ARG  29           HD2      ARG  29   1.098   4.621   6.267
  812    HD3  ARG  29           HD3      ARG  29   1.136   5.407   7.844
  813   HH11  ARG  29          HH12      ARG  29   2.592   5.140   8.792
  814   HH12  ARG  29          HH11      ARG  29   3.545   4.096   9.806
  815   HH21  ARG  29          HH22      ARG  29   1.771   1.183   8.979
  816   HH22  ARG  29          HH21      ARG  29   3.055   1.849   9.950
  817    H    PHE  30           HN       PHE  30  -0.490   1.167   4.379
  818    HA   PHE  30           HA       PHE  30  -2.986   0.809   2.861
  819    HD1  PHE  30           HD1      PHE  30  -3.236  -1.952   1.895
  820    HD2  PHE  30           HD2      PHE  30  -0.886   0.757  -0.395
  821    HE1  PHE  30           HE1      PHE  30  -4.460  -2.609  -0.135
  822    HE2  PHE  30           HE2      PHE  30  -2.113   0.113  -2.426
  823    HZ   PHE  30           HZ       PHE  30  -3.904  -1.573  -2.299
  824    HB2  PHE  30           HB2      PHE  30  -0.524   0.631   1.839
  825    HB3  PHE  30           HB3      PHE  30  -0.656  -1.007   2.462
  826    H    GLN  31           HN       GLN  31  -4.351  -0.761   3.463
  827    HA   GLN  31           HA       GLN  31  -3.347  -2.830   5.307
  828    HB2  GLN  31           HB2      GLN  31  -4.843  -1.271   6.486
  829    HB3  GLN  31           HB3      GLN  31  -6.098  -1.565   5.288
  830    HG2  GLN  31           HG2      GLN  31  -6.702  -2.874   7.117
  831    HG3  GLN  31           HG3      GLN  31  -5.966  -4.007   5.988
  832   HE21  GLN  31          HE21      GLN  31  -3.247  -2.971   6.698
  833   HE22  GLN  31          HE22      GLN  31  -2.887  -3.686   8.231
  834    H    ALA  32           HN       ALA  32  -3.250  -4.675   4.215
  835    HA   ALA  32           HA       ALA  32  -5.607  -5.586   2.792
  836    HB1  ALA  32           HB1      ALA  32  -4.354  -6.210   0.783
  837    HB2  ALA  32           HB2      ALA  32  -4.325  -4.464   1.041
  838    HB3  ALA  32           HB3      ALA  32  -2.910  -5.437   1.440
  839    HA   PRO  33           HA       PRO  33  -4.293  -9.223   5.057
  840    HB2  PRO  33           HB2      PRO  33  -6.370 -10.455   3.329
  841    HB3  PRO  33           HB3      PRO  33  -6.200 -10.494   5.087
  842    HG2  PRO  33           HG2      PRO  33  -8.072  -8.992   3.946
  843    HG3  PRO  33           HG3      PRO  33  -7.175  -8.405   5.359
  844    HD2  PRO  33           HD2      PRO  33  -6.821  -7.710   2.466
  845    HD3  PRO  33           HD3      PRO  33  -6.768  -6.653   3.894
  846    HA   PRO  34           HA       PRO  34  -1.464 -11.187   2.345
  847    HB2  PRO  34           HB2      PRO  34  -1.667 -13.806   3.223
  848    HB3  PRO  34           HB3      PRO  34  -0.670 -12.559   3.977
  849    HG2  PRO  34           HG2      PRO  34  -3.383 -13.546   4.749
  850    HG3  PRO  34           HG3      PRO  34  -2.019 -13.077   5.783
  851    HD2  PRO  34           HD2      PRO  34  -4.126 -11.458   5.411
  852    HD3  PRO  34           HD3      PRO  34  -2.475 -10.818   5.574
  853    H    GLY  35           HN       GLY  35  -1.858 -11.528   0.270
  854    HA2  GLY  35           HA1      GLY  35  -2.306 -13.290  -1.354
  855    HA3  GLY  35           HA2      GLY  35  -3.757 -13.662  -0.440
  856    H    VAL  36           HN       VAL  36  -4.580 -10.898  -0.089
  857    HA   VAL  36           HA       VAL  36  -5.984 -10.718  -2.604
  858    HB   VAL  36           HB       VAL  36  -7.357  -9.040  -1.600
  859   HG11  VAL  36          HG11      VAL  36  -6.678 -11.145   0.449
  860   HG12  VAL  36          HG12      VAL  36  -8.161 -10.193   0.402
  861   HG13  VAL  36          HG13      VAL  36  -7.798 -11.325  -0.900
  862   HG21  VAL  36          HG21      VAL  36  -5.369  -8.942   0.670
  863   HG22  VAL  36          HG22      VAL  36  -5.616  -7.693  -0.551
  864   HG23  VAL  36          HG23      VAL  36  -6.900  -8.070   0.597
  865    H    MET  37           HN       MET  37  -3.066  -9.525  -1.579
  866    HA   MET  37           HA       MET  37  -3.301  -6.890  -2.748
  867    HB2  MET  37           HB2      MET  37  -1.906  -7.456  -0.690
  868    HB3  MET  37           HB3      MET  37  -0.759  -8.198  -1.794
  869    HG2  MET  37           HG2      MET  37   0.092  -6.068  -1.419
  870    HG3  MET  37           HG3      MET  37  -0.696  -5.945  -2.987
  871    HE1  MET  37           HE1      MET  37  -3.933  -3.891  -2.133
  872    HE2  MET  37           HE2      MET  37  -2.949  -4.585  -3.422
  873    HE3  MET  37           HE3      MET  37  -3.787  -5.643  -2.288
  874    H    THR  38           HN       THR  38  -3.470  -9.500  -4.316
  875    HA   THR  38           HA       THR  38  -1.363  -9.908  -6.028
  876    HB   THR  38           HB       THR  38  -3.139 -10.490  -7.755
  877    HG1  THR  38           HG1      THR  38  -4.646  -9.164  -5.893
  878   HG21  THR  38          HG21      THR  38  -3.916 -12.454  -6.514
  879   HG22  THR  38          HG22      THR  38  -3.392 -11.708  -5.003
  880   HG23  THR  38          HG23      THR  38  -2.201 -12.155  -6.225
  881    HA   PRO  39           HA       PRO  39  -0.515  -6.215  -8.239
  882    HB2  PRO  39           HB2      PRO  39  -0.267  -7.998 -10.615
  883    HB3  PRO  39           HB3      PRO  39   0.874  -6.808  -9.974
  884    HG2  PRO  39           HG2      PRO  39   1.291  -9.399  -9.588
  885    HG3  PRO  39           HG3      PRO  39   1.618  -8.228  -8.297
  886    HD2  PRO  39           HD2      PRO  39  -0.674 -10.121  -8.603
  887    HD3  PRO  39           HD3      PRO  39   0.185  -9.614  -7.134
  888    H    GLU  40           HN       GLU  40  -2.797  -8.490  -9.716
  889    HA   GLU  40           HA       GLU  40  -3.794  -6.569 -11.573
  890    HB2  GLU  40           HB2      GLU  40  -5.340  -8.205 -12.261
  891    HB3  GLU  40           HB3      GLU  40  -3.886  -9.089 -11.835
  892    HG2  GLU  40           HG2      GLU  40  -5.200 -10.416 -10.644
  893    HG3  GLU  40           HG3      GLU  40  -5.343  -9.087  -9.494
  894    H    LEU  41           HN       LEU  41  -4.587  -7.485  -8.301
  895    HA   LEU  41           HA       LEU  41  -7.097  -6.112  -8.232
  896    HG   LEU  41           HG       LEU  41  -8.109  -5.924  -6.014
  897    HB2  LEU  41           HB2      LEU  41  -6.495  -7.972  -6.694
  898    HB3  LEU  41           HB3      LEU  41  -5.314  -6.925  -5.934
  899   HD11  LEU  41          HD11      LEU  41  -7.228  -8.138  -4.165
  900   HD12  LEU  41          HD12      LEU  41  -8.742  -7.239  -4.060
  901   HD13  LEU  41          HD13      LEU  41  -8.429  -8.280  -5.448
  902   HD21  LEU  41          HD21      LEU  41  -7.511  -5.121  -3.783
  903   HD22  LEU  41          HD22      LEU  41  -5.966  -5.965  -3.887
  904   HD23  LEU  41          HD23      LEU  41  -6.312  -4.623  -4.978
  905    H    GLN  42           HN       GLN  42  -3.763  -5.320  -7.528
  906    HA   GLN  42           HA       GLN  42  -4.119  -2.753  -6.456
  907    HB2  GLN  42           HB2      GLN  42  -1.952  -3.906  -6.490
  908    HB3  GLN  42           HB3      GLN  42  -1.916  -3.814  -8.245
  909    HG2  GLN  42           HG2      GLN  42  -0.464  -2.146  -7.343
  910    HG3  GLN  42           HG3      GLN  42  -1.858  -1.353  -8.073
  911   HE21  GLN  42          HE21      GLN  42  -1.985  -2.960  -4.974
  912   HE22  GLN  42          HE22      GLN  42  -2.178  -1.531  -4.025
  913    H    SER  43           HN       SER  43  -4.093  -3.967  -9.747
  914    HA   SER  43           HA       SER  43  -4.328  -1.430 -11.013
  915    HG   SER  43           HG       SER  43  -5.655  -3.084 -13.719
  916    HB2  SER  43           HB2      SER  43  -3.449  -3.435 -12.161
  917    HB3  SER  43           HB3      SER  43  -5.039  -4.186 -12.051
  918    H    ARG  44           HN       ARG  44  -6.595  -3.735  -9.661
  919    HA   ARG  44           HA       ARG  44  -8.974  -2.743 -10.811
  920    HE   ARG  44           HE       ARG  44  -8.575  -7.406 -11.044
  921    HB2  ARG  44           HB2      ARG  44  -8.654  -3.939  -8.050
  922    HB3  ARG  44           HB3      ARG  44 -10.144  -3.822  -8.971
  923    HG2  ARG  44           HG2      ARG  44  -7.747  -5.485  -9.698
  924    HG3  ARG  44           HG3      ARG  44  -9.251  -6.075  -8.992
  925    HD2  ARG  44           HD2      ARG  44 -10.480  -5.345 -10.960
  926    HD3  ARG  44           HD3      ARG  44  -8.993  -4.708 -11.667
  927   HH11  ARG  44          HH12      ARG  44 -10.481  -5.441 -13.240
  928   HH12  ARG  44          HH11      ARG  44 -10.581  -6.679 -14.461
  929   HH21  ARG  44          HH22      ARG  44  -8.679  -9.018 -12.638
  930   HH22  ARG  44          HH21      ARG  44  -9.527  -8.709 -14.134
  931    H    LEU  45           HN       LEU  45  -7.341  -2.010  -7.756
  932    HA   LEU  45           HA       LEU  45  -9.067  -0.023  -6.814
  933    HG   LEU  45           HG       LEU  45  -7.148  -2.287  -5.779
  934    HB2  LEU  45           HB2      LEU  45  -6.065  -0.135  -6.467
  935    HB3  LEU  45           HB3      LEU  45  -7.202   0.709  -5.436
  936   HD11  LEU  45          HD11      LEU  45  -5.085  -1.533  -4.744
  937   HD12  LEU  45          HD12      LEU  45  -6.002  -0.582  -3.577
  938   HD13  LEU  45          HD13      LEU  45  -6.113  -2.342  -3.560
  939   HD21  LEU  45          HD21      LEU  45  -9.320  -1.436  -5.107
  940   HD22  LEU  45          HD22      LEU  45  -8.549  -2.262  -3.754
  941   HD23  LEU  45          HD23      LEU  45  -8.576  -0.499  -3.812
  942    H    GLY  46           HN       GLY  46  -6.198   0.188  -8.861
  943    HA2  GLY  46           HA1      GLY  46  -5.912   1.558 -10.716
  944    HA3  GLY  46           HA2      GLY  46  -7.364   2.436 -10.267
  945    H    GLY  47           HN       GLY  47  -6.218   2.728  -7.479
  946    HA2  GLY  47           HA1      GLY  47  -4.833   4.169  -6.319
  947    HA3  GLY  47           HA2      GLY  47  -3.889   4.378  -7.787
  948    H    ALA  48           HN       ALA  48  -7.205   4.918  -8.256
  949    HA   ALA  48           HA       ALA  48  -6.764   7.686  -8.820
  950    HB1  ALA  48           HB1      ALA  48  -9.147   7.739  -9.382
  951    HB2  ALA  48           HB2      ALA  48  -8.338   6.370 -10.142
  952    HB3  ALA  48           HB3      ALA  48  -9.341   6.119  -8.712
  953    H    ARG  49           HN       ARG  49  -7.696   9.482  -7.779
  954    HA   ARG  49           HA       ARG  49  -7.580   9.261  -4.950
  955    HE   ARG  49           HE       ARG  49  -9.193  13.972  -5.963
  956    HB2  ARG  49           HB2      ARG  49  -8.255  11.712  -5.021
  957    HB3  ARG  49           HB3      ARG  49  -6.749  11.271  -5.809
  958    HG2  ARG  49           HG2      ARG  49  -7.988  11.233  -7.977
  959    HG3  ARG  49           HG3      ARG  49  -9.382  11.886  -7.116
  960    HD2  ARG  49           HD2      ARG  49  -6.672  13.190  -7.182
  961    HD3  ARG  49           HD3      ARG  49  -7.990  13.598  -8.277
  962   HH11  ARG  49          HH12      ARG  49  -5.923  14.859  -6.892
  963   HH12  ARG  49          HH11      ARG  49  -5.914  16.307  -5.931
  964   HH21  ARG  49          HH22      ARG  49  -9.160  15.857  -4.672
  965   HH22  ARG  49          HH21      ARG  49  -7.742  16.865  -4.664
  966    H    HIS  50           HN       HIS  50 -10.315  10.044  -7.124
  967    HA   HIS  50           HA       HIS  50 -12.197  10.272  -5.038
  968    HD1  HIS  50           HD1      HIS  50 -13.489   7.623  -8.202
  969    HD2  HIS  50           HD2      HIS  50 -11.523  11.037  -9.543
  970    HE1  HIS  50           HE1      HIS  50 -12.727   7.100 -10.537
  971    HE2  HIS  50           HE2      HIS  50 -11.388   9.112 -11.260
  972    HB2  HIS  50           HB2      HIS  50 -13.933   9.939  -6.821
  973    HB3  HIS  50           HB3      HIS  50 -12.782  11.224  -7.147
  974    H    GLU  51           HN       GLU  51 -10.963   7.504  -6.743
  975    HA   GLU  51           HA       GLU  51 -13.055   5.731  -5.976
  976    HB2  GLU  51           HB2      GLU  51 -10.786   5.598  -7.647
  977    HB3  GLU  51           HB3      GLU  51 -10.579   4.345  -6.431
  978    HG2  GLU  51           HG2      GLU  51 -11.702   3.399  -8.310
  979    HG3  GLU  51           HG3      GLU  51 -12.848   3.510  -6.974
  980    H    LEU  52           HN       LEU  52  -9.887   6.562  -4.677
  981    HA   LEU  52           HA       LEU  52 -10.026   4.601  -2.604
  982    HG   LEU  52           HG       LEU  52  -7.822   5.185  -4.661
  983    HB2  LEU  52           HB2      LEU  52  -8.187   6.950  -3.013
  984    HB3  LEU  52           HB3      LEU  52  -8.019   5.786  -1.710
  985   HD11  LEU  52          HD11      LEU  52  -5.908   6.390  -3.804
  986   HD12  LEU  52          HD12      LEU  52  -5.749   5.232  -2.482
  987   HD13  LEU  52          HD13      LEU  52  -5.481   4.711  -4.146
  988   HD21  LEU  52          HD21      LEU  52  -7.478   3.370  -2.279
  989   HD22  LEU  52          HD22      LEU  52  -8.808   3.318  -3.436
  990   HD23  LEU  52          HD23      LEU  52  -7.167   2.938  -3.960
  991    H    ILE  53           HN       ILE  53 -11.044   7.914  -2.946
  992    HA   ILE  53           HA       ILE  53 -11.468   8.511  -0.234
  993    HB   ILE  53           HB       ILE  53 -13.054   9.386  -2.655
  994   HG12  ILE  53          HG12      ILE  53 -10.947  10.811  -1.014
  995   HG13  ILE  53          HG13      ILE  53 -10.688  10.097  -2.602
  996   HG21  ILE  53          HG21      ILE  53 -13.999  11.142  -1.248
  997   HG22  ILE  53          HG22      ILE  53 -14.426   9.544  -0.635
  998   HG23  ILE  53          HG23      ILE  53 -13.157  10.483   0.156
  999   HD11  ILE  53          HD11      ILE  53 -10.970  12.513  -2.718
 1000   HD12  ILE  53          HD12      ILE  53 -12.249  11.664  -3.585
 1001   HD13  ILE  53          HD13      ILE  53 -12.573  12.359  -1.997
 1002    H    ALA  54           HN       ALA  54 -13.616   6.983  -2.628
 1003    HA   ALA  54           HA       ALA  54 -15.681   6.356  -0.784
 1004    HB1  ALA  54           HB1      ALA  54 -16.053   6.433  -3.205
 1005    HB2  ALA  54           HB2      ALA  54 -15.005   5.030  -3.409
 1006    HB3  ALA  54           HB3      ALA  54 -16.526   4.873  -2.531
 1007    H    LEU  55           HN       LEU  55 -12.821   4.666  -1.908
 1008    HA   LEU  55           HA       LEU  55 -13.237   2.166  -0.728
 1009    HG   LEU  55           HG       LEU  55  -9.801   1.313  -1.849
 1010    HB2  LEU  55           HB2      LEU  55 -11.466   2.864  -2.400
 1011    HB3  LEU  55           HB3      LEU  55 -10.590   3.585  -1.068
 1012   HD11  LEU  55          HD11      LEU  55  -9.135   2.245   0.297
 1013   HD12  LEU  55          HD12      LEU  55 -10.589   1.584   1.047
 1014   HD13  LEU  55          HD13      LEU  55  -9.357   0.498   0.404
 1015   HD21  LEU  55          HD21      LEU  55 -11.016  -0.634  -1.031
 1016   HD22  LEU  55          HD22      LEU  55 -12.313   0.411  -0.451
 1017   HD23  LEU  55          HD23      LEU  55 -11.984   0.291  -2.181
 1018    H    LEU  56           HN       LEU  56 -11.650   5.079   0.542
 1019    HA   LEU  56           HA       LEU  56 -11.105   4.005   3.109
 1020    HG   LEU  56           HG       LEU  56 -11.740   6.937   4.480
 1021    HB2  LEU  56           HB2      LEU  56  -9.862   5.893   2.360
 1022    HB3  LEU  56           HB3      LEU  56 -11.317   6.817   2.050
 1023   HD11  LEU  56          HD11      LEU  56 -10.602   4.882   5.148
 1024   HD12  LEU  56          HD12      LEU  56  -9.049   5.602   4.723
 1025   HD13  LEU  56          HD13      LEU  56  -9.999   6.274   6.048
 1026   HD21  LEU  56          HD21      LEU  56 -10.505   8.702   3.285
 1027   HD22  LEU  56          HD22      LEU  56 -10.004   8.548   4.969
 1028   HD23  LEU  56          HD23      LEU  56  -8.993   7.888   3.685
 1029    H    ARG  57           HN       ARG  57 -13.842   5.702   1.721
 1030    HA   ARG  57           HA       ARG  57 -15.217   6.247   4.121
 1031    HE   ARG  57           HE       ARG  57 -17.031   9.163   2.225
 1032    HB2  ARG  57           HB2      ARG  57 -15.725   7.355   1.993
 1033    HB3  ARG  57           HB3      ARG  57 -16.306   5.836   1.330
 1034    HG2  ARG  57           HG2      ARG  57 -18.147   5.807   2.887
 1035    HG3  ARG  57           HG3      ARG  57 -17.526   7.248   3.693
 1036    HD2  ARG  57           HD2      ARG  57 -18.469   7.089   0.830
 1037    HD3  ARG  57           HD3      ARG  57 -19.359   7.805   2.175
 1038   HH11  ARG  57          HH12      ARG  57 -19.321   8.500  -0.351
 1039   HH12  ARG  57          HH11      ARG  57 -18.929   9.952  -1.230
 1040   HH21  ARG  57          HH22      ARG  57 -16.533  11.052   1.086
 1041   HH22  ARG  57          HH21      ARG  57 -17.347  11.412  -0.405
 1042    H    GLN  58           HN       GLN  58 -14.801   3.331   2.327
 1043    HA   GLN  58           HA       GLN  58 -17.170   1.998   3.024
 1044    HB2  GLN  58           HB2      GLN  58 -16.271   0.151   2.032
 1045    HB3  GLN  58           HB3      GLN  58 -15.208   1.376   1.358
 1046    HG2  GLN  58           HG2      GLN  58 -13.628   0.861   3.265
 1047    HG3  GLN  58           HG3      GLN  58 -14.647  -0.536   3.604
 1048   HE21  GLN  58          HE21      GLN  58 -11.874  -0.454   2.812
 1049   HE22  GLN  58          HE22      GLN  58 -11.746  -1.346   1.339
 1050    H    LEU  59           HN       LEU  59 -14.197   2.501   4.847
 1051    HA   LEU  59           HA       LEU  59 -15.312   0.776   6.937
 1052    HG   LEU  59           HG       LEU  59 -11.042   1.164   6.749
 1053    HB2  LEU  59           HB2      LEU  59 -13.051   0.757   7.974
 1054    HB3  LEU  59           HB3      LEU  59 -13.162  -0.032   6.425
 1055   HD11  LEU  59          HD11      LEU  59 -11.858   0.803   4.499
 1056   HD12  LEU  59          HD12      LEU  59 -12.721   2.340   4.552
 1057   HD13  LEU  59          HD13      LEU  59 -10.960   2.316   4.620
 1058   HD21  LEU  59          HD21      LEU  59 -10.924   3.587   6.732
 1059   HD22  LEU  59          HD22      LEU  59 -12.686   3.688   6.754
 1060   HD23  LEU  59          HD23      LEU  59 -11.824   3.011   8.135
 1061    H    GLN  60           HN       GLN  60 -15.489   3.850   6.148
 1062    HA   GLN  60           HA       GLN  60 -14.987   5.011   8.759
 1063    HB2  GLN  60           HB2      GLN  60 -16.128   6.171   6.211
 1064    HB3  GLN  60           HB3      GLN  60 -15.938   7.090   7.698
 1065    HG2  GLN  60           HG2      GLN  60 -13.513   6.654   7.624
 1066    HG3  GLN  60           HG3      GLN  60 -13.738   5.811   6.091
 1067   HE21  GLN  60          HE21      GLN  60 -12.193   8.202   6.778
 1068   HE22  GLN  60          HE22      GLN  60 -12.762   9.443   5.716
 1069    HA   PRO  61           HA       PRO  61 -19.031   4.268  10.363
 1070    HB2  PRO  61           HB2      PRO  61 -18.823   6.777  11.868
 1071    HB3  PRO  61           HB3      PRO  61 -18.882   5.117  12.466
 1072    HG2  PRO  61           HG2      PRO  61 -16.636   6.597  12.584
 1073    HG3  PRO  61           HG3      PRO  61 -16.600   4.843  12.322
 1074    HD2  PRO  61           HD2      PRO  61 -16.293   7.061  10.332
 1075    HD3  PRO  61           HD3      PRO  61 -15.392   5.535  10.467
 1076    H    SER  62           HN       SER  62 -18.238   7.205   8.730
 1077    HA   SER  62           HA       SER  62 -21.047   7.991   8.594
 1078    HG   SER  62           HG       SER  62 -20.082  11.214   7.512
 1079    HB2  SER  62           HB2      SER  62 -19.374   9.739   9.123
 1080    HB3  SER  62           HB3      SER  62 -18.607   9.452   7.560
 1081    H    SER  63           HN       SER  63 -22.090   6.818   7.140
 1082    HA   SER  63           HA       SER  63 -21.067   6.790   4.393
 1083    HG   SER  63           HG       SER  63 -21.573   3.827   6.795
 1084    HB2  SER  63           HB2      SER  63 -22.062   4.436   4.227
 1085    HB3  SER  63           HB3      SER  63 -20.558   4.593   5.137
 1086    H    GLN  64           HN       GLN  64 -23.863   6.105   6.470
 1087    HA   GLN  64           HA       GLN  64 -26.022   6.738   6.402
 1088    HB2  GLN  64           HB2      GLN  64 -24.886   8.793   4.518
 1089    HB3  GLN  64           HB3      GLN  64 -26.601   8.733   4.897
 1090    HG2  GLN  64           HG2      GLN  64 -25.586  10.372   6.290
 1091    HG3  GLN  64           HG3      GLN  64 -26.021   8.996   7.300
 1092   HE21  GLN  64          HE21      GLN  64 -23.420  10.819   5.887
 1093   HE22  GLN  64          HE22      GLN  64 -22.149  10.145   6.862
 1094    H    GLY  65           HN       GLY  65 -27.035   4.971   5.653
 1095    HA2  GLY  65           HA1      GLY  65 -27.179   4.557   2.754
 1096    HA3  GLY  65           HA2      GLY  65 -27.623   3.385   3.985
 1097    H    GLY  66           HN       GLY  66 -28.726   6.652   4.277
 1098    HA2  GLY  66           HA1      GLY  66 -31.471   5.752   4.168
 1099    HA3  GLY  66           HA2      GLY  66 -30.915   7.367   4.577
 1100    H    SER  67           HN       SER  67 -30.491   5.349   1.683
 1101    HA   SER  67           HA       SER  67 -32.159   7.150   0.126
 1102    HG   SER  67           HG       SER  67 -30.506   8.615   0.874
 1103    HB2  SER  67           HB2      SER  67 -29.239   6.696  -0.533
 1104    HB3  SER  67           HB3      SER  67 -30.395   7.542  -1.560
 1105    H    LEU  68           HN       LEU  68 -31.836   4.253   1.028
 1106    HA   LEU  68           HA       LEU  68 -32.008   2.989  -1.622
 1107    HG   LEU  68           HG       LEU  68 -29.904   1.666  -1.644
 1108    HB2  LEU  68           HB2      LEU  68 -31.211   1.900   1.069
 1109    HB3  LEU  68           HB3      LEU  68 -31.770   0.833  -0.202
 1110   HD11  LEU  68          HD11      LEU  68 -28.026   2.812  -0.561
 1111   HD12  LEU  68          HD12      LEU  68 -29.485   3.804  -0.578
 1112   HD13  LEU  68          HD13      LEU  68 -28.989   2.991   0.906
 1113   HD21  LEU  68          HD21      LEU  68 -28.172   0.379  -0.495
 1114   HD22  LEU  68          HD22      LEU  68 -29.130   0.414   0.987
 1115   HD23  LEU  68          HD23      LEU  68 -29.736  -0.434  -0.438
 1116    H    LEU  69           HN       LEU  69 -34.022   2.714  -2.263
 1117    HA   LEU  69           HA       LEU  69 -36.258   2.358  -2.303
 1118    HG   LEU  69           HG       LEU  69 -36.362  -1.134  -1.140
 1119    HB2  LEU  69           HB2      LEU  69 -35.558   0.823   0.188
 1120    HB3  LEU  69           HB3      LEU  69 -37.213   0.947  -0.375
 1121   HD11  LEU  69          HD11      LEU  69 -36.527  -0.920  -3.562
 1122   HD12  LEU  69          HD12      LEU  69 -37.744   0.057  -2.741
 1123   HD13  LEU  69          HD13      LEU  69 -36.312   0.825  -3.426
 1124   HD21  LEU  69          HD21      LEU  69 -34.353  -1.329  -2.530
 1125   HD22  LEU  69          HD22      LEU  69 -34.029   0.386  -2.289
 1126   HD23  LEU  69          HD23      LEU  69 -33.987  -0.722  -0.916
 1127    H    ALA  70           HN       ALA  70 -38.220   2.332  -0.342
 1128    HA   ALA  70           HA       ALA  70 -39.603   3.747   0.758
 1129    HB1  ALA  70           HB1      ALA  70 -37.921   3.486   2.535
 1130    HB2  ALA  70           HB2      ALA  70 -37.065   4.898   1.911
 1131    HB3  ALA  70           HB3      ALA  70 -38.691   5.074   2.568
 1132    HA   PRO  71           HA       PRO  71 -38.887   7.112  -2.299
 1133    HB2  PRO  71           HB2      PRO  71 -41.082   6.768  -3.778
 1134    HB3  PRO  71           HB3      PRO  71 -39.698   5.677  -3.937
 1135    HG2  PRO  71           HG2      PRO  71 -42.277   5.269  -2.484
 1136    HG3  PRO  71           HG3      PRO  71 -41.353   4.121  -3.465
 1137    HD2  PRO  71           HD2      PRO  71 -41.295   4.254  -0.697
 1138    HD3  PRO  71           HD3      PRO  71 -40.042   3.507  -1.707
 1139    H    VAL  72           HN       VAL  72 -40.428   7.024   0.400
 1140    HA   VAL  72           HA       VAL  72 -42.723   8.673  -0.030
 1141    HB   VAL  72           HB       VAL  72 -41.298   8.107   2.572
 1142   HG11  VAL  72          HG11      VAL  72 -42.765  10.046   2.691
 1143   HG12  VAL  72          HG12      VAL  72 -44.088   9.104   2.003
 1144   HG13  VAL  72          HG13      VAL  72 -43.452   8.696   3.594
 1145   HG21  VAL  72          HG21      VAL  72 -43.621   6.685   1.274
 1146   HG22  VAL  72          HG22      VAL  72 -41.994   6.038   1.495
 1147   HG23  VAL  72          HG23      VAL  72 -43.007   6.373   2.899
 1148    H    ALA  73           HN       ALA  73 -42.178  10.538  -1.003
 1149    HA   ALA  73           HA       ALA  73 -40.982  12.540   0.747
 1150    HB1  ALA  73           HB1      ALA  73 -40.108  12.153  -2.120
 1151    HB2  ALA  73           HB2      ALA  73 -39.643  13.498  -1.077
 1152    HB3  ALA  73           HB3      ALA  73 -39.126  11.858  -0.684
 1153    H    ARG  74           HN       ARG  74 -42.025  12.366  -2.645
 1154    HA   ARG  74           HA       ARG  74 -44.630  13.251  -2.298
 1155    HE   ARG  74           HE       ARG  74 -42.826  16.900  -0.830
 1156    HB2  ARG  74           HB2      ARG  74 -44.557  15.577  -2.994
 1157    HB3  ARG  74           HB3      ARG  74 -43.649  15.362  -1.506
 1158    HG2  ARG  74           HG2      ARG  74 -41.562  15.328  -2.854
 1159    HG3  ARG  74           HG3      ARG  74 -42.536  15.702  -4.279
 1160    HD2  ARG  74           HD2      ARG  74 -41.544  17.718  -3.341
 1161    HD3  ARG  74           HD3      ARG  74 -43.303  17.759  -3.222
 1162   HH11  ARG  74          HH12      ARG  74 -40.855  19.152  -2.638
 1163   HH12  ARG  74          HH11      ARG  74 -40.258  19.968  -1.220
 1164   HH21  ARG  74          HH22      ARG  74 -42.054  17.939   1.034
 1165   HH22  ARG  74          HH21      ARG  74 -40.976  19.301   0.878
 1166    H    ASN  75           HN       ASN  75 -41.764  13.182  -4.303
 1167    HA   ASN  75           HA       ASN  75 -43.281  13.372  -6.754
 1168    HB2  ASN  75           HB2      ASN  75 -40.925  14.294  -6.440
 1169    HB3  ASN  75           HB3      ASN  75 -40.366  12.623  -6.503
 1170   HD21  ASN  75          HD21      ASN  75 -41.778  15.250  -8.277
 1171   HD22  ASN  75          HD22      ASN  75 -41.525  14.587  -9.860
 1172    H    GLY  76           HN       GLY  76 -44.605  11.550  -6.038
 1173    HA2  GLY  76           HA1      GLY  76 -43.777   9.157  -7.416
 1174    HA3  GLY  76           HA2      GLY  76 -43.974   8.946  -5.678
 1175    H    ARG  77           HN       ARG  77 -45.785  11.126  -7.722
 1176    HA   ARG  77           HA       ARG  77 -48.240   9.640  -7.040
 1177    HE   ARG  77           HE       ARG  77 -50.395  12.715  -5.002
 1178    HB2  ARG  77           HB2      ARG  77 -47.922  12.616  -7.490
 1179    HB3  ARG  77           HB3      ARG  77 -49.408  11.789  -7.039
 1180    HG2  ARG  77           HG2      ARG  77 -48.505  11.209  -4.893
 1181    HG3  ARG  77           HG3      ARG  77 -46.918  11.834  -5.344
 1182    HD2  ARG  77           HD2      ARG  77 -48.014  13.446  -3.942
 1183    HD3  ARG  77           HD3      ARG  77 -47.930  14.084  -5.583
 1184   HH11  ARG  77          HH12      ARG  77 -48.687  15.778  -4.811
 1185   HH12  ARG  77          HH11      ARG  77 -50.148  16.717  -4.729
 1186   HH21  ARG  77          HH22      ARG  77 -52.311  13.974  -4.897
 1187   HH22  ARG  77          HH21      ARG  77 -52.188  15.708  -4.775
 1188    H    LEU  78           HN       LEU  78 -46.549  11.586  -9.455
 1189    HA   LEU  78           HA       LEU  78 -48.409  10.568 -11.498
 1190    HG   LEU  78           HG       LEU  78 -48.663  14.202 -12.192
 1191    HB2  LEU  78           HB2      LEU  78 -46.560  12.957 -11.555
 1192    HB3  LEU  78           HB3      LEU  78 -47.423  12.369 -12.958
 1193   HD11  LEU  78          HD11      LEU  78 -50.795  13.266 -11.488
 1194   HD12  LEU  78          HD12      LEU  78 -50.049  12.289 -12.750
 1195   HD13  LEU  78          HD13      LEU  78 -50.002  11.748 -11.070
 1196   HD21  LEU  78          HD21      LEU  78 -49.387  14.525  -9.887
 1197   HD22  LEU  78          HD22      LEU  78 -48.531  13.060  -9.402
 1198   HD23  LEU  78          HD23      LEU  78 -47.628  14.453  -9.999
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  17.211  -0.533  14.414
    2    H2   GLY   1           H2       GLY   1  16.770  -1.744  15.518
    3    H3   GLY   1           H3       GLY   1  18.407  -1.448  15.195
    4    HA2  GLY   1           HA2      GLY   1  16.550   0.479  16.471
    5    HA3  GLY   1           HA1      GLY   1  17.702  -0.525  17.339
    6    HA   PRO   2           HA       PRO   2  19.732   3.557  16.229
    7    HB2  PRO   2           HB2      PRO   2  20.590   4.108  18.753
    8    HB3  PRO   2           HB3      PRO   2  19.022   4.629  18.127
    9    HG2  PRO   2           HG2      PRO   2  19.686   2.292  19.875
   10    HG3  PRO   2           HG3      PRO   2  18.331   3.431  19.994
   11    HD2  PRO   2           HD2      PRO   2  18.061   0.960  18.928
   12    HD3  PRO   2           HD3      PRO   2  17.114   2.349  18.355
   13    H    LEU   3           HN       LEU   3  20.659   0.849  18.265
   14    HA   LEU   3           HA       LEU   3  23.477   1.200  17.559
   15    HG   LEU   3           HG       LEU   3  22.140   1.611  20.340
   16    HB2  LEU   3           HB2      LEU   3  22.153  -0.710  19.494
   17    HB3  LEU   3           HB3      LEU   3  23.883  -0.589  19.219
   18   HD11  LEU   3          HD11      LEU   3  24.144  -0.169  21.718
   19   HD12  LEU   3          HD12      LEU   3  23.235   1.150  22.454
   20   HD13  LEU   3          HD13      LEU   3  22.392  -0.285  21.871
   21   HD21  LEU   3          HD21      LEU   3  24.304   2.696  20.839
   22   HD22  LEU   3          HD22      LEU   3  25.126   1.425  19.932
   23   HD23  LEU   3          HD23      LEU   3  24.010   2.515  19.111
   24    H    GLY   4           HN       GLY   4  23.887   0.409  15.622
   25    HA2  GLY   4           HA1      GLY   4  24.205  -1.480  14.168
   26    HA3  GLY   4           HA2      GLY   4  22.767  -2.214  14.880
   27    H    SER   5           HN       SER   5  20.975  -2.077  13.711
   28    HA   SER   5           HA       SER   5  19.921   0.280  12.693
   29    HG   SER   5           HG       SER   5  21.611  -1.578   9.468
   30    HB2  SER   5           HB2      SER   5  20.111  -0.119  10.234
   31    HB3  SER   5           HB3      SER   5  21.661   0.253  10.990
   32    H    SER   6           HN       SER   6  20.201  -3.195  12.118
   33    HA   SER   6           HA       SER   6  18.686  -4.852  11.788
   34    HG   SER   6           HG       SER   6  16.874  -3.902  14.734
   35    HB2  SER   6           HB2      SER   6  16.597  -2.863  12.714
   36    HB3  SER   6           HB3      SER   6  16.391  -4.610  12.591
   37    H    ALA   7           HN       ALA   7  19.118  -2.313   9.985
   38    HA   ALA   7           HA       ALA   7  16.852  -2.208   8.278
   39    HB1  ALA   7           HB1      ALA   7  18.420  -0.351   8.431
   40    HB2  ALA   7           HB2      ALA   7  19.702  -1.359   7.758
   41    HB3  ALA   7           HB3      ALA   7  18.306  -0.932   6.769
   42    H    GLY   8           HN       GLY   8  19.915  -3.956   8.181
   43    HA2  GLY   8           HA1      GLY   8  19.748  -5.097   5.657
   44    HA3  GLY   8           HA2      GLY   8  20.561  -5.823   7.037
   45    H    ALA   9           HN       ALA   9  18.338  -6.203   8.708
   46    HA   ALA   9           HA       ALA   9  17.334  -8.650   7.745
   47    HB1  ALA   9           HB1      ALA   9  17.558  -8.136  10.123
   48    HB2  ALA   9           HB2      ALA   9  16.282  -6.926   9.980
   49    HB3  ALA   9           HB3      ALA   9  15.914  -8.631   9.721
   50    H    LEU  10           HN       LEU  10  15.796  -5.466   8.094
   51    HA   LEU  10           HA       LEU  10  13.297  -6.241   7.022
   52    HG   LEU  10           HG       LEU  10  12.873  -3.386   5.544
   53    HB2  LEU  10           HB2      LEU  10  13.457  -4.278   8.373
   54    HB3  LEU  10           HB3      LEU  10  14.634  -3.553   7.295
   55   HD11  LEU  10          HD11      LEU  10  11.028  -4.285   7.749
   56   HD12  LEU  10          HD12      LEU  10  10.543  -3.713   6.153
   57   HD13  LEU  10          HD13      LEU  10  11.451  -5.217   6.313
   58   HD21  LEU  10          HD21      LEU  10  11.667  -1.539   6.564
   59   HD22  LEU  10          HD22      LEU  10  12.171  -2.078   8.167
   60   HD23  LEU  10          HD23      LEU  10  13.373  -1.498   7.015
   61    H    LEU  11           HN       LEU  11  16.121  -4.668   5.609
   62    HA   LEU  11           HA       LEU  11  15.117  -4.269   3.030
   63    HG   LEU  11           HG       LEU  11  18.453  -2.905   2.195
   64    HB2  LEU  11           HB2      LEU  11  17.210  -3.324   4.132
   65    HB3  LEU  11           HB3      LEU  11  17.992  -4.843   3.758
   66   HD11  LEU  11          HD11      LEU  11  18.948  -5.225   1.628
   67   HD12  LEU  11          HD12      LEU  11  17.317  -5.411   0.983
   68   HD13  LEU  11          HD13      LEU  11  18.447  -4.296   0.213
   69   HD21  LEU  11          HD21      LEU  11  15.640  -3.511   1.309
   70   HD22  LEU  11          HD22      LEU  11  16.199  -2.016   2.060
   71   HD23  LEU  11          HD23      LEU  11  16.784  -2.471   0.459
   72    H    ALA  12           HN       ALA  12  17.003  -6.974   4.381
   73    HA   ALA  12           HA       ALA  12  17.263  -8.443   2.017
   74    HB1  ALA  12           HB1      ALA  12  18.567  -8.882   4.054
   75    HB2  ALA  12           HB2      ALA  12  17.119  -9.534   4.821
   76    HB3  ALA  12           HB3      ALA  12  17.810 -10.341   3.413
   77    H    HIS  13           HN       HIS  13  14.735  -8.607   4.534
   78    HA   HIS  13           HA       HIS  13  13.514 -10.868   3.260
   79    HD1  HIS  13           HD1      HIS  13   9.946  -9.861   4.871
   80    HD2  HIS  13           HD2      HIS  13  12.922  -7.608   6.679
   81    HE1  HIS  13           HE1      HIS  13   8.784  -7.876   5.854
   82    HE2  HIS  13           HE2      HIS  13  10.556  -6.715   7.203
   83    HB2  HIS  13           HB2      HIS  13  12.199 -11.073   5.123
   84    HB3  HIS  13           HB3      HIS  13  13.541 -10.169   5.807
   85    H    ALA  14           HN       ALA  14  13.110  -7.416   3.135
   86    HA   ALA  14           HA       ALA  14  10.548  -7.525   1.844
   87    HB1  ALA  14           HB1      ALA  14  11.265  -5.568   3.147
   88    HB2  ALA  14           HB2      ALA  14  12.535  -5.260   1.962
   89    HB3  ALA  14           HB3      ALA  14  10.838  -5.145   1.489
   90    H    ALA  15           HN       ALA  15  13.921  -7.336   0.846
   91    HA   ALA  15           HA       ALA  15  13.382  -6.906  -1.920
   92    HB1  ALA  15           HB1      ALA  15  15.873  -7.993  -0.613
   93    HB2  ALA  15           HB2      ALA  15  15.746  -7.380  -2.261
   94    HB3  ALA  15           HB3      ALA  15  15.517  -6.290  -0.894
   95    H    SER  16           HN       SER  16  13.887  -9.771   0.072
   96    HA   SER  16           HA       SER  16  14.110 -11.624  -2.045
   97    HG   SER  16           HG       SER  16  12.743 -12.632   1.597
   98    HB2  SER  16           HB2      SER  16  13.440 -13.302  -0.278
   99    HB3  SER  16           HB3      SER  16  14.821 -12.292   0.144
  100    H    LEU  17           HN       LEU  17  11.351 -10.445  -0.180
  101    HA   LEU  17           HA       LEU  17   9.445 -12.025  -1.634
  102    HG   LEU  17           HG       LEU  17  10.145 -11.340   1.378
  103    HB2  LEU  17           HB2      LEU  17   8.971  -9.578   0.068
  104    HB3  LEU  17           HB3      LEU  17   7.776 -10.772  -0.407
  105   HD11  LEU  17          HD11      LEU  17   7.248 -10.907   2.087
  106   HD12  LEU  17          HD12      LEU  17   8.520 -11.419   3.196
  107   HD13  LEU  17          HD13      LEU  17   8.586  -9.819   2.461
  108   HD21  LEU  17          HD21      LEU  17   8.946 -13.423   1.865
  109   HD22  LEU  17          HD22      LEU  17   7.726 -12.989   0.669
  110   HD23  LEU  17          HD23      LEU  17   9.388 -13.297   0.162
  111    H    GLY  18           HN       GLY  18  10.906  -8.900  -1.941
  112    HA2  GLY  18           HA1      GLY  18  11.013  -7.563  -3.807
  113    HA3  GLY  18           HA2      GLY  18   9.921  -8.654  -4.627
  114    H    VAL  19           HN       VAL  19   9.336  -6.964  -1.571
  115    HA   VAL  19           HA       VAL  19   6.913  -5.800  -2.478
  116    HB   VAL  19           HB       VAL  19   8.662  -4.948  -0.148
  117   HG11  VAL  19          HG11      VAL  19   7.060  -3.230  -0.755
  118   HG12  VAL  19          HG12      VAL  19   5.752  -4.411  -0.724
  119   HG13  VAL  19          HG13      VAL  19   6.596  -3.990   0.766
  120   HG21  VAL  19          HG21      VAL  19   7.061  -6.275   1.215
  121   HG22  VAL  19          HG22      VAL  19   6.383  -6.910  -0.285
  122   HG23  VAL  19          HG23      VAL  19   8.063  -7.250   0.134
  123    H    ARG  20           HN       ARG  20   6.551  -3.826  -3.446
  124    HA   ARG  20           HA       ARG  20   8.890  -2.082  -3.924
  125    HE   ARG  20           HE       ARG  20   8.810  -6.239  -7.061
  126    HB2  ARG  20           HB2      ARG  20   6.737  -2.643  -5.964
  127    HB3  ARG  20           HB3      ARG  20   8.277  -1.830  -6.215
  128    HG2  ARG  20           HG2      ARG  20   9.481  -3.855  -6.030
  129    HG3  ARG  20           HG3      ARG  20   8.073  -4.716  -5.406
  130    HD2  ARG  20           HD2      ARG  20   6.957  -4.216  -7.623
  131    HD3  ARG  20           HD3      ARG  20   8.544  -3.701  -8.200
  132   HH11  ARG  20          HH12      ARG  20   7.270  -4.745  -9.831
  133   HH12  ARG  20          HH11      ARG  20   7.378  -6.177 -10.816
  134   HH21  ARG  20          HH22      ARG  20   8.933  -8.126  -8.336
  135   HH22  ARG  20          HH21      ARG  20   8.310  -8.097  -9.960
  136    H    LEU  21           HN       LEU  21   8.468   0.013  -3.275
  137    HA   LEU  21           HA       LEU  21   5.743   0.993  -3.694
  138    HG   LEU  21           HG       LEU  21   4.806   0.102  -1.549
  139    HB2  LEU  21           HB2      LEU  21   7.429   1.525  -1.260
  140    HB3  LEU  21           HB3      LEU  21   5.981   2.423  -1.651
  141   HD11  LEU  21          HD11      LEU  21   7.278  -0.434   0.084
  142   HD12  LEU  21          HD12      LEU  21   5.839  -1.451   0.011
  143   HD13  LEU  21          HD13      LEU  21   6.839  -1.237  -1.424
  144   HD21  LEU  21          HD21      LEU  21   5.839   1.452   0.937
  145   HD22  LEU  21          HD22      LEU  21   4.428   1.948   0.004
  146   HD23  LEU  21          HD23      LEU  21   4.432   0.394   0.834
  147    H    TRP  22           HN       TRP  22   5.721   2.566  -5.059
  148    HA   TRP  22           HA       TRP  22   7.919   4.509  -5.008
  149    HD1  TRP  22           HD1      TRP  22   5.940   5.046  -9.046
  150    HE1  TRP  22           HE1      TRP  22   4.176   3.535 -10.166
  151    HE3  TRP  22           HE3      TRP  22   6.801   0.742  -6.431
  152    HZ2  TRP  22           HZ2      TRP  22   3.268   0.877  -9.946
  153    HZ3  TRP  22           HZ3      TRP  22   5.447  -1.243  -6.949
  154    HH2  TRP  22           HH2      TRP  22   3.715  -1.180  -8.671
  155    HB2  TRP  22           HB2      TRP  22   7.933   4.633  -7.439
  156    HB3  TRP  22           HB3      TRP  22   8.241   2.981  -6.936
  157    H    VAL  23           HN       VAL  23   7.328   6.640  -5.668
  158    HA   VAL  23           HA       VAL  23   4.502   7.065  -5.087
  159    HB   VAL  23           HB       VAL  23   5.975   8.182  -3.539
  160   HG11  VAL  23          HG11      VAL  23   7.960   8.393  -4.926
  161   HG12  VAL  23          HG12      VAL  23   7.149   9.588  -5.937
  162   HG13  VAL  23          HG13      VAL  23   7.516   9.961  -4.252
  163   HG21  VAL  23          HG21      VAL  23   3.909   9.323  -4.038
  164   HG22  VAL  23          HG22      VAL  23   5.193  10.507  -3.791
  165   HG23  VAL  23          HG23      VAL  23   4.648  10.124  -5.425
  166    H    GLU  24           HN       GLU  24   3.135   7.847  -6.519
  167    HA   GLU  24           HA       GLU  24   4.215   9.086  -8.964
  168    HB2  GLU  24           HB2      GLU  24   3.258   6.835  -9.380
  169    HB3  GLU  24           HB3      GLU  24   1.725   7.381  -8.717
  170    HG2  GLU  24           HG2      GLU  24   1.486   8.983 -10.519
  171    HG3  GLU  24           HG3      GLU  24   3.063   8.524 -11.164
  172    H    GLY  25           HN       GLY  25   3.641  11.152  -9.151
  173    HA2  GLY  25           HA1      GLY  25   2.615  13.156  -8.639
  174    HA3  GLY  25           HA2      GLY  25   1.173  12.228  -8.217
  175    H    GLU  26           HN       GLU  26   0.601  12.231  -6.140
  176    HA   GLU  26           HA       GLU  26   2.733  12.601  -4.141
  177    HB2  GLU  26           HB2      GLU  26   1.166  13.626  -2.668
  178    HB3  GLU  26           HB3      GLU  26   0.999  14.415  -4.229
  179    HG2  GLU  26           HG2      GLU  26  -0.783  12.186  -3.316
  180    HG3  GLU  26           HG3      GLU  26  -1.134  13.884  -3.011
  181    H    ARG  27           HN       ARG  27   0.516  10.426  -5.447
  182    HA   ARG  27           HA       ARG  27   0.008   9.093  -2.906
  183    HE   ARG  27           HE       ARG  27  -3.453   9.617  -2.843
  184    HB2  ARG  27           HB2      ARG  27  -1.803   9.513  -4.664
  185    HB3  ARG  27           HB3      ARG  27  -1.052   8.210  -5.580
  186    HG2  ARG  27           HG2      ARG  27  -2.974   7.464  -4.219
  187    HG3  ARG  27           HG3      ARG  27  -1.467   6.638  -3.794
  188    HD2  ARG  27           HD2      ARG  27  -2.802   7.341  -1.824
  189    HD3  ARG  27           HD3      ARG  27  -1.182   8.032  -1.862
  190   HH11  ARG  27          HH12      ARG  27  -0.912   9.128  -0.486
  191   HH12  ARG  27          HH11      ARG  27  -1.069  10.705   0.215
  192   HH21  ARG  27          HH22      ARG  27  -3.677  11.702  -1.904
  193   HH22  ARG  27          HH21      ARG  27  -2.649  12.154  -0.568
  194    H    LEU  28           HN       LEU  28   0.542   7.021  -2.460
  195    HA   LEU  28           HA       LEU  28   2.986   6.100  -3.698
  196    HG   LEU  28           HG       LEU  28   3.724   4.392  -0.447
  197    HB2  LEU  28           HB2      LEU  28   2.641   6.316  -1.227
  198    HB3  LEU  28           HB3      LEU  28   1.454   5.034  -1.315
  199   HD11  LEU  28          HD11      LEU  28   2.741   2.925  -2.883
  200   HD12  LEU  28          HD12      LEU  28   3.814   2.272  -1.645
  201   HD13  LEU  28          HD13      LEU  28   2.159   2.715  -1.231
  202   HD21  LEU  28          HD21      LEU  28   4.497   4.795  -3.328
  203   HD22  LEU  28          HD22      LEU  28   5.103   5.692  -1.935
  204   HD23  LEU  28          HD23      LEU  28   5.483   3.979  -2.113
  205    H    ARG  29           HN       ARG  29   3.092   4.480  -5.128
  206    HA   ARG  29           HA       ARG  29   0.725   2.805  -5.574
  207    HE   ARG  29           HE       ARG  29   0.491   5.793  -9.543
  208    HB2  ARG  29           HB2      ARG  29   3.120   3.514  -7.207
  209    HB3  ARG  29           HB3      ARG  29   2.358   1.959  -7.488
  210    HG2  ARG  29           HG2      ARG  29   1.567   3.652  -9.044
  211    HG3  ARG  29           HG3      ARG  29   0.262   3.049  -8.021
  212    HD2  ARG  29           HD2      ARG  29   0.275   5.016  -6.704
  213    HD3  ARG  29           HD3      ARG  29   1.789   5.570  -7.419
  214   HH11  ARG  29          HH12      ARG  29  -1.188   5.850  -6.483
  215   HH12  ARG  29          HH11      ARG  29  -2.464   6.879  -7.055
  216   HH21  ARG  29          HH22      ARG  29  -1.132   7.159 -10.303
  217   HH22  ARG  29          HH21      ARG  29  -2.421   7.653  -9.232
  218    H    PHE  30           HN       PHE  30   0.715   0.674  -5.055
  219    HA   PHE  30           HA       PHE  30   3.101  -0.255  -3.596
  220    HD1  PHE  30           HD2      PHE  30   2.954  -2.670  -2.404
  221    HD2  PHE  30           HD1      PHE  30   0.956   0.412  -0.258
  222    HE1  PHE  30           HE2      PHE  30   4.076  -3.383  -0.340
  223    HE2  PHE  30           HE1      PHE  30   2.074  -0.295   1.807
  224    HZ   PHE  30           HZ       PHE  30   3.642  -2.198   1.769
  225    HB2  PHE  30           HB2      PHE  30   0.697   0.315  -2.526
  226    HB3  PHE  30           HB3      PHE  30   0.421  -1.366  -2.970
  227    H    GLN  31           HN       GLN  31   3.989  -2.125  -4.214
  228    HA   GLN  31           HA       GLN  31   2.359  -4.024  -5.764
  229    HB2  GLN  31           HB2      GLN  31   3.934  -2.779  -7.242
  230    HB3  GLN  31           HB3      GLN  31   5.272  -3.379  -6.271
  231    HG2  GLN  31           HG2      GLN  31   5.086  -4.695  -8.269
  232    HG3  GLN  31           HG3      GLN  31   4.650  -5.684  -6.877
  233   HE21  GLN  31          HE21      GLN  31   3.521  -4.137  -9.765
  234   HE22  GLN  31          HE22      GLN  31   1.965  -4.886  -9.800
  235    H    ALA  32           HN       ALA  32   2.297  -5.970  -4.848
  236    HA   ALA  32           HA       ALA  32   4.585  -7.022  -3.400
  237    HB1  ALA  32           HB1      ALA  32   3.329  -7.447  -1.352
  238    HB2  ALA  32           HB2      ALA  32   3.420  -5.718  -1.689
  239    HB3  ALA  32           HB3      ALA  32   1.933  -6.606  -2.023
  240    HA   PRO  33           HA       PRO  33   2.866 -10.730  -5.162
  241    HB2  PRO  33           HB2      PRO  33   4.364 -12.509  -3.698
  242    HB3  PRO  33           HB3      PRO  33   4.942 -11.682  -5.148
  243    HG2  PRO  33           HG2      PRO  33   5.507 -11.115  -2.290
  244    HG3  PRO  33           HG3      PRO  33   6.548 -10.901  -3.710
  245    HD2  PRO  33           HD2      PRO  33   5.219  -8.873  -2.427
  246    HD3  PRO  33           HD3      PRO  33   5.760  -8.805  -4.110
  247    HA   PRO  34           HA       PRO  34  -0.342 -11.860  -2.480
  248    HB2  PRO  34           HB2      PRO  34  -0.657 -14.532  -3.082
  249    HB3  PRO  34           HB3      PRO  34  -1.284 -13.199  -4.054
  250    HG2  PRO  34           HG2      PRO  34   1.161 -14.854  -4.455
  251    HG3  PRO  34           HG3      PRO  34   0.042 -14.190  -5.659
  252    HD2  PRO  34           HD2      PRO  34   2.473 -13.103  -5.145
  253    HD3  PRO  34           HD3      PRO  34   1.088 -12.127  -5.660
  254    H    GLY  35           HN       GLY  35  -0.147 -12.009  -0.361
  255    HA2  GLY  35           HA1      GLY  35  -0.224 -13.609   1.473
  256    HA3  GLY  35           HA2      GLY  35   1.163 -14.405   0.749
  257    H    VAL  36           HN       VAL  36   2.412 -11.704   0.202
  258    HA   VAL  36           HA       VAL  36   3.869 -11.739   2.700
  259    HB   VAL  36           HB       VAL  36   5.482 -10.314   1.623
  260   HG11  VAL  36          HG11      VAL  36   6.169 -11.824  -0.155
  261   HG12  VAL  36          HG12      VAL  36   5.533 -12.728   1.224
  262   HG13  VAL  36          HG13      VAL  36   4.541 -12.504  -0.217
  263   HG21  VAL  36          HG21      VAL  36   3.563 -10.209  -0.693
  264   HG22  VAL  36          HG22      VAL  36   3.978  -8.869   0.379
  265   HG23  VAL  36          HG23      VAL  36   5.204  -9.559  -0.683
  266    H    MET  37           HN       MET  37   1.300  -9.929   1.557
  267    HA   MET  37           HA       MET  37   2.146  -7.378   2.613
  268    HB2  MET  37           HB2      MET  37   0.702  -7.756   0.532
  269    HB3  MET  37           HB3      MET  37  -0.623  -8.057   1.644
  270    HG2  MET  37           HG2      MET  37  -0.937  -5.843   1.215
  271    HG3  MET  37           HG3      MET  37   0.092  -5.748   2.643
  272    HE1  MET  37           HE1      MET  37   2.671  -5.262   2.569
  273    HE2  MET  37           HE2      MET  37   3.096  -6.407   1.295
  274    HE3  MET  37           HE3      MET  37   3.557  -4.714   1.144
  275    H    THR  38           HN       THR  38   1.690  -9.767   4.391
  276    HA   THR  38           HA       THR  38  -0.612  -9.572   5.919
  277    HB   THR  38           HB       THR  38   0.890 -10.507   7.784
  278    HG1  THR  38           HG1      THR  38   2.977 -10.961   7.253
  279   HG21  THR  38          HG21      THR  38  -0.464 -11.932   6.325
  280   HG22  THR  38          HG22      THR  38   1.096 -12.683   6.664
  281   HG23  THR  38          HG23      THR  38   0.811 -11.904   5.108
  282    HA   PRO  39           HA       PRO  39  -0.677  -5.766   8.040
  283    HB2  PRO  39           HB2      PRO  39  -1.164  -7.363  10.515
  284    HB3  PRO  39           HB3      PRO  39  -2.080  -6.002   9.854
  285    HG2  PRO  39           HG2      PRO  39  -2.997  -8.484   9.599
  286    HG3  PRO  39           HG3      PRO  39  -3.149  -7.325   8.265
  287    HD2  PRO  39           HD2      PRO  39  -1.256  -9.606   8.591
  288    HD3  PRO  39           HD3      PRO  39  -2.040  -8.989   7.123
  289    H    GLU  40           HN       GLU  40   1.221  -8.329   9.603
  290    HA   GLU  40           HA       GLU  40   2.642  -6.526  11.283
  291    HB2  GLU  40           HB2      GLU  40   2.449  -8.968  11.762
  292    HB3  GLU  40           HB3      GLU  40   3.532  -9.278  10.407
  293    HG2  GLU  40           HG2      GLU  40   5.255  -7.904  11.514
  294    HG3  GLU  40           HG3      GLU  40   4.177  -7.707  12.892
  295    H    LEU  41           HN       LEU  41   3.160  -7.806   8.046
  296    HA   LEU  41           HA       LEU  41   5.841  -6.962   7.750
  297    HG   LEU  41           HG       LEU  41   6.603  -6.664   5.513
  298    HB2  LEU  41           HB2      LEU  41   4.588  -8.528   6.209
  299    HB3  LEU  41           HB3      LEU  41   3.770  -7.104   5.574
  300   HD11  LEU  41          HD11      LEU  41   7.230  -8.377   3.880
  301   HD12  LEU  41          HD12      LEU  41   6.842  -9.077   5.452
  302   HD13  LEU  41          HD13      LEU  41   5.679  -9.177   4.130
  303   HD21  LEU  41          HD21      LEU  41   6.149  -6.292   3.140
  304   HD22  LEU  41          HD22      LEU  41   4.544  -6.999   3.336
  305   HD23  LEU  41          HD23      LEU  41   4.951  -5.497   4.165
  306    H    GLN  42           HN       GLN  42   2.734  -5.434   7.049
  307    HA   GLN  42           HA       GLN  42   3.718  -3.030   6.015
  308    HB2  GLN  42           HB2      GLN  42   1.369  -3.537   5.840
  309    HB3  GLN  42           HB3      GLN  42   1.204  -3.596   7.594
  310    HG2  GLN  42           HG2      GLN  42   0.341  -1.524   7.041
  311    HG3  GLN  42           HG3      GLN  42   1.986  -1.183   7.559
  312   HE21  GLN  42          HE21      GLN  42   2.908  -2.340   4.895
  313   HE22  GLN  42          HE22      GLN  42   2.671  -1.046   3.781
  314    H    SER  43           HN       SER  43   3.217  -4.112   9.330
  315    HA   SER  43           HA       SER  43   3.921  -1.678  10.595
  316    HG   SER  43           HG       SER  43   4.697  -2.101  12.752
  317    HB2  SER  43           HB2      SER  43   2.697  -3.499  11.741
  318    HB3  SER  43           HB3      SER  43   4.138  -4.511  11.656
  319    H    ARG  44           HN       ARG  44   5.761  -4.333   9.271
  320    HA   ARG  44           HA       ARG  44   8.272  -3.582  10.408
  321    HE   ARG  44           HE       ARG  44   7.321  -8.016  11.500
  322    HB2  ARG  44           HB2      ARG  44   7.744  -5.180   7.896
  323    HB3  ARG  44           HB3      ARG  44   9.258  -5.111   8.783
  324    HG2  ARG  44           HG2      ARG  44   6.669  -6.258   9.793
  325    HG3  ARG  44           HG3      ARG  44   8.069  -7.175   9.231
  326    HD2  ARG  44           HD2      ARG  44   9.410  -6.180  11.039
  327    HD3  ARG  44           HD3      ARG  44   7.981  -5.321  11.608
  328   HH11  ARG  44          HH12      ARG  44   9.501  -5.933  13.260
  329   HH12  ARG  44          HH11      ARG  44   9.562  -6.949  14.667
  330   HH21  ARG  44          HH22      ARG  44   7.371  -9.364  13.326
  331   HH22  ARG  44          HH21      ARG  44   8.356  -8.923  14.697
  332    H    LEU  45           HN       LEU  45   6.675  -3.026   7.291
  333    HA   LEU  45           HA       LEU  45   8.705  -1.482   6.092
  334    HG   LEU  45           HG       LEU  45   6.517  -3.582   5.256
  335    HB2  LEU  45           HB2      LEU  45   5.715  -1.238   5.687
  336    HB3  LEU  45           HB3      LEU  45   6.957  -0.666   4.591
  337   HD11  LEU  45          HD11      LEU  45   5.498  -3.738   3.024
  338   HD12  LEU  45          HD12      LEU  45   4.559  -2.717   4.119
  339   HD13  LEU  45          HD13      LEU  45   5.581  -1.980   2.882
  340   HD21  LEU  45          HD21      LEU  45   7.870  -3.984   3.269
  341   HD22  LEU  45          HD22      LEU  45   8.091  -2.246   3.058
  342   HD23  LEU  45          HD23      LEU  45   8.775  -3.056   4.471
  343    H    GLY  46           HN       GLY  46   5.878  -0.600   8.035
  344    HA2  GLY  46           HA1      GLY  46   5.801   1.032   9.688
  345    HA3  GLY  46           HA2      GLY  46   7.366   1.622   9.147
  346    H    GLY  47           HN       GLY  47   6.218   1.662   6.324
  347    HA2  GLY  47           HA1      GLY  47   5.200   3.203   4.944
  348    HA3  GLY  47           HA2      GLY  47   4.243   3.725   6.323
  349    H    ALA  48           HN       ALA  48   7.617   3.696   6.817
  350    HA   ALA  48           HA       ALA  48   7.642   6.543   7.165
  351    HB1  ALA  48           HB1      ALA  48   9.841   4.491   7.387
  352    HB2  ALA  48           HB2      ALA  48  10.007   6.193   7.815
  353    HB3  ALA  48           HB3      ALA  48   8.887   5.165   8.705
  354    H    ARG  49           HN       ARG  49   8.981   8.022   6.073
  355    HA   ARG  49           HA       ARG  49   8.805   7.679   3.259
  356    HE   ARG  49           HE       ARG  49   7.892  10.167   6.808
  357    HB2  ARG  49           HB2      ARG  49   9.935   9.940   3.221
  358    HB3  ARG  49           HB3      ARG  49   8.415   9.843   4.097
  359    HG2  ARG  49           HG2      ARG  49  10.144   9.348   6.101
  360    HG3  ARG  49           HG3      ARG  49  11.131  10.395   5.073
  361    HD2  ARG  49           HD2      ARG  49   9.889  11.724   6.680
  362    HD3  ARG  49           HD3      ARG  49   9.331  12.036   5.036
  363   HH11  ARG  49          HH12      ARG  49   7.944  13.051   4.851
  364   HH12  ARG  49          HH11      ARG  49   6.208  13.200   4.758
  365   HH21  ARG  49          HH22      ARG  49   5.594  10.324   6.688
  366   HH22  ARG  49          HH21      ARG  49   4.873  11.633   5.785
  367    H    HIS  50           HN       HIS  50  11.626   8.040   5.409
  368    HA   HIS  50           HA       HIS  50  13.537   7.808   3.383
  369    HD1  HIS  50           HD1      HIS  50  14.015   5.038   6.620
  370    HD2  HIS  50           HD2      HIS  50  12.963   8.878   7.846
  371    HE1  HIS  50           HE1      HIS  50  12.928   4.766   8.852
  372    HE2  HIS  50           HE2      HIS  50  12.594   7.119   9.710
  373    HB2  HIS  50           HB2      HIS  50  15.121   7.144   5.251
  374    HB3  HIS  50           HB3      HIS  50  14.280   8.672   5.478
  375    H    GLU  51           HN       GLU  51  11.758   5.451   5.206
  376    HA   GLU  51           HA       GLU  51  13.374   3.194   4.648
  377    HB2  GLU  51           HB2      GLU  51  11.075   3.754   6.167
  378    HB3  GLU  51           HB3      GLU  51  10.599   2.506   5.022
  379    HG2  GLU  51           HG2      GLU  51  11.363   1.425   6.980
  380    HG3  GLU  51           HG3      GLU  51  12.590   1.215   5.723
  381    H    LEU  52           HN       LEU  52  10.441   4.514   3.224
  382    HA   LEU  52           HA       LEU  52  10.124   2.407   1.385
  383    HG   LEU  52           HG       LEU  52   8.159   4.147   3.192
  384    HB2  LEU  52           HB2      LEU  52   9.069   5.233   1.227
  385    HB3  LEU  52           HB3      LEU  52   8.541   3.908   0.209
  386   HD11  LEU  52          HD11      LEU  52   5.785   4.187   2.623
  387   HD12  LEU  52          HD12      LEU  52   6.651   5.538   1.891
  388   HD13  LEU  52          HD13      LEU  52   6.197   4.145   0.908
  389   HD21  LEU  52          HD21      LEU  52   7.383   1.905   1.333
  390   HD22  LEU  52          HD22      LEU  52   8.613   1.834   2.597
  391   HD23  LEU  52          HD23      LEU  52   6.916   2.049   3.028
  392    H    ILE  53           HN       ILE  53  11.929   5.392   1.256
  393    HA   ILE  53           HA       ILE  53  12.581   5.422  -1.476
  394    HB   ILE  53           HB       ILE  53  14.266   6.289   0.889
  395   HG12  ILE  53          HG12      ILE  53  12.506   7.932  -0.950
  396   HG13  ILE  53          HG13      ILE  53  12.054   7.416   0.672
  397   HG21  ILE  53          HG21      ILE  53  15.635   5.941  -1.091
  398   HG22  ILE  53          HG22      ILE  53  14.552   6.962  -2.037
  399   HG23  ILE  53          HG23      ILE  53  15.500   7.661  -0.723
  400   HD11  ILE  53          HD11      ILE  53  14.357   9.221  -0.025
  401   HD12  ILE  53          HD12      ILE  53  12.808   9.719   0.658
  402   HD13  ILE  53          HD13      ILE  53  13.903   8.705   1.599
  403    H    ALA  54           HN       ALA  54  14.021   3.782   1.266
  404    HA   ALA  54           HA       ALA  54  16.199   2.626  -0.185
  405    HB1  ALA  54           HB1      ALA  54  15.047   1.835   2.488
  406    HB2  ALA  54           HB2      ALA  54  16.598   1.312   1.830
  407    HB3  ALA  54           HB3      ALA  54  16.336   3.011   2.232
  408    H    LEU  55           HN       LEU  55  12.948   1.758   0.589
  409    HA   LEU  55           HA       LEU  55  13.028  -1.004  -0.011
  410    HG   LEU  55           HG       LEU  55   9.340  -0.931   0.690
  411    HB2  LEU  55           HB2      LEU  55  11.264   0.339   1.250
  412    HB3  LEU  55           HB3      LEU  55  10.696   0.903  -0.303
  413   HD11  LEU  55          HD11      LEU  55  10.683  -1.576  -1.919
  414   HD12  LEU  55          HD12      LEU  55   9.142  -2.226  -1.357
  415   HD13  LEU  55          HD13      LEU  55   9.303  -0.502  -1.696
  416   HD21  LEU  55          HD21      LEU  55  11.808  -2.568   0.162
  417   HD22  LEU  55          HD22      LEU  55  11.124  -2.185   1.742
  418   HD23  LEU  55          HD23      LEU  55  10.229  -3.210   0.619
  419    H    LEU  56           HN       LEU  56  12.379   1.915  -1.819
  420    HA   LEU  56           HA       LEU  56  11.976   0.801  -4.343
  421    HG   LEU  56           HG       LEU  56  10.854   4.070  -4.757
  422    HB2  LEU  56           HB2      LEU  56  11.905   3.201  -3.050
  423    HB3  LEU  56           HB3      LEU  56  13.233   3.409  -4.176
  424   HD11  LEU  56          HD11      LEU  56  12.549   2.488  -6.674
  425   HD12  LEU  56          HD12      LEU  56  11.258   3.594  -7.142
  426   HD13  LEU  56          HD13      LEU  56  12.698   4.213  -6.335
  427   HD21  LEU  56          HD21      LEU  56  10.073   1.741  -4.150
  428   HD22  LEU  56          HD22      LEU  56   9.418   2.477  -5.615
  429   HD23  LEU  56          HD23      LEU  56  10.691   1.266  -5.739
  430    H    ARG  57           HN       ARG  57  14.853   2.022  -2.712
  431    HA   ARG  57           HA       ARG  57  16.738   1.843  -4.711
  432    HE   ARG  57           HE       ARG  57  18.815   5.438  -1.920
  433    HB2  ARG  57           HB2      ARG  57  17.012   1.208  -1.778
  434    HB3  ARG  57           HB3      ARG  57  18.384   1.214  -2.877
  435    HG2  ARG  57           HG2      ARG  57  17.941   3.572  -3.394
  436    HG3  ARG  57           HG3      ARG  57  16.591   3.554  -2.256
  437    HD2  ARG  57           HD2      ARG  57  18.128   2.989  -0.441
  438    HD3  ARG  57           HD3      ARG  57  19.475   2.992  -1.574
  439   HH11  ARG  57          HH12      ARG  57  18.393   3.700   1.077
  440   HH12  ARG  57          HH11      ARG  57  18.614   5.089   2.090
  441   HH21  ARG  57          HH22      ARG  57  19.129   7.302  -0.600
  442   HH22  ARG  57          HH21      ARG  57  19.048   7.142   1.134
  443    H    GLN  58           HN       GLN  58  15.274  -0.803  -2.908
  444    HA   GLN  58           HA       GLN  58  16.841  -2.956  -3.695
  445    HB2  GLN  58           HB2      GLN  58  13.825  -2.871  -3.612
  446    HB3  GLN  58           HB3      GLN  58  14.807  -4.323  -3.563
  447    HG2  GLN  58           HG2      GLN  58  15.733  -3.640  -1.422
  448    HG3  GLN  58           HG3      GLN  58  14.774  -2.161  -1.476
  449   HE21  GLN  58          HE21      GLN  58  12.420  -3.470  -2.598
  450   HE22  GLN  58          HE22      GLN  58  11.733  -4.399  -1.317
  451    H    LEU  59           HN       LEU  59  14.216  -1.381  -5.444
  452    HA   LEU  59           HA       LEU  59  14.463  -3.133  -7.737
  453    HG   LEU  59           HG       LEU  59  12.507  -2.794  -9.394
  454    HB2  LEU  59           HB2      LEU  59  12.283  -2.355  -6.854
  455    HB3  LEU  59           HB3      LEU  59  12.729  -0.706  -7.228
  456   HD11  LEU  59          HD11      LEU  59  10.401  -2.768  -8.153
  457   HD12  LEU  59          HD12      LEU  59  10.331  -1.011  -8.309
  458   HD13  LEU  59          HD13      LEU  59  10.215  -2.030  -9.744
  459   HD21  LEU  59          HD21      LEU  59  13.613  -0.680  -9.980
  460   HD22  LEU  59          HD22      LEU  59  12.066  -0.854 -10.807
  461   HD23  LEU  59          HD23      LEU  59  12.204   0.212  -9.407
  462    H    GLN  60           HN       GLN  60  15.386   0.062  -6.745
  463    HA   GLN  60           HA       GLN  60  15.816   1.090  -9.382
  464    HB2  GLN  60           HB2      GLN  60  15.214   2.418  -7.322
  465    HB3  GLN  60           HB3      GLN  60  16.874   2.198  -6.780
  466    HG2  GLN  60           HG2      GLN  60  17.640   3.296  -8.862
  467    HG3  GLN  60           HG3      GLN  60  15.954   3.608  -9.269
  468   HE21  GLN  60          HE21      GLN  60  15.175   4.172  -6.514
  469   HE22  GLN  60          HE22      GLN  60  15.828   5.721  -6.135
  470    HA   PRO  61           HA       PRO  61  19.826  -0.877  -9.802
  471    HB2  PRO  61           HB2      PRO  61  20.382   0.152 -12.259
  472    HB3  PRO  61           HB3      PRO  61  19.309  -1.230 -12.008
  473    HG2  PRO  61           HG2      PRO  61  18.620   1.649 -12.466
  474    HG3  PRO  61           HG3      PRO  61  17.866   0.194 -13.143
  475    HD2  PRO  61           HD2      PRO  61  16.789   1.564 -11.072
  476    HD3  PRO  61           HD3      PRO  61  16.618  -0.195 -11.249
  477    H    SER  62           HN       SER  62  21.856  -0.209  -9.306
  478    HA   SER  62           HA       SER  62  22.252   2.673  -8.975
  479    HG   SER  62           HG       SER  62  24.061   3.133  -7.707
  480    HB2  SER  62           HB2      SER  62  22.571   1.163  -7.019
  481    HB3  SER  62           HB3      SER  62  23.883   0.368  -7.879
  482    H    SER  63           HN       SER  63  23.045   0.155 -11.056
  483    HA   SER  63           HA       SER  63  24.483  -0.139 -12.778
  484    HG   SER  63           HG       SER  63  23.268   3.150 -13.664
  485    HB2  SER  63           HB2      SER  63  25.015   2.824 -12.486
  486    HB3  SER  63           HB3      SER  63  25.402   1.835 -13.894
  487    H    GLN  64           HN       GLN  64  25.976  -1.467 -11.912
  488    HA   GLN  64           HA       GLN  64  28.072  -0.307 -10.207
  489    HB2  GLN  64           HB2      GLN  64  27.290  -3.212 -10.552
  490    HB3  GLN  64           HB3      GLN  64  28.456  -2.584  -9.397
  491    HG2  GLN  64           HG2      GLN  64  26.523  -2.981  -8.150
  492    HG3  GLN  64           HG3      GLN  64  26.535  -1.241  -8.416
  493   HE21  GLN  64          HE21      GLN  64  25.655  -3.555 -10.896
  494   HE22  GLN  64          HE22      GLN  64  23.973  -3.145 -10.941
  495    H    GLY  65           HN       GLY  65  27.852  -3.063 -12.454
  496    HA2  GLY  65           HA1      GLY  65  29.209  -3.353 -14.381
  497    HA3  GLY  65           HA2      GLY  65  30.311  -2.132 -13.757
  498    H    GLY  66           HN       GLY  66  31.967  -3.749 -14.292
  499    HA2  GLY  66           HA1      GLY  66  33.615  -4.910 -12.984
  500    HA3  GLY  66           HA2      GLY  66  32.318  -5.590 -12.018
  501    H    SER  67           HN       SER  67  34.466  -6.164 -14.522
  502    HA   SER  67           HA       SER  67  33.440  -8.817 -14.854
  503    HG   SER  67           HG       SER  67  32.177  -9.273 -17.691
  504    HB2  SER  67           HB2      SER  67  32.052  -7.558 -16.498
  505    HB3  SER  67           HB3      SER  67  33.532  -7.049 -17.312
  506    H    LEU  68           HN       LEU  68  35.342  -9.700 -14.310
  507    HA   LEU  68           HA       LEU  68  37.609  -9.150 -16.112
  508    HG   LEU  68           HG       LEU  68  39.763 -10.674 -14.604
  509    HB2  LEU  68           HB2      LEU  68  37.954  -8.411 -13.742
  510    HB3  LEU  68           HB3      LEU  68  37.765 -10.080 -13.242
  511   HD11  LEU  68          HD11      LEU  68  39.658  -8.847 -16.214
  512   HD12  LEU  68          HD12      LEU  68  40.019  -7.688 -14.932
  513   HD13  LEU  68          HD13      LEU  68  41.221  -8.890 -15.400
  514   HD21  LEU  68          HD21      LEU  68  40.197  -8.523 -12.536
  515   HD22  LEU  68          HD22      LEU  68  39.960 -10.240 -12.212
  516   HD23  LEU  68          HD23      LEU  68  41.397  -9.698 -13.076
  517    H    LEU  69           HN       LEU  69  35.228 -11.156 -15.741
  518    HA   LEU  69           HA       LEU  69  36.621 -13.679 -15.540
  519    HG   LEU  69           HG       LEU  69  33.488 -14.572 -13.955
  520    HB2  LEU  69           HB2      LEU  69  33.773 -12.841 -15.727
  521    HB3  LEU  69           HB3      LEU  69  34.188 -14.469 -16.229
  522   HD11  LEU  69          HD11      LEU  69  35.345 -16.001 -14.537
  523   HD12  LEU  69          HD12      LEU  69  36.488 -14.709 -14.174
  524   HD13  LEU  69          HD13      LEU  69  35.534 -15.432 -12.876
  525   HD21  LEU  69          HD21      LEU  69  33.810 -12.210 -13.373
  526   HD22  LEU  69          HD22      LEU  69  34.543 -13.279 -12.178
  527   HD23  LEU  69          HD23      LEU  69  35.557 -12.455 -13.362
  528    H    ALA  70           HN       ALA  70  35.527 -11.561 -18.025
  529    HA   ALA  70           HA       ALA  70  36.207 -13.640 -19.979
  530    HB1  ALA  70           HB1      ALA  70  34.317 -11.315 -20.348
  531    HB2  ALA  70           HB2      ALA  70  34.743 -12.495 -21.586
  532    HB3  ALA  70           HB3      ALA  70  33.860 -13.005 -20.147
  533    HA   PRO  71           HA       PRO  71  39.560 -10.812 -20.751
  534    HB2  PRO  71           HB2      PRO  71  41.009 -12.444 -22.311
  535    HB3  PRO  71           HB3      PRO  71  40.835 -12.742 -20.579
  536    HG2  PRO  71           HG2      PRO  71  39.475 -14.069 -22.877
  537    HG3  PRO  71           HG3      PRO  71  40.057 -14.771 -21.358
  538    HD2  PRO  71           HD2      PRO  71  37.421 -14.074 -21.909
  539    HD3  PRO  71           HD3      PRO  71  38.097 -14.317 -20.291
  540    H    VAL  72           HN       VAL  72  37.167 -10.427 -22.227
  541    HA   VAL  72           HA       VAL  72  37.426 -10.718 -24.993
  542    HB   VAL  72           HB       VAL  72  35.269 -10.426 -24.017
  543   HG11  VAL  72          HG11      VAL  72  34.525  -8.301 -23.024
  544   HG12  VAL  72          HG12      VAL  72  35.828  -9.053 -22.105
  545   HG13  VAL  72          HG13      VAL  72  36.171  -7.680 -23.156
  546   HG21  VAL  72          HG21      VAL  72  34.324  -8.673 -25.440
  547   HG22  VAL  72          HG22      VAL  72  35.941  -8.029 -25.723
  548   HG23  VAL  72          HG23      VAL  72  35.517  -9.638 -26.309
  549    H    ALA  73           HN       ALA  73  39.134  -9.973 -26.000
  550    HA   ALA  73           HA       ALA  73  40.551  -8.567 -27.054
  551    HB1  ALA  73           HB1      ALA  73  38.576  -6.425 -26.286
  552    HB2  ALA  73           HB2      ALA  73  39.820  -6.308 -27.533
  553    HB3  ALA  73           HB3      ALA  73  38.483  -7.442 -27.723
  554    H    ARG  74           HN       ARG  74  40.378  -8.750 -23.898
  555    HA   ARG  74           HA       ARG  74  41.477  -7.955 -22.074
  556    HE   ARG  74           HE       ARG  74  43.908  -9.110 -25.384
  557    HB2  ARG  74           HB2      ARG  74  43.430  -7.476 -24.291
  558    HB3  ARG  74           HB3      ARG  74  43.801  -6.882 -22.680
  559    HG2  ARG  74           HG2      ARG  74  44.839  -9.018 -22.987
  560    HG3  ARG  74           HG3      ARG  74  43.534  -9.179 -21.812
  561    HD2  ARG  74           HD2      ARG  74  43.582 -11.052 -23.395
  562    HD3  ARG  74           HD3      ARG  74  42.086 -10.126 -23.514
  563   HH11  ARG  74          HH12      ARG  74  42.126 -12.059 -24.791
  564   HH12  ARG  74          HH11      ARG  74  41.966 -12.463 -26.476
  565   HH21  ARG  74          HH22      ARG  74  43.663  -9.582 -27.590
  566   HH22  ARG  74          HH21      ARG  74  42.837 -11.039 -28.080
  567    H    ASN  75           HN       ASN  75  39.568  -6.172 -23.371
  568    HA   ASN  75           HA       ASN  75  40.567  -3.513 -23.350
  569    HB2  ASN  75           HB2      ASN  75  37.732  -4.537 -23.089
  570    HB3  ASN  75           HB3      ASN  75  38.160  -2.842 -23.265
  571   HD21  ASN  75          HD21      ASN  75  40.354  -3.459 -25.142
  572   HD22  ASN  75          HD22      ASN  75  39.577  -3.840 -26.642
  573    H    GLY  76           HN       GLY  76  41.563  -2.880 -21.537
  574    HA2  GLY  76           HA1      GLY  76  40.654  -3.554 -18.923
  575    HA3  GLY  76           HA2      GLY  76  41.895  -2.372 -19.321
  576    H    ARG  77           HN       ARG  77  38.761  -2.842 -18.208
  577    HA   ARG  77           HA       ARG  77  37.712  -0.273 -18.970
  578    HE   ARG  77           HE       ARG  77  33.859  -1.351 -17.874
  579    HB2  ARG  77           HB2      ARG  77  36.689  -2.200 -16.878
  580    HB3  ARG  77           HB3      ARG  77  35.793  -0.875 -17.614
  581    HG2  ARG  77           HG2      ARG  77  36.014  -2.002 -19.807
  582    HG3  ARG  77           HG3      ARG  77  36.793  -3.357 -18.987
  583    HD2  ARG  77           HD2      ARG  77  34.453  -3.847 -19.341
  584    HD3  ARG  77           HD3      ARG  77  34.778  -3.666 -17.618
  585   HH11  ARG  77          HH12      ARG  77  32.914  -3.931 -20.039
  586   HH12  ARG  77          HH11      ARG  77  31.377  -3.222 -20.427
  587   HH21  ARG  77          HH22      ARG  77  31.871  -0.393 -18.397
  588   HH22  ARG  77          HH21      ARG  77  30.787  -1.186 -19.499
  589    H    LEU  78           HN       LEU  78  39.670  -1.518 -16.478
  590    HA   LEU  78           HA       LEU  78  39.803   1.150 -15.304
  591    HG   LEU  78           HG       LEU  78  40.545  -2.245 -13.893
  592    HB2  LEU  78           HB2      LEU  78  40.105   0.166 -13.046
  593    HB3  LEU  78           HB3      LEU  78  38.496  -0.056 -13.697
  594   HD11  LEU  78          HD11      LEU  78  40.416  -1.562 -11.537
  595   HD12  LEU  78          HD12      LEU  78  38.663  -1.750 -11.589
  596   HD13  LEU  78          HD13      LEU  78  39.706  -3.156 -11.802
  597   HD21  LEU  78          HD21      LEU  78  38.534  -3.653 -13.911
  598   HD22  LEU  78          HD22      LEU  78  37.529  -2.209 -13.796
  599   HD23  LEU  78          HD23      LEU  78  38.525  -2.479 -15.228
  600    H1   GLY   1           H1       GLY   1 -19.931  -4.229   6.367
  601    H2   GLY   1           H2       GLY   1 -18.549  -5.056   5.842
  602    H3   GLY   1           H3       GLY   1 -19.857  -5.918   6.500
  603    HA2  GLY   1           HA2      GLY   1 -19.833  -6.146   4.107
  604    HA3  GLY   1           HA1      GLY   1 -21.258  -5.270   4.651
  605    HA   PRO   2           HA       PRO   2 -18.806  -2.866   1.398
  606    HB2  PRO   2           HB2      PRO   2 -20.714  -2.853  -0.546
  607    HB3  PRO   2           HB3      PRO   2 -19.476  -4.107  -0.408
  608    HG2  PRO   2           HG2      PRO   2 -22.333  -4.153   0.477
  609    HG3  PRO   2           HG3      PRO   2 -21.381  -5.424  -0.314
  610    HD2  PRO   2           HD2      PRO   2 -21.874  -5.403   2.353
  611    HD3  PRO   2           HD3      PRO   2 -20.391  -6.085   1.656
  612    H    LEU   3           HN       LEU   3 -18.866  -0.804   2.028
  613    HA   LEU   3           HA       LEU   3 -21.441   0.609   1.972
  614    HG   LEU   3           HG       LEU   3 -20.846  -0.911   4.573
  615    HB2  LEU   3           HB2      LEU   3 -19.247   0.892   4.030
  616    HB3  LEU   3           HB3      LEU   3 -20.583   2.016   3.866
  617   HD11  LEU   3          HD11      LEU   3 -19.818   0.348   6.373
  618   HD12  LEU   3          HD12      LEU   3 -21.086   1.570   6.269
  619   HD13  LEU   3          HD13      LEU   3 -21.481  -0.066   6.793
  620   HD21  LEU   3          HD21      LEU   3 -22.909   1.291   4.499
  621   HD22  LEU   3          HD22      LEU   3 -22.783  -0.039   3.348
  622   HD23  LEU   3          HD23      LEU   3 -23.177  -0.368   5.036
  623    H    GLY   4           HN       GLY   4 -21.412   2.600   1.020
  624    HA2  GLY   4           HA1      GLY   4 -20.378   4.606   0.277
  625    HA3  GLY   4           HA2      GLY   4 -18.820   3.796   0.339
  626    H    SER   5           HN       SER   5 -19.964   5.330  -1.851
  627    HA   SER   5           HA       SER   5 -20.430   3.269  -3.871
  628    HG   SER   5           HG       SER   5 -22.093   5.174  -5.894
  629    HB2  SER   5           HB2      SER   5 -21.928   5.262  -3.799
  630    HB3  SER   5           HB3      SER   5 -20.537   6.281  -4.174
  631    H    SER   6           HN       SER   6 -18.789   2.499  -4.962
  632    HA   SER   6           HA       SER   6 -16.715   4.209  -6.014
  633    HG   SER   6           HG       SER   6 -14.466   2.363  -5.885
  634    HB2  SER   6           HB2      SER   6 -15.880   3.563  -3.736
  635    HB3  SER   6           HB3      SER   6 -15.973   1.874  -4.225
  636    H    ALA   7           HN       ALA   7 -18.721   2.907  -7.303
  637    HA   ALA   7           HA       ALA   7 -19.259   1.447  -8.948
  638    HB1  ALA   7           HB1      ALA   7 -16.347   0.641  -8.910
  639    HB2  ALA   7           HB2      ALA   7 -17.528   0.209 -10.146
  640    HB3  ALA   7           HB3      ALA   7 -17.058   1.894  -9.926
  641    H    GLY   8           HN       GLY   8 -20.496  -0.206  -8.501
  642    HA2  GLY   8           HA1      GLY   8 -20.597  -1.436  -6.067
  643    HA3  GLY   8           HA2      GLY   8 -21.356  -2.080  -7.510
  644    H    ALA   9           HN       ALA   9 -19.201  -2.894  -9.010
  645    HA   ALA   9           HA       ALA   9 -18.625  -5.377  -7.807
  646    HB1  ALA   9           HB1      ALA   9 -18.746  -5.093 -10.220
  647    HB2  ALA   9           HB2      ALA   9 -17.306  -4.075 -10.183
  648    HB3  ALA   9           HB3      ALA   9 -17.192  -5.779  -9.743
  649    H    LEU  10           HN       LEU  10 -16.567  -2.532  -8.374
  650    HA   LEU  10           HA       LEU  10 -14.230  -3.617  -7.240
  651    HG   LEU  10           HG       LEU  10 -13.296  -0.871  -5.885
  652    HB2  LEU  10           HB2      LEU  10 -14.133  -1.677  -8.675
  653    HB3  LEU  10           HB3      LEU  10 -15.124  -0.753  -7.563
  654   HD11  LEU  10          HD11      LEU  10 -11.697  -2.074  -8.138
  655   HD12  LEU  10          HD12      LEU  10 -11.084  -1.605  -6.555
  656   HD13  LEU  10          HD13      LEU  10 -12.235  -2.935  -6.697
  657   HD21  LEU  10          HD21      LEU  10 -11.825   0.728  -6.995
  658   HD22  LEU  10          HD22      LEU  10 -12.506   0.276  -8.558
  659   HD23  LEU  10          HD23      LEU  10 -13.519   1.066  -7.351
  660    H    LEU  11           HN       LEU  11 -16.782  -1.578  -5.878
  661    HA   LEU  11           HA       LEU  11 -15.643  -1.267  -3.327
  662    HG   LEU  11           HG       LEU  11 -18.644   0.727  -2.468
  663    HB2  LEU  11           HB2      LEU  11 -17.586  -0.013  -4.450
  664    HB3  LEU  11           HB3      LEU  11 -18.600  -1.331  -3.905
  665   HD11  LEU  11          HD11      LEU  11 -19.394  -1.381  -1.573
  666   HD12  LEU  11          HD12      LEU  11 -17.738  -1.826  -1.160
  667   HD13  LEU  11          HD13      LEU  11 -18.520  -0.475  -0.338
  668   HD21  LEU  11          HD21      LEU  11 -15.856  -0.153  -1.743
  669   HD22  LEU  11          HD22      LEU  11 -16.287   1.313  -2.622
  670   HD23  LEU  11          HD23      LEU  11 -16.786   1.116  -0.943
  671    H    ALA  12           HN       ALA  12 -17.998  -3.631  -4.565
  672    HA   ALA  12           HA       ALA  12 -18.520  -4.897  -2.117
  673    HB1  ALA  12           HB1      ALA  12 -19.919  -5.122  -4.132
  674    HB2  ALA  12           HB2      ALA  12 -18.667  -6.123  -4.865
  675    HB3  ALA  12           HB3      ALA  12 -19.501  -6.680  -3.415
  676    H    HIS  13           HN       HIS  13 -16.149  -5.736  -4.665
  677    HA   HIS  13           HA       HIS  13 -15.356  -8.084  -3.220
  678    HD1  HIS  13           HD1      HIS  13 -11.639  -8.012  -5.259
  679    HD2  HIS  13           HD2      HIS  13 -14.265  -5.068  -6.561
  680    HE1  HIS  13           HE1      HIS  13 -10.210  -6.290  -6.410
  681    HE2  HIS  13           HE2      HIS  13 -11.873  -4.715  -7.471
  682    HB2  HIS  13           HB2      HIS  13 -14.037  -8.668  -5.012
  683    HB3  HIS  13           HB3      HIS  13 -15.246  -7.666  -5.795
  684    H    ALA  14           HN       ALA  14 -14.272  -4.777  -3.308
  685    HA   ALA  14           HA       ALA  14 -11.762  -5.329  -2.019
  686    HB1  ALA  14           HB1      ALA  14 -12.041  -3.337  -3.402
  687    HB2  ALA  14           HB2      ALA  14 -13.256  -2.722  -2.281
  688    HB3  ALA  14           HB3      ALA  14 -11.584  -2.910  -1.752
  689    H    ALA  15           HN       ALA  15 -14.992  -4.327  -0.986
  690    HA   ALA  15           HA       ALA  15 -14.320  -3.881   1.732
  691    HB1  ALA  15           HB1      ALA  15 -17.009  -4.553   0.549
  692    HB2  ALA  15           HB2      ALA  15 -16.711  -3.834   2.132
  693    HB3  ALA  15           HB3      ALA  15 -16.321  -2.934   0.667
  694    H    SER  16           HN       SER  16 -15.538  -6.693  -0.028
  695    HA   SER  16           HA       SER  16 -15.991  -8.311   2.229
  696    HG   SER  16           HG       SER  16 -15.855  -8.427  -1.527
  697    HB2  SER  16           HB2      SER  16 -15.814 -10.215   0.570
  698    HB3  SER  16           HB3      SER  16 -16.993  -8.970   0.165
  699    H    LEU  17           HN       LEU  17 -13.143  -7.843   0.177
  700    HA   LEU  17           HA       LEU  17 -11.546  -9.745   1.610
  701    HG   LEU  17           HG       LEU  17 -12.063  -9.116  -1.436
  702    HB2  LEU  17           HB2      LEU  17 -10.703  -7.482  -0.205
  703    HB3  LEU  17           HB3      LEU  17  -9.664  -8.777   0.362
  704   HD11  LEU  17          HD11      LEU  17  -9.116  -9.320  -2.030
  705   HD12  LEU  17          HD12      LEU  17 -10.431  -9.641  -3.162
  706   HD13  LEU  17          HD13      LEU  17 -10.184  -8.010  -2.536
  707   HD21  LEU  17          HD21      LEU  17 -11.268 -11.426  -1.672
  708   HD22  LEU  17          HD22      LEU  17 -10.030 -11.115  -0.456
  709   HD23  LEU  17          HD23      LEU  17 -11.737 -11.054  -0.013
  710    H    GLY  18           HN       GLY  18 -12.348  -6.393   1.971
  711    HA2  GLY  18           HA1      GLY  18 -12.107  -5.113   3.884
  712    HA3  GLY  18           HA2      GLY  18 -11.143  -6.397   4.593
  713    H    VAL  19           HN       VAL  19 -10.536  -4.819   1.501
  714    HA   VAL  19           HA       VAL  19  -7.842  -4.188   2.214
  715    HB   VAL  19           HB       VAL  19  -9.472  -3.116  -0.105
  716   HG11  VAL  19          HG11      VAL  19  -7.463  -1.812   0.340
  717   HG12  VAL  19          HG12      VAL  19  -6.488  -3.281   0.298
  718   HG13  VAL  19          HG13      VAL  19  -7.304  -2.722  -1.161
  719   HG21  VAL  19          HG21      VAL  19  -8.375  -4.895  -1.424
  720   HG22  VAL  19          HG22      VAL  19  -7.700  -5.551   0.067
  721   HG23  VAL  19          HG23      VAL  19  -9.446  -5.531  -0.176
  722    H    ARG  20           HN       ARG  20  -7.014  -2.323   3.032
  723    HA   ARG  20           HA       ARG  20  -8.875  -0.076   3.473
  724    HE   ARG  20           HE       ARG  20  -9.656  -3.974   6.881
  725    HB2  ARG  20           HB2      ARG  20  -6.863  -0.998   5.518
  726    HB3  ARG  20           HB3      ARG  20  -8.187   0.136   5.738
  727    HG2  ARG  20           HG2      ARG  20  -9.799  -1.597   5.655
  728    HG3  ARG  20           HG3      ARG  20  -8.601  -2.769   5.101
  729    HD2  ARG  20           HD2      ARG  20  -7.389  -2.335   7.287
  730    HD3  ARG  20           HD3      ARG  20  -8.849  -1.493   7.811
  731   HH11  ARG  20          HH12      ARG  20  -7.589  -2.745   9.426
  732   HH12  ARG  20          HH11      ARG  20  -7.879  -4.091  10.485
  733   HH21  ARG  20          HH22      ARG  20 -10.026  -5.763   8.279
  734   HH22  ARG  20          HH21      ARG  20  -9.248  -5.788   9.837
  735    H    LEU  21           HN       LEU  21  -8.049   1.826   2.825
  736    HA   LEU  21           HA       LEU  21  -5.150   2.245   3.054
  737    HG   LEU  21           HG       LEU  21  -4.521   1.183   0.948
  738    HB2  LEU  21           HB2      LEU  21  -6.882   3.003   0.700
  739    HB3  LEU  21           HB3      LEU  21  -5.297   3.688   0.985
  740   HD11  LEU  21          HD11      LEU  21  -7.081   1.065  -0.635
  741   HD12  LEU  21          HD12      LEU  21  -5.829  -0.177  -0.603
  742   HD13  LEU  21          HD13      LEU  21  -6.737   0.197   0.863
  743   HD21  LEU  21          HD21      LEU  21  -5.307   2.692  -1.538
  744   HD22  LEU  21          HD22      LEU  21  -3.806   2.879  -0.631
  745   HD23  LEU  21          HD23      LEU  21  -4.151   1.361  -1.459
  746    H    TRP  22           HN       TRP  22  -4.749   3.940   4.304
  747    HA   TRP  22           HA       TRP  22  -6.565   6.231   4.201
  748    HD1  TRP  22           HD1      TRP  22  -4.547   6.567   8.219
  749    HE1  TRP  22           HE1      TRP  22  -3.167   4.785   9.457
  750    HE3  TRP  22           HE3      TRP  22  -6.306   2.378   5.852
  751    HZ2  TRP  22           HZ2      TRP  22  -2.860   1.980   9.437
  752    HZ3  TRP  22           HZ3      TRP  22  -5.410   0.185   6.527
  753    HH2  TRP  22           HH2      TRP  22  -3.725  -0.007   8.280
  754    HB2  TRP  22           HB2      TRP  22  -6.589   6.476   6.621
  755    HB3  TRP  22           HB3      TRP  22  -7.224   4.898   6.181
  756    H    VAL  23           HN       VAL  23  -5.581   8.229   4.740
  757    HA   VAL  23           HA       VAL  23  -2.714   8.125   4.201
  758    HB   VAL  23           HB       VAL  23  -4.001   9.405   2.590
  759   HG11  VAL  23          HG11      VAL  23  -5.894  10.074   3.939
  760   HG12  VAL  23          HG12      VAL  23  -4.863  11.106   4.930
  761   HG13  VAL  23          HG13      VAL  23  -5.139  11.502   3.232
  762   HG21  VAL  23          HG21      VAL  23  -1.725  10.130   3.095
  763   HG22  VAL  23          HG22      VAL  23  -2.752  11.494   2.650
  764   HG23  VAL  23          HG23      VAL  23  -2.345  11.211   4.344
  765    H    GLU  24           HN       GLU  24  -1.272   8.659   5.632
  766    HA   GLU  24           HA       GLU  24  -2.079  10.251   7.977
  767    HB2  GLU  24           HB2      GLU  24  -1.508   7.888   8.522
  768    HB3  GLU  24           HB3      GLU  24   0.085   8.135   7.823
  769    HG2  GLU  24           HG2      GLU  24   0.542   9.847   9.522
  770    HG3  GLU  24           HG3      GLU  24  -1.041   9.544  10.232
  771    H    GLY  25           HN       GLY  25  -1.125  12.201   8.012
  772    HA2  GLY  25           HA1      GLY  25   0.227  13.942   7.352
  773    HA3  GLY  25           HA2      GLY  25   1.469  12.749   6.982
  774    H    GLU  26           HN       GLU  26   1.985  12.493   4.904
  775    HA   GLU  26           HA       GLU  26  -0.061  13.164   2.888
  776    HB2  GLU  26           HB2      GLU  26   1.648  13.836   1.392
  777    HB3  GLU  26           HB3      GLU  26   2.055  14.574   2.932
  778    HG2  GLU  26           HG2      GLU  26   3.268  11.994   1.986
  779    HG3  GLU  26           HG3      GLU  26   3.957  13.571   1.618
  780    H    ARG  27           HN       ARG  27   1.699  10.699   4.337
  781    HA   ARG  27           HA       ARG  27   2.011   9.141   1.892
  782    HE   ARG  27           HE       ARG  27   5.500   9.272   1.817
  783    HB2  ARG  27           HB2      ARG  27   3.844   9.469   3.674
  784    HB3  ARG  27           HB3      ARG  27   2.941   8.298   4.623
  785    HG2  ARG  27           HG2      ARG  27   4.834   7.344   3.319
  786    HG3  ARG  27           HG3      ARG  27   3.267   6.600   2.981
  787    HD2  ARG  27           HD2      ARG  27   4.562   7.009   0.926
  788    HD3  ARG  27           HD3      ARG  27   3.051   7.915   0.951
  789   HH11  ARG  27          HH12      ARG  27   2.999   8.862  -0.608
  790   HH12  ARG  27          HH11      ARG  27   3.363  10.347  -1.421
  791   HH21  ARG  27          HH22      ARG  27   5.989  11.201   0.750
  792   HH22  ARG  27          HH21      ARG  27   5.078  11.684  -0.653
  793    H    LEU  28           HN       LEU  28   1.127   7.162   1.569
  794    HA   LEU  28           HA       LEU  28  -1.450   6.787   2.835
  795    HG   LEU  28           HG       LEU  28  -2.556   5.162  -0.340
  796    HB2  LEU  28           HB2      LEU  28  -1.042   6.814   0.346
  797    HB3  LEU  28           HB3      LEU  28  -0.185   5.302   0.524
  798   HD11  LEU  28          HD11      LEU  28  -1.919   3.615   2.160
  799   HD12  LEU  28          HD12      LEU  28  -3.097   3.163   0.929
  800   HD13  LEU  28          HD13      LEU  28  -1.380   3.217   0.528
  801   HD21  LEU  28          HD21      LEU  28  -3.202   5.812   2.529
  802   HD22  LEU  28          HD22      LEU  28  -3.570   6.810   1.123
  803   HD23  LEU  28          HD23      LEU  28  -4.352   5.239   1.321
  804    H    ARG  29           HN       ARG  29  -1.913   5.229   4.277
  805    HA   ARG  29           HA       ARG  29   0.081   3.133   4.811
  806    HE   ARG  29           HE       ARG  29   0.849   6.372   8.597
  807    HB2  ARG  29           HB2      ARG  29  -2.135   4.352   6.418
  808    HB3  ARG  29           HB3      ARG  29  -1.625   2.713   6.781
  809    HG2  ARG  29           HG2      ARG  29  -0.541   4.319   8.240
  810    HG3  ARG  29           HG3      ARG  29   0.640   3.504   7.217
  811    HD2  ARG  29           HD2      ARG  29   0.846   5.405   5.806
  812    HD3  ARG  29           HD3      ARG  29  -0.535   6.192   6.563
  813   HH11  ARG  29          HH12      ARG  29   2.458   5.822   5.546
  814   HH12  ARG  29          HH11      ARG  29   3.916   6.627   6.028
  815   HH21  ARG  29          HH22      ARG  29   2.725   7.464   9.231
  816   HH22  ARG  29          HH21      ARG  29   4.064   7.588   8.118
  817    H    PHE  30           HN       PHE  30  -0.365   1.014   4.392
  818    HA   PHE  30           HA       PHE  30  -2.913   0.538   2.979
  819    HD1  PHE  30           HD2      PHE  30  -3.131  -2.107   1.835
  820    HD2  PHE  30           HD1      PHE  30  -0.880   0.803  -0.302
  821    HE1  PHE  30           HE2      PHE  30  -4.408  -2.617  -0.203
  822    HE2  PHE  30           HE1      PHE  30  -2.157   0.307  -2.345
  823    HZ   PHE  30           HZ       PHE  30  -3.921  -1.413  -2.298
  824    HB2  PHE  30           HB2      PHE  30  -0.433   0.483   1.894
  825    HB3  PHE  30           HB3      PHE  30  -0.573  -1.191   2.414
  826    H    GLN  31           HN       GLN  31  -4.173  -1.082   3.692
  827    HA   GLN  31           HA       GLN  31  -2.942  -3.176   5.361
  828    HB2  GLN  31           HB2      GLN  31  -4.236  -1.523   6.737
  829    HB3  GLN  31           HB3      GLN  31  -5.676  -1.977   5.836
  830    HG2  GLN  31           HG2      GLN  31  -5.646  -3.126   7.943
  831    HG3  GLN  31           HG3      GLN  31  -5.417  -4.291   6.638
  832   HE21  GLN  31          HE21      GLN  31  -3.947  -2.642   9.302
  833   HE22  GLN  31          HE22      GLN  31  -2.532  -3.638   9.409
  834    H    ALA  32           HN       ALA  32  -3.245  -5.122   4.495
  835    HA   ALA  32           HA       ALA  32  -5.738  -5.774   3.171
  836    HB1  ALA  32           HB1      ALA  32  -4.705  -6.456   1.077
  837    HB2  ALA  32           HB2      ALA  32  -4.424  -4.740   1.374
  838    HB3  ALA  32           HB3      ALA  32  -3.131  -5.907   1.659
  839    HA   PRO  33           HA       PRO  33  -4.718  -9.663   5.087
  840    HB2  PRO  33           HB2      PRO  33  -6.541 -11.184   3.711
  841    HB3  PRO  33           HB3      PRO  33  -6.942 -10.197   5.121
  842    HG2  PRO  33           HG2      PRO  33  -7.297  -9.592   2.218
  843    HG3  PRO  33           HG3      PRO  33  -8.392  -9.268   3.573
  844    HD2  PRO  33           HD2      PRO  33  -6.853  -7.339   2.491
  845    HD3  PRO  33           HD3      PRO  33  -7.226  -7.379   4.228
  846    HA   PRO  34           HA       PRO  34  -1.806 -11.545   2.429
  847    HB2  PRO  34           HB2      PRO  34  -2.130 -14.211   3.083
  848    HB3  PRO  34           HB3      PRO  34  -1.174 -13.049   4.007
  849    HG2  PRO  34           HG2      PRO  34  -3.964 -14.010   4.481
  850    HG3  PRO  34           HG3      PRO  34  -2.676 -13.686   5.656
  851    HD2  PRO  34           HD2      PRO  34  -4.689 -11.963   5.271
  852    HD3  PRO  34           HD3      PRO  34  -3.039 -11.398   5.606
  853    H    GLY  35           HN       GLY  35  -2.068 -11.685   0.308
  854    HA2  GLY  35           HA1      GLY  35  -2.352 -13.336  -1.463
  855    HA3  GLY  35           HA2      GLY  35  -3.866 -13.791  -0.701
  856    H    VAL  36           HN       VAL  36  -4.605 -10.941  -0.249
  857    HA   VAL  36           HA       VAL  36  -5.964 -10.718  -2.799
  858    HB   VAL  36           HB       VAL  36  -7.431  -9.148  -1.744
  859   HG11  VAL  36          HG11      VAL  36  -8.250 -10.455   0.156
  860   HG12  VAL  36          HG12      VAL  36  -7.808 -11.490  -1.203
  861   HG13  VAL  36          HG13      VAL  36  -6.734 -11.355   0.188
  862   HG21  VAL  36          HG21      VAL  36  -5.506  -9.131   0.581
  863   HG22  VAL  36          HG22      VAL  36  -5.779  -7.809  -0.555
  864   HG23  VAL  36          HG23      VAL  36  -7.071  -8.317   0.530
  865    H    MET  37           HN       MET  37  -3.051  -9.646  -1.903
  866    HA   MET  37           HA       MET  37  -3.377  -6.892  -2.805
  867    HB2  MET  37           HB2      MET  37  -1.997  -7.551  -0.756
  868    HB3  MET  37           HB3      MET  37  -0.804  -8.163  -1.891
  869    HG2  MET  37           HG2      MET  37  -0.043  -6.033  -1.390
  870    HG3  MET  37           HG3      MET  37  -0.866  -5.824  -2.933
  871    HE1  MET  37           HE1      MET  37  -3.171  -4.563  -3.240
  872    HE2  MET  37           HE2      MET  37  -3.962  -5.716  -2.168
  873    HE3  MET  37           HE3      MET  37  -4.163  -3.983  -1.904
  874    H    THR  38           HN       THR  38  -3.484  -9.368  -4.529
  875    HA   THR  38           HA       THR  38  -1.261  -9.665  -6.147
  876    HB   THR  38           HB       THR  38  -2.962 -10.336  -7.932
  877    HG1  THR  38           HG1      THR  38  -5.112 -10.535  -7.140
  878   HG21  THR  38          HG21      THR  38  -1.917 -11.973  -6.478
  879   HG22  THR  38          HG22      THR  38  -3.622 -12.371  -6.685
  880   HG23  THR  38          HG23      THR  38  -3.070 -11.607  -5.194
  881    HA   PRO  39           HA       PRO  39  -0.466  -6.014  -8.423
  882    HB2  PRO  39           HB2      PRO  39  -0.464  -7.805 -10.812
  883    HB3  PRO  39           HB3      PRO  39   0.741  -6.622 -10.290
  884    HG2  PRO  39           HG2      PRO  39   1.144  -9.223  -9.915
  885    HG3  PRO  39           HG3      PRO  39   1.635  -8.038  -8.690
  886    HD2  PRO  39           HD2      PRO  39  -0.667  -9.928  -8.687
  887    HD3  PRO  39           HD3      PRO  39   0.297  -9.314  -7.328
  888    H    GLU  40           HN       GLU  40  -2.848  -8.218  -9.920
  889    HA   GLU  40           HA       GLU  40  -3.965  -6.254 -11.619
  890    HB2  GLU  40           HB2      GLU  40  -4.283  -8.714 -11.925
  891    HB3  GLU  40           HB3      GLU  40  -5.364  -8.705 -10.537
  892    HG2  GLU  40           HG2      GLU  40  -6.772  -7.039 -11.748
  893    HG3  GLU  40           HG3      GLU  40  -5.751  -7.289 -13.161
  894    H    LEU  41           HN       LEU  41  -4.644  -7.225  -8.305
  895    HA   LEU  41           HA       LEU  41  -7.098  -5.806  -8.100
  896    HG   LEU  41           HG       LEU  41  -7.954  -5.504  -5.869
  897    HB2  LEU  41           HB2      LEU  41  -6.414  -7.661  -6.585
  898    HB3  LEU  41           HB3      LEU  41  -5.222  -6.592  -5.872
  899   HD11  LEU  41          HD11      LEU  41  -8.707  -6.914  -4.013
  900   HD12  LEU  41          HD12      LEU  41  -8.492  -7.846  -5.495
  901   HD13  LEU  41          HD13      LEU  41  -7.282  -7.935  -4.215
  902   HD21  LEU  41          HD21      LEU  41  -7.333  -4.923  -3.576
  903   HD22  LEU  41          HD22      LEU  41  -5.856  -5.875  -3.731
  904   HD23  LEU  41          HD23      LEU  41  -6.083  -4.433  -4.719
  905    H    GLN  42           HN       GLN  42  -3.725  -4.987  -7.517
  906    HA   GLN  42           HA       GLN  42  -4.147  -2.423  -6.430
  907    HB2  GLN  42           HB2      GLN  42  -1.960  -3.452  -6.352
  908    HB3  GLN  42           HB3      GLN  42  -1.875  -3.505  -8.106
  909    HG2  GLN  42           HG2      GLN  42  -0.485  -1.730  -7.247
  910    HG3  GLN  42           HG3      GLN  42  -1.826  -1.061  -8.177
  911   HE21  GLN  42          HE21      GLN  42  -2.225  -2.295  -4.935
  912   HE22  GLN  42          HE22      GLN  42  -2.509  -0.764  -4.189
  913    H    SER  43           HN       SER  43  -3.996  -3.604  -9.746
  914    HA   SER  43           HA       SER  43  -4.226  -1.068 -10.994
  915    HG   SER  43           HG       SER  43  -5.110  -2.869 -13.972
  916    HB2  SER  43           HB2      SER  43  -3.409  -3.100 -12.154
  917    HB3  SER  43           HB3      SER  43  -5.027  -3.790 -12.051
  918    H    ARG  44           HN       ARG  44  -6.540  -3.420  -9.779
  919    HA   ARG  44           HA       ARG  44  -8.891  -2.245 -10.801
  920    HE   ARG  44           HE       ARG  44  -8.781  -6.811 -11.688
  921    HB2  ARG  44           HB2      ARG  44  -8.544  -3.768  -8.211
  922    HB3  ARG  44           HB3      ARG  44 -10.069  -3.467  -9.029
  923    HG2  ARG  44           HG2      ARG  44  -7.793  -5.163 -10.040
  924    HG3  ARG  44           HG3      ARG  44  -9.342  -5.732  -9.417
  925    HD2  ARG  44           HD2      ARG  44 -10.475  -4.541 -11.266
  926    HD3  ARG  44           HD3      ARG  44  -8.893  -4.095 -11.907
  927   HH11  ARG  44          HH12      ARG  44 -10.845  -4.517 -13.331
  928   HH12  ARG  44          HH11      ARG  44 -11.359  -5.652 -14.550
  929   HH21  ARG  44          HH22      ARG  44  -9.389  -8.302 -13.284
  930   HH22  ARG  44          HH21      ARG  44 -10.523  -7.824 -14.523
  931    H    LEU  45           HN       LEU  45  -7.121  -1.780  -7.766
  932    HA   LEU  45           HA       LEU  45  -8.826   0.206  -6.692
  933    HG   LEU  45           HG       LEU  45  -7.151  -2.235  -5.661
  934    HB2  LEU  45           HB2      LEU  45  -5.864  -0.183  -6.239
  935    HB3  LEU  45           HB3      LEU  45  -6.944   0.745  -5.217
  936   HD11  LEU  45          HD11      LEU  45  -6.242  -2.445  -3.405
  937   HD12  LEU  45          HD12      LEU  45  -5.094  -1.659  -4.489
  938   HD13  LEU  45          HD13      LEU  45  -6.012  -0.697  -3.332
  939   HD21  LEU  45          HD21      LEU  45  -8.684  -2.177  -3.768
  940   HD22  LEU  45          HD22      LEU  45  -8.514  -0.424  -3.668
  941   HD23  LEU  45          HD23      LEU  45  -9.274  -1.155  -5.080
  942    H    GLY  46           HN       GLY  46  -5.839   0.368  -8.596
  943    HA2  GLY  46           HA1      GLY  46  -5.385   1.864 -10.321
  944    HA3  GLY  46           HA2      GLY  46  -6.796   2.802  -9.856
  945    H    GLY  47           HN       GLY  47  -5.701   2.664  -7.005
  946    HA2  GLY  47           HA1      GLY  47  -4.437   4.023  -5.639
  947    HA3  GLY  47           HA2      GLY  47  -3.376   4.316  -7.012
  948    H    ALA  48           HN       ALA  48  -6.723   4.879  -7.457
  949    HA   ALA  48           HA       ALA  48  -6.237   7.640  -8.048
  950    HB1  ALA  48           HB1      ALA  48  -8.798   6.044  -8.017
  951    HB2  ALA  48           HB2      ALA  48  -8.627   7.684  -8.643
  952    HB3  ALA  48           HB3      ALA  48  -7.769   6.350  -9.416
  953    H    ARG  49           HN       ARG  49  -7.271   9.432  -7.064
  954    HA   ARG  49           HA       ARG  49  -7.092   9.262  -4.233
  955    HE   ARG  49           HE       ARG  49  -5.696  11.293  -7.925
  956    HB2  ARG  49           HB2      ARG  49  -7.770  11.706  -4.338
  957    HB3  ARG  49           HB3      ARG  49  -6.289  11.255  -5.170
  958    HG2  ARG  49           HG2      ARG  49  -8.080  11.006  -7.180
  959    HG3  ARG  49           HG3      ARG  49  -8.816  12.303  -6.234
  960    HD2  ARG  49           HD2      ARG  49  -7.324  13.224  -7.916
  961    HD3  ARG  49           HD3      ARG  49  -6.696  13.539  -6.299
  962   HH11  ARG  49          HH12      ARG  49  -5.118  14.250  -6.159
  963   HH12  ARG  49          HH11      ARG  49  -3.395  14.021  -6.083
  964   HH21  ARG  49          HH22      ARG  49  -3.435  10.983  -7.837
  965   HH22  ARG  49          HH21      ARG  49  -2.439  12.157  -7.017
  966    H    HIS  50           HN       HIS  50  -9.854   9.972  -6.392
  967    HA   HIS  50           HA       HIS  50 -11.735  10.143  -4.298
  968    HD1  HIS  50           HD1      HIS  50 -13.038   7.553  -7.566
  969    HD2  HIS  50           HD2      HIS  50 -10.951  10.968  -8.722
  970    HE1  HIS  50           HE1      HIS  50 -12.271   7.122  -9.916
  971    HE2  HIS  50           HE2      HIS  50 -10.827   9.098 -10.502
  972    HB2  HIS  50           HB2      HIS  50 -13.461   9.769  -6.090
  973    HB3  HIS  50           HB3      HIS  50 -12.356  11.103  -6.383
  974    H    GLU  51           HN       GLU  51 -10.415   7.428  -6.016
  975    HA   GLU  51           HA       GLU  51 -12.415   5.546  -5.296
  976    HB2  GLU  51           HB2      GLU  51  -9.984   5.542  -6.794
  977    HB3  GLU  51           HB3      GLU  51  -9.929   4.217  -5.639
  978    HG2  GLU  51           HG2      GLU  51 -10.852   3.397  -7.673
  979    HG3  GLU  51           HG3      GLU  51 -12.145   3.473  -6.477
  980    H    LEU  52           HN       LEU  52  -9.262   6.403  -3.926
  981    HA   LEU  52           HA       LEU  52  -9.312   4.424  -1.906
  982    HG   LEU  52           HG       LEU  52  -7.104   5.736  -3.882
  983    HB2  LEU  52           HB2      LEU  52  -7.787   7.026  -1.960
  984    HB3  LEU  52           HB3      LEU  52  -7.469   5.676  -0.887
  985   HD11  LEU  52          HD11      LEU  52  -4.756   5.342  -3.328
  986   HD12  LEU  52          HD12      LEU  52  -5.345   6.851  -2.631
  987   HD13  LEU  52          HD13      LEU  52  -5.150   5.423  -1.611
  988   HD21  LEU  52          HD21      LEU  52  -6.713   3.434  -1.975
  989   HD22  LEU  52          HD22      LEU  52  -7.984   3.564  -3.191
  990   HD23  LEU  52          HD23      LEU  52  -6.296   3.445  -3.688
  991    H    ILE  53           HN       ILE  53 -10.602   7.660  -2.110
  992    HA   ILE  53           HA       ILE  53 -11.193   8.046   0.618
  993    HB   ILE  53           HB       ILE  53 -12.699   9.049  -1.809
  994   HG12  ILE  53          HG12      ILE  53 -10.651  10.447  -0.072
  995   HG13  ILE  53          HG13      ILE  53 -10.302   9.733  -1.643
  996   HG21  ILE  53          HG21      ILE  53 -14.111   9.137   0.167
  997   HG22  ILE  53          HG22      ILE  53 -12.835   9.960   1.066
  998   HG23  ILE  53          HG23      ILE  53 -13.610  10.763  -0.298
  999   HD11  ILE  53          HD11      ILE  53 -12.189  12.014  -1.101
 1000   HD12  ILE  53          HD12      ILE  53 -10.590  12.121  -1.839
 1001   HD13  ILE  53          HD13      ILE  53 -11.895  11.284  -2.678
 1002    H    ALA  54           HN       ALA  54 -13.128   6.656  -2.020
 1003    HA   ALA  54           HA       ALA  54 -15.319   5.921  -0.368
 1004    HB1  ALA  54           HB1      ALA  54 -14.476   4.817  -3.042
 1005    HB2  ALA  54           HB2      ALA  54 -16.055   4.606  -2.283
 1006    HB3  ALA  54           HB3      ALA  54 -15.524   6.212  -2.781
 1007    H    LEU  55           HN       LEU  55 -12.413   4.270  -1.454
 1008    HA   LEU  55           HA       LEU  55 -12.834   1.713  -0.450
 1009    HG   LEU  55           HG       LEU  55  -9.234   1.095  -1.216
 1010    HB2  LEU  55           HB2      LEU  55 -10.888   2.686  -1.828
 1011    HB3  LEU  55           HB3      LEU  55 -10.208   3.190  -0.299
 1012   HD11  LEU  55          HD11      LEU  55 -10.658   0.796   1.418
 1013   HD12  LEU  55          HD12      LEU  55  -9.282  -0.162   0.870
 1014   HD13  LEU  55          HD13      LEU  55  -9.091   1.567   1.161
 1015   HD21  LEU  55          HD21      LEU  55 -11.973  -0.029  -0.653
 1016   HD22  LEU  55          HD22      LEU  55 -11.221   0.159  -2.238
 1017   HD23  LEU  55          HD23      LEU  55 -10.542  -0.972  -1.068
 1018    H    LEU  56           HN       LEU  56 -11.739   4.656   1.146
 1019    HA   LEU  56           HA       LEU  56 -11.339   3.438   3.700
 1020    HG   LEU  56           HG       LEU  56  -9.672   6.496   4.701
 1021    HB2  LEU  56           HB2      LEU  56 -10.398   5.669   2.653
 1022    HB3  LEU  56           HB3      LEU  56 -11.849   6.364   3.343
 1023   HD11  LEU  56          HD11      LEU  56 -12.139   5.358   6.006
 1024   HD12  LEU  56          HD12      LEU  56 -10.849   6.251   6.815
 1025   HD13  LEU  56          HD13      LEU  56 -11.865   7.055   5.619
 1026   HD21  LEU  56          HD21      LEU  56  -9.058   4.123   4.353
 1027   HD22  LEU  56          HD22      LEU  56  -9.113   4.587   6.054
 1028   HD23  LEU  56          HD23      LEU  56 -10.433   3.652   5.351
 1029    H    ARG  57           HN       ARG  57 -14.034   4.881   2.018
 1030    HA   ARG  57           HA       ARG  57 -15.735   5.376   4.211
 1031    HE   ARG  57           HE       ARG  57 -16.958   9.201   1.290
 1032    HB2  ARG  57           HB2      ARG  57 -16.363   4.689   1.340
 1033    HB3  ARG  57           HB3      ARG  57 -17.595   5.105   2.520
 1034    HG2  ARG  57           HG2      ARG  57 -16.594   7.297   2.820
 1035    HG3  ARG  57           HG3      ARG  57 -15.318   6.880   1.673
 1036    HD2  ARG  57           HD2      ARG  57 -16.973   6.612  -0.094
 1037    HD3  ARG  57           HD3      ARG  57 -18.266   6.981   1.048
 1038   HH11  ARG  57          HH12      ARG  57 -17.326   7.352  -1.662
 1039   HH12  ARG  57          HH11      ARG  57 -17.201   8.736  -2.702
 1040   HH21  ARG  57          HH22      ARG  57 -16.838  11.035  -0.067
 1041   HH22  ARG  57          HH21      ARG  57 -16.978  10.837  -1.792
 1042    H    GLN  58           HN       GLN  58 -14.899   2.445   2.527
 1043    HA   GLN  58           HA       GLN  58 -16.893   0.712   3.418
 1044    HB2  GLN  58           HB2      GLN  58 -13.936   0.128   3.157
 1045    HB3  GLN  58           HB3      GLN  58 -15.216  -1.073   3.222
 1046    HG2  GLN  58           HG2      GLN  58 -16.100  -0.295   1.114
 1047    HG3  GLN  58           HG3      GLN  58 -14.902   0.999   1.061
 1048   HE21  GLN  58          HE21      GLN  58 -12.802  -0.710   2.157
 1049   HE22  GLN  58          HE22      GLN  58 -12.320  -1.756   0.872
 1050    H    LEU  59           HN       LEU  59 -14.034   1.923   5.056
 1051    HA   LEU  59           HA       LEU  59 -14.535   0.262   7.402
 1052    HG   LEU  59           HG       LEU  59 -12.608   0.288   9.068
 1053    HB2  LEU  59           HB2      LEU  59 -12.250   0.500   6.475
 1054    HB3  LEU  59           HB3      LEU  59 -12.311   2.220   6.787
 1055   HD11  LEU  59          HD11      LEU  59 -10.618  -0.451   7.882
 1056   HD12  LEU  59          HD12      LEU  59 -10.016   1.205   7.825
 1057   HD13  LEU  59          HD13      LEU  59 -10.166   0.376   9.374
 1058   HD21  LEU  59          HD21      LEU  59 -13.021   2.657   9.499
 1059   HD22  LEU  59          HD22      LEU  59 -11.545   2.128  10.307
 1060   HD23  LEU  59          HD23      LEU  59 -11.446   3.066   8.818
 1061    H    GLN  60           HN       GLN  60 -14.788   3.538   6.303
 1062    HA   GLN  60           HA       GLN  60 -14.988   4.749   8.886
 1063    HB2  GLN  60           HB2      GLN  60 -14.193   5.902   6.806
 1064    HB3  GLN  60           HB3      GLN  60 -15.848   5.860   6.210
 1065    HG2  GLN  60           HG2      GLN  60 -16.551   7.196   8.154
 1066    HG3  GLN  60           HG3      GLN  60 -14.868   7.288   8.671
 1067   HE21  GLN  60          HE21      GLN  60 -13.920   7.468   5.891
 1068   HE22  GLN  60          HE22      GLN  60 -14.266   9.085   5.385
 1069    HA   PRO  61           HA       PRO  61 -19.292   3.583   9.434
 1070    HB2  PRO  61           HB2      PRO  61 -19.580   4.747  11.870
 1071    HB3  PRO  61           HB3      PRO  61 -18.781   3.187  11.641
 1072    HG2  PRO  61           HG2      PRO  61 -17.575   5.904  11.980
 1073    HG3  PRO  61           HG3      PRO  61 -17.080   4.363  12.703
 1074    HD2  PRO  61           HD2      PRO  61 -15.821   5.439  10.564
 1075    HD3  PRO  61           HD3      PRO  61 -15.965   3.685  10.801
 1076    H    SER  62           HN       SER  62 -21.132   4.612   8.916
 1077    HA   SER  62           HA       SER  62 -20.988   7.507   8.522
 1078    HG   SER  62           HG       SER  62 -22.671   7.988   6.291
 1079    HB2  SER  62           HB2      SER  62 -21.625   6.142   6.571
 1080    HB3  SER  62           HB3      SER  62 -22.986   5.482   7.474
 1081    H    SER  63           HN       SER  63 -22.243   5.213  10.652
 1082    HA   SER  63           HA       SER  63 -23.697   5.243  12.381
 1083    HG   SER  63           HG       SER  63 -21.739   8.150  12.828
 1084    HB2  SER  63           HB2      SER  63 -23.670   8.253  12.022
 1085    HB3  SER  63           HB3      SER  63 -24.217   7.378  13.453
 1086    H    GLN  64           HN       GLN  64 -25.419   4.196  11.554
 1087    HA   GLN  64           HA       GLN  64 -27.254   5.678   9.815
 1088    HB2  GLN  64           HB2      GLN  64 -26.978   2.701  10.279
 1089    HB3  GLN  64           HB3      GLN  64 -28.136   3.447   9.190
 1090    HG2  GLN  64           HG2      GLN  64 -26.388   2.692   7.831
 1091    HG3  GLN  64           HG3      GLN  64 -26.160   4.432   7.964
 1092   HE21  GLN  64          HE21      GLN  64 -25.334   2.191  10.530
 1093   HE22  GLN  64          HE22      GLN  64 -23.615   2.394  10.395
 1094    H    GLY  65           HN       GLY  65 -27.562   3.090  12.246
 1095    HA2  GLY  65           HA1      GLY  65 -28.961   3.135  14.148
 1096    HA3  GLY  65           HA2      GLY  65 -29.769   4.556  13.494
 1097    H    GLY  66           HN       GLY  66 -31.699   3.259  14.160
 1098    HA2  GLY  66           HA1      GLY  66 -33.609   2.492  12.873
 1099    HA3  GLY  66           HA2      GLY  66 -32.506   1.517  11.912
 1100    H    SER  67           HN       SER  67 -34.560   1.602  14.616
 1101    HA   SER  67           HA       SER  67 -34.026  -1.210  15.120
 1102    HG   SER  67           HG       SER  67 -32.641  -1.781  17.255
 1103    HB2  SER  67           HB2      SER  67 -32.534   0.281  16.639
 1104    HB3  SER  67           HB3      SER  67 -34.031   0.647  17.495
 1105    H    LEU  68           HN       LEU  68 -36.062  -1.866  14.637
 1106    HA   LEU  68           HA       LEU  68 -38.228  -0.727  16.278
 1107    HG   LEU  68           HG       LEU  68 -40.618  -1.859  14.764
 1108    HB2  LEU  68           HB2      LEU  68 -38.360  -0.065  13.864
 1109    HB3  LEU  68           HB3      LEU  68 -38.515  -1.762  13.456
 1110   HD11  LEU  68          HD11      LEU  68 -40.158  -0.039  16.321
 1111   HD12  LEU  68          HD12      LEU  68 -40.253   1.122  14.998
 1112   HD13  LEU  68          HD13      LEU  68 -41.686   0.212  15.477
 1113   HD21  LEU  68          HD21      LEU  68 -40.562   0.263  12.621
 1114   HD22  LEU  68          HD22      LEU  68 -40.672  -1.477  12.351
 1115   HD23  LEU  68          HD23      LEU  68 -41.984  -0.625  13.164
 1116    H    LEU  69           HN       LEU  69 -36.334  -3.278  15.961
 1117    HA   LEU  69           HA       LEU  69 -38.298  -5.396  15.983
 1118    HG   LEU  69           HG       LEU  69 -35.339  -6.908  14.363
 1119    HB2  LEU  69           HB2      LEU  69 -35.308  -5.325  16.241
 1120    HB3  LEU  69           HB3      LEU  69 -36.205  -6.785  16.611
 1121   HD11  LEU  69          HD11      LEU  69 -37.505  -7.941  14.774
 1122   HD12  LEU  69          HD12      LEU  69 -38.314  -6.430  14.355
 1123   HD13  LEU  69          HD13      LEU  69 -37.406  -7.312  13.128
 1124   HD21  LEU  69          HD21      LEU  69 -35.119  -4.538  13.880
 1125   HD22  LEU  69          HD22      LEU  69 -36.054  -5.342  12.619
 1126   HD23  LEU  69          HD23      LEU  69 -36.874  -4.367  13.838
 1127    H    ALA  70           HN       ALA  70 -36.521  -3.488  18.251
 1128    HA   ALA  70           HA       ALA  70 -38.117  -4.723  20.387
 1129    HB1  ALA  70           HB1      ALA  70 -35.308  -3.677  20.715
 1130    HB2  ALA  70           HB2      ALA  70 -36.314  -4.414  21.962
 1131    HB3  ALA  70           HB3      ALA  70 -35.742  -5.384  20.603
 1132    HA   PRO  71           HA       PRO  71 -38.784  -0.150  20.196
 1133    HB2  PRO  71           HB2      PRO  71 -41.333  -0.088  19.437
 1134    HB3  PRO  71           HB3      PRO  71 -40.057  -0.431  18.264
 1135    HG2  PRO  71           HG2      PRO  71 -41.964  -2.300  19.589
 1136    HG3  PRO  71           HG3      PRO  71 -41.335  -2.325  17.932
 1137    HD2  PRO  71           HD2      PRO  71 -40.389  -3.856  20.086
 1138    HD3  PRO  71           HD3      PRO  71 -39.555  -3.598  18.540
 1139    H    VAL  72           HN       VAL  72 -39.795  -2.672  22.075
 1140    HA   VAL  72           HA       VAL  72 -40.941  -2.960  24.008
 1141    HB   VAL  72           HB       VAL  72 -40.634   0.024  24.394
 1142   HG11  VAL  72          HG11      VAL  72 -42.183  -1.014  25.958
 1143   HG12  VAL  72          HG12      VAL  72 -40.975  -2.231  26.370
 1144   HG13  VAL  72          HG13      VAL  72 -40.699  -0.538  26.784
 1145   HG21  VAL  72          HG21      VAL  72 -38.736  -2.188  25.163
 1146   HG22  VAL  72          HG22      VAL  72 -38.485  -1.026  23.861
 1147   HG23  VAL  72          HG23      VAL  72 -38.542  -0.474  25.534
 1148    H    ALA  73           HN       ALA  73 -42.685  -3.399  22.448
 1149    HA   ALA  73           HA       ALA  73 -44.699  -1.375  22.050
 1150    HB1  ALA  73           HB1      ALA  73 -44.285  -3.052  20.324
 1151    HB2  ALA  73           HB2      ALA  73 -44.760  -4.331  21.442
 1152    HB3  ALA  73           HB3      ALA  73 -45.948  -3.144  20.908
 1153    H    ARG  74           HN       ARG  74 -45.540  -0.762  23.972
 1154    HA   ARG  74           HA       ARG  74 -46.391  -2.710  25.928
 1155    HE   ARG  74           HE       ARG  74 -45.027  -2.659  27.770
 1156    HB2  ARG  74           HB2      ARG  74 -45.438  -0.515  26.572
 1157    HB3  ARG  74           HB3      ARG  74 -46.820   0.281  25.840
 1158    HG2  ARG  74           HG2      ARG  74 -46.969   0.115  28.291
 1159    HG3  ARG  74           HG3      ARG  74 -48.304  -0.680  27.456
 1160    HD2  ARG  74           HD2      ARG  74 -47.369  -1.959  29.388
 1161    HD3  ARG  74           HD3      ARG  74 -47.372  -2.835  27.859
 1162   HH11  ARG  74          HH12      ARG  74 -46.338  -1.117  30.631
 1163   HH12  ARG  74          HH11      ARG  74 -44.849  -1.205  31.517
 1164   HH21  ARG  74          HH22      ARG  74 -43.065  -2.765  28.918
 1165   HH22  ARG  74          HH21      ARG  74 -42.976  -2.137  30.538
 1166    H    ASN  75           HN       ASN  75 -48.463  -3.309  26.395
 1167    HA   ASN  75           HA       ASN  75 -50.664  -3.756  26.075
 1168    HB2  ASN  75           HB2      ASN  75 -51.001  -1.280  25.979
 1169    HB3  ASN  75           HB3      ASN  75 -50.744  -1.348  24.239
 1170   HD21  ASN  75          HD21      ASN  75 -52.885  -2.132  26.858
 1171   HD22  ASN  75          HD22      ASN  75 -54.286  -2.447  25.878
 1172    H    GLY  76           HN       GLY  76 -50.366  -5.675  25.094
 1173    HA2  GLY  76           HA1      GLY  76 -49.311  -5.833  22.410
 1174    HA3  GLY  76           HA2      GLY  76 -49.701  -7.181  23.465
 1175    H    ARG  77           HN       ARG  77 -51.552  -4.534  21.957
 1176    HA   ARG  77           HA       ARG  77 -53.401  -6.587  20.945
 1177    HE   ARG  77           HE       ARG  77 -55.819  -6.667  24.417
 1178    HB2  ARG  77           HB2      ARG  77 -53.792  -3.693  21.639
 1179    HB3  ARG  77           HB3      ARG  77 -54.834  -4.442  20.437
 1180    HG2  ARG  77           HG2      ARG  77 -55.913  -4.510  22.578
 1181    HG3  ARG  77           HG3      ARG  77 -55.472  -6.150  22.103
 1182    HD2  ARG  77           HD2      ARG  77 -53.427  -5.921  23.515
 1183    HD3  ARG  77           HD3      ARG  77 -54.058  -4.377  24.085
 1184   HH11  ARG  77          HH12      ARG  77 -53.431  -4.550  25.858
 1185   HH12  ARG  77          HH11      ARG  77 -53.841  -4.979  27.492
 1186   HH21  ARG  77          HH22      ARG  77 -56.352  -7.252  26.568
 1187   HH22  ARG  77          HH21      ARG  77 -55.456  -6.555  27.888
 1188    H    LEU  78           HN       LEU  78 -52.457  -7.238  19.111
 1189    HA   LEU  78           HA       LEU  78 -51.963  -5.199  17.045
 1190    HG   LEU  78           HG       LEU  78 -49.695  -5.945  19.043
 1191    HB2  LEU  78           HB2      LEU  78 -50.419  -7.756  17.511
 1192    HB3  LEU  78           HB3      LEU  78 -50.186  -6.675  16.152
 1193   HD11  LEU  78          HD11      LEU  78 -47.321  -5.975  18.380
 1194   HD12  LEU  78          HD12      LEU  78 -48.076  -7.566  18.279
 1195   HD13  LEU  78          HD13      LEU  78 -47.792  -6.631  16.811
 1196   HD21  LEU  78          HD21      LEU  78 -49.094  -4.443  16.495
 1197   HD22  LEU  78          HD22      LEU  78 -50.358  -4.038  17.655
 1198   HD23  LEU  78          HD23      LEU  78 -48.662  -3.935  18.128
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  13.771  -1.171  25.387
    2    H2   GLY   1           H2       GLY   1  14.166   0.114  26.416
    3    H3   GLY   1           H3       GLY   1  15.105  -0.182  25.035
    4    HA2  GLY   1           HA2      GLY   1  12.276   0.716  25.091
    5    HA3  GLY   1           HA1      GLY   1  13.669   1.704  24.667
    6    HA   PRO   2           HA       PRO   2  12.180   0.325  20.590
    7    HB2  PRO   2           HB2      PRO   2  13.957   2.498  19.693
    8    HB3  PRO   2           HB3      PRO   2  12.236   2.253  19.379
    9    HG2  PRO   2           HG2      PRO   2  13.112   4.193  21.014
   10    HG3  PRO   2           HG3      PRO   2  11.595   3.326  21.315
   11    HD2  PRO   2           HD2      PRO   2  14.272   2.963  22.604
   12    HD3  PRO   2           HD3      PRO   2  12.656   2.945  23.342
   13    H    LEU   3           HN       LEU   3  13.237  -1.564  20.274
   14    HA   LEU   3           HA       LEU   3  16.015  -1.371  19.326
   15    HG   LEU   3           HG       LEU   3  17.376  -3.989  21.568
   16    HB2  LEU   3           HB2      LEU   3  15.610  -2.383  21.703
   17    HB3  LEU   3           HB3      LEU   3  15.018  -3.776  20.826
   18   HD11  LEU   3          HD11      LEU   3  17.006  -3.963  18.580
   19   HD12  LEU   3          HD12      LEU   3  18.277  -4.812  19.460
   20   HD13  LEU   3          HD13      LEU   3  16.592  -5.288  19.668
   21   HD21  LEU   3          HD21      LEU   3  18.060  -1.677  21.357
   22   HD22  LEU   3          HD22      LEU   3  19.109  -2.714  20.391
   23   HD23  LEU   3          HD23      LEU   3  17.855  -1.753  19.608
   24    H    GLY   4           HN       GLY   4  16.250  -2.176  17.334
   25    HA2  GLY   4           HA1      GLY   4  15.341  -4.563  16.351
   26    HA3  GLY   4           HA2      GLY   4  14.044  -3.429  16.008
   27    H    SER   5           HN       SER   5  17.616  -3.253  15.843
   28    HA   SER   5           HA       SER   5  17.410  -1.830  13.343
   29    HG   SER   5           HG       SER   5  20.038  -0.664  13.115
   30    HB2  SER   5           HB2      SER   5  19.191  -1.251  14.959
   31    HB3  SER   5           HB3      SER   5  19.876  -2.865  14.769
   32    H    SER   6           HN       SER   6  16.548  -3.151  11.852
   33    HA   SER   6           HA       SER   6  18.256  -5.351  10.944
   34    HG   SER   6           HG       SER   6  17.222  -6.107  12.937
   35    HB2  SER   6           HB2      SER   6  15.240  -5.517  11.222
   36    HB3  SER   6           HB3      SER   6  16.279  -6.758  10.523
   37    H    ALA   7           HN       ALA   7  18.188  -2.740   9.980
   38    HA   ALA   7           HA       ALA   7  16.305  -2.226   7.957
   39    HB1  ALA   7           HB1      ALA   7  19.143  -1.221   8.141
   40    HB2  ALA   7           HB2      ALA   7  17.834  -0.505   7.201
   41    HB3  ALA   7           HB3      ALA   7  17.754  -0.511   8.964
   42    H    GLY   8           HN       GLY   8  19.636  -3.462   7.694
   43    HA2  GLY   8           HA1      GLY   8  19.623  -3.972   4.952
   44    HA3  GLY   8           HA2      GLY   8  20.645  -4.785   6.127
   45    H    ALA   9           HN       ALA   9  18.605  -5.996   7.658
   46    HA   ALA   9           HA       ALA   9  18.127  -8.337   6.144
   47    HB1  ALA   9           HB1      ALA   9  16.887  -9.115   8.087
   48    HB2  ALA   9           HB2      ALA   9  18.395  -8.347   8.584
   49    HB3  ALA   9           HB3      ALA   9  16.868  -7.480   8.751
   50    H    LEU  10           HN       LEU  10  16.062  -5.651   7.159
   51    HA   LEU  10           HA       LEU  10  13.643  -6.639   6.091
   52    HG   LEU  10           HG       LEU  10  12.731  -3.717   5.068
   53    HB2  LEU  10           HB2      LEU  10  13.589  -4.897   7.708
   54    HB3  LEU  10           HB3      LEU  10  14.607  -3.853   6.734
   55   HD11  LEU  10          HD11      LEU  10  11.181  -5.069   7.271
   56   HD12  LEU  10          HD12      LEU  10  10.499  -4.368   5.803
   57   HD13  LEU  10          HD13      LEU  10  11.570  -5.765   5.698
   58   HD21  LEU  10          HD21      LEU  10  12.119  -2.780   7.870
   59   HD22  LEU  10          HD22      LEU  10  13.137  -1.943   6.698
   60   HD23  LEU  10          HD23      LEU  10  11.411  -2.138   6.388
   61    H    LEU  11           HN       LEU  11  16.064  -4.410   4.815
   62    HA   LEU  11           HA       LEU  11  14.888  -3.915   2.330
   63    HG   LEU  11           HG       LEU  11  17.971  -2.046   1.445
   64    HB2  LEU  11           HB2      LEU  11  16.784  -2.666   3.336
   65    HB3  LEU  11           HB3      LEU  11  17.825  -4.040   3.048
   66   HD11  LEU  11          HD11      LEU  11  19.055  -4.186   1.039
   67   HD12  LEU  11          HD12      LEU  11  17.570  -4.813   0.325
   68   HD13  LEU  11          HD13      LEU  11  18.437  -3.491  -0.461
   69   HD21  LEU  11          HD21      LEU  11  15.440  -3.320   0.424
   70   HD22  LEU  11          HD22      LEU  11  15.613  -1.689   1.072
   71   HD23  LEU  11          HD23      LEU  11  16.399  -2.124  -0.447
   72    H    ALA  12           HN       ALA  12  17.197  -6.424   3.332
   73    HA   ALA  12           HA       ALA  12  17.578  -7.614   0.833
   74    HB1  ALA  12           HB1      ALA  12  18.997  -8.070   2.782
   75    HB2  ALA  12           HB2      ALA  12  17.665  -8.950   3.535
   76    HB3  ALA  12           HB3      ALA  12  18.392  -9.556   2.049
   77    H    HIS  13           HN       HIS  13  15.216  -8.466   3.398
   78    HA   HIS  13           HA       HIS  13  14.237 -10.647   1.808
   79    HD1  HIS  13           HD1      HIS  13  10.661 -10.327   3.813
   80    HD2  HIS  13           HD2      HIS  13  13.600  -8.150   5.772
   81    HE1  HIS  13           HE1      HIS  13   9.436  -8.708   5.284
   82    HE2  HIS  13           HE2      HIS  13  11.243  -7.681   6.705
   83    HB2  HIS  13           HB2      HIS  13  13.016 -11.319   3.642
   84    HB3  HIS  13           HB3      HIS  13  14.332 -10.443   4.404
   85    H    ALA  14           HN       ALA  14  13.334  -7.320   2.292
   86    HA   ALA  14           HA       ALA  14  10.732  -7.556   1.141
   87    HB1  ALA  14           HB1      ALA  14  10.770  -5.129   0.995
   88    HB2  ALA  14           HB2      ALA  14  11.346  -5.666   2.573
   89    HB3  ALA  14           HB3      ALA  14  12.496  -5.122   1.354
   90    H    ALA  15           HN       ALA  15  13.925  -6.653  -0.109
   91    HA   ALA  15           HA       ALA  15  13.156  -6.119  -2.761
   92    HB1  ALA  15           HB1      ALA  15  15.342  -5.490  -1.819
   93    HB2  ALA  15           HB2      ALA  15  15.793  -7.196  -1.771
   94    HB3  ALA  15           HB3      ALA  15  15.503  -6.402  -3.321
   95    H    SER  16           HN       SER  16  14.056  -9.071  -1.112
   96    HA   SER  16           HA       SER  16  14.304 -10.714  -3.386
   97    HG   SER  16           HG       SER  16  15.629 -10.434  -0.641
   98    HB2  SER  16           HB2      SER  16  13.635 -11.452  -0.531
   99    HB3  SER  16           HB3      SER  16  14.156 -12.582  -1.780
  100    H    LEU  17           HN       LEU  17  11.554  -9.813  -1.386
  101    HA   LEU  17           HA       LEU  17   9.762 -11.582  -2.826
  102    HG   LEU  17           HG       LEU  17  10.422 -11.157   0.256
  103    HB2  LEU  17           HB2      LEU  17   9.142  -9.374  -0.859
  104    HB3  LEU  17           HB3      LEU  17   8.006 -10.568  -1.455
  105   HD11  LEU  17          HD11      LEU  17   8.690  -9.953   1.474
  106   HD12  LEU  17          HD12      LEU  17   7.481 -11.113   0.921
  107   HD13  LEU  17          HD13      LEU  17   8.773 -11.634   2.002
  108   HD21  LEU  17          HD21      LEU  17   8.189 -12.950  -0.695
  109   HD22  LEU  17          HD22      LEU  17   9.861 -12.998  -1.252
  110   HD23  LEU  17          HD23      LEU  17   9.477 -13.404   0.421
  111    H    GLY  18           HN       GLY  18  10.887  -8.326  -2.926
  112    HA2  GLY  18           HA1      GLY  18  10.680  -6.745  -4.578
  113    HA3  GLY  18           HA2      GLY  18   9.634  -7.830  -5.461
  114    H    VAL  19           HN       VAL  19   9.075  -6.848  -2.144
  115    HA   VAL  19           HA       VAL  19   6.543  -5.674  -2.730
  116    HB   VAL  19           HB       VAL  19   8.293  -5.314  -0.280
  117   HG11  VAL  19          HG11      VAL  19   6.653  -3.536  -0.478
  118   HG12  VAL  19          HG12      VAL  19   5.366  -4.722  -0.697
  119   HG13  VAL  19          HG13      VAL  19   6.225  -4.624   0.840
  120   HG21  VAL  19          HG21      VAL  19   6.786  -6.969   0.760
  121   HG22  VAL  19          HG22      VAL  19   6.029  -7.230  -0.813
  122   HG23  VAL  19          HG23      VAL  19   7.729  -7.641  -0.574
  123    H    ARG  20           HN       ARG  20   6.357  -3.807  -3.865
  124    HA   ARG  20           HA       ARG  20   8.655  -1.974  -3.743
  125    HE   ARG  20           HE       ARG  20   9.693  -5.229  -7.774
  126    HB2  ARG  20           HB2      ARG  20   6.789  -2.512  -6.059
  127    HB3  ARG  20           HB3      ARG  20   8.068  -1.304  -6.053
  128    HG2  ARG  20           HG2      ARG  20   9.717  -3.113  -5.695
  129    HG3  ARG  20           HG3      ARG  20   8.406  -4.286  -5.841
  130    HD2  ARG  20           HD2      ARG  20   7.936  -3.461  -8.104
  131    HD3  ARG  20           HD3      ARG  20   9.268  -2.313  -7.953
  132   HH11  ARG  20          HH12      ARG  20  10.400  -2.128  -9.274
  133   HH12  ARG  20          HH11      ARG  20  11.856  -2.701 -10.036
  134   HH21  ARG  20          HH22      ARG  20  11.600  -5.959  -8.779
  135   HH22  ARG  20          HH21      ARG  20  12.536  -4.869  -9.755
  136    H    LEU  21           HN       LEU  21   8.355   0.031  -3.197
  137    HA   LEU  21           HA       LEU  21   5.719   1.228  -3.493
  138    HG   LEU  21           HG       LEU  21   4.792   0.404  -1.482
  139    HB2  LEU  21           HB2      LEU  21   7.549   1.492  -1.129
  140    HB3  LEU  21           HB3      LEU  21   6.241   2.614  -1.454
  141   HD11  LEU  21          HD11      LEU  21   5.568  -1.212   0.175
  142   HD12  LEU  21          HD12      LEU  21   6.635  -1.140  -1.229
  143   HD13  LEU  21          HD13      LEU  21   7.109  -0.358   0.279
  144   HD21  LEU  21          HD21      LEU  21   4.309   0.767   0.883
  145   HD22  LEU  21          HD22      LEU  21   5.786   1.719   1.040
  146   HD23  LEU  21          HD23      LEU  21   4.471   2.294   0.015
  147    H    TRP  22           HN       TRP  22   5.658   3.147  -4.406
  148    HA   TRP  22           HA       TRP  22   7.932   4.890  -4.429
  149    HD1  TRP  22           HD1      TRP  22   6.474   5.508  -8.641
  150    HE1  TRP  22           HE1      TRP  22   4.780   4.090  -9.965
  151    HE3  TRP  22           HE3      TRP  22   6.870   1.131  -6.022
  152    HZ2  TRP  22           HZ2      TRP  22   3.762   1.455  -9.905
  153    HZ3  TRP  22           HZ3      TRP  22   5.506  -0.788  -6.721
  154    HH2  TRP  22           HH2      TRP  22   3.981  -0.629  -8.620
  155    HB2  TRP  22           HB2      TRP  22   8.252   5.001  -6.821
  156    HB3  TRP  22           HB3      TRP  22   8.444   3.329  -6.313
  157    H    VAL  23           HN       VAL  23   7.270   6.993  -4.625
  158    HA   VAL  23           HA       VAL  23   4.410   7.421  -4.882
  159    HB   VAL  23           HB       VAL  23   5.520   8.676  -3.135
  160   HG11  VAL  23          HG11      VAL  23   7.764   8.765  -4.104
  161   HG12  VAL  23          HG12      VAL  23   7.203   9.947  -5.286
  162   HG13  VAL  23          HG13      VAL  23   7.220  10.355  -3.569
  163   HG21  VAL  23          HG21      VAL  23   4.841  10.969  -3.731
  164   HG22  VAL  23          HG22      VAL  23   4.676  10.460  -5.412
  165   HG23  VAL  23          HG23      VAL  23   3.632   9.763  -4.173
  166    H    GLU  24           HN       GLU  24   3.435   7.923  -6.691
  167    HA   GLU  24           HA       GLU  24   5.106   8.739  -8.970
  168    HB2  GLU  24           HB2      GLU  24   4.100   6.404  -8.992
  169    HB3  GLU  24           HB3      GLU  24   2.531   7.180  -9.139
  170    HG2  GLU  24           HG2      GLU  24   3.212   8.198 -11.228
  171    HG3  GLU  24           HG3      GLU  24   4.814   7.473 -11.074
  172    H    GLY  25           HN       GLY  25   4.815  10.866  -9.101
  173    HA2  GLY  25           HA1      GLY  25   3.746  12.836  -9.622
  174    HA3  GLY  25           HA2      GLY  25   2.296  11.903  -9.956
  175    H    GLU  26           HN       GLU  26   0.839  11.474  -8.286
  176    HA   GLU  26           HA       GLU  26   1.061  13.390  -6.068
  177    HB2  GLU  26           HB2      GLU  26  -0.722  13.873  -7.709
  178    HB3  GLU  26           HB3      GLU  26  -1.432  12.298  -7.383
  179    HG2  GLU  26           HG2      GLU  26  -2.668  13.956  -6.191
  180    HG3  GLU  26           HG3      GLU  26  -1.766  12.986  -5.029
  181    H    ARG  27           HN       ARG  27   0.560  10.028  -6.878
  182    HA   ARG  27           HA       ARG  27  -0.326   9.572  -4.103
  183    HE   ARG  27           HE       ARG  27  -3.987   9.128  -4.251
  184    HB2  ARG  27           HB2      ARG  27  -2.065   9.163  -5.865
  185    HB3  ARG  27           HB3      ARG  27  -1.059   7.855  -6.472
  186    HG2  ARG  27           HG2      ARG  27  -2.844   7.031  -5.019
  187    HG3  ARG  27           HG3      ARG  27  -1.249   6.690  -4.343
  188    HD2  ARG  27           HD2      ARG  27  -2.773   7.497  -2.616
  189    HD3  ARG  27           HD3      ARG  27  -1.447   8.629  -2.872
  190   HH11  ARG  27          HH12      ARG  27  -1.673  10.021  -1.779
  191   HH12  ARG  27          HH11      ARG  27  -2.410  11.552  -1.431
  192   HH21  ARG  27          HH22      ARG  27  -4.976  11.155  -3.807
  193   HH22  ARG  27          HH21      ARG  27  -4.311  12.195  -2.580
  194    H    LEU  28           HN       LEU  28   0.568   8.013  -2.923
  195    HA   LEU  28           HA       LEU  28   3.018   6.802  -3.677
  196    HG   LEU  28           HG       LEU  28   3.295   5.626  -0.147
  197    HB2  LEU  28           HB2      LEU  28   2.289   7.381  -1.333
  198    HB3  LEU  28           HB3      LEU  28   1.152   6.054  -1.414
  199   HD11  LEU  28          HD11      LEU  28   3.582   3.353  -1.016
  200   HD12  LEU  28          HD12      LEU  28   1.882   3.794  -0.854
  201   HD13  LEU  28          HD13      LEU  28   2.643   3.790  -2.444
  202   HD21  LEU  28          HD21      LEU  28   4.848   6.734  -1.626
  203   HD22  LEU  28          HD22      LEU  28   5.268   5.030  -1.472
  204   HD23  LEU  28          HD23      LEU  28   4.454   5.610  -2.926
  205    H    ARG  29           HN       ARG  29   3.311   5.012  -4.825
  206    HA   ARG  29           HA       ARG  29   0.961   3.389  -5.504
  207    HE   ARG  29           HE       ARG  29   1.454   3.571  -9.525
  208    HB2  ARG  29           HB2      ARG  29   3.659   3.337  -6.851
  209    HB3  ARG  29           HB3      ARG  29   2.123   2.754  -7.479
  210    HG2  ARG  29           HG2      ARG  29   2.553   5.646  -6.847
  211    HG3  ARG  29           HG3      ARG  29   3.047   4.955  -8.391
  212    HD2  ARG  29           HD2      ARG  29   0.268   4.706  -7.295
  213    HD3  ARG  29           HD3      ARG  29   0.771   6.037  -8.334
  214   HH11  ARG  29          HH12      ARG  29  -1.345   5.557  -8.844
  215   HH12  ARG  29          HH11      ARG  29  -2.224   5.036 -10.252
  216   HH21  ARG  29          HH22      ARG  29   0.329   2.891 -11.369
  217   HH22  ARG  29          HH21      ARG  29  -1.274   3.488 -11.680
  218    H    PHE  30           HN       PHE  30   0.906   1.250  -5.063
  219    HA   PHE  30           HA       PHE  30   3.180   0.143  -3.551
  220    HD1  PHE  30           HD1      PHE  30   2.626  -2.523  -2.546
  221    HD2  PHE  30           HD2      PHE  30   1.208   0.744  -0.216
  222    HE1  PHE  30           HE1      PHE  30   3.602  -3.536  -0.531
  223    HE2  PHE  30           HE2      PHE  30   2.188  -0.256   1.795
  224    HZ   PHE  30           HZ       PHE  30   3.392  -2.403   1.641
  225    HB2  PHE  30           HB2      PHE  30   0.805   0.754  -2.455
  226    HB3  PHE  30           HB3      PHE  30   0.414  -0.846  -3.070
  227    H    GLN  31           HN       GLN  31   3.913  -1.802  -4.237
  228    HA   GLN  31           HA       GLN  31   2.143  -3.427  -5.927
  229    HB2  GLN  31           HB2      GLN  31   3.831  -2.313  -7.352
  230    HB3  GLN  31           HB3      GLN  31   5.107  -3.027  -6.375
  231    HG2  GLN  31           HG2      GLN  31   4.786  -4.252  -8.449
  232    HG3  GLN  31           HG3      GLN  31   4.407  -5.253  -7.046
  233   HE21  GLN  31          HE21      GLN  31   2.301  -5.902  -6.692
  234   HE22  GLN  31          HE22      GLN  31   1.059  -5.729  -7.876
  235    H    ALA  32           HN       ALA  32   1.652  -5.062  -4.650
  236    HA   ALA  32           HA       ALA  32   3.833  -6.390  -3.171
  237    HB1  ALA  32           HB1      ALA  32   2.167  -5.262  -1.741
  238    HB2  ALA  32           HB2      ALA  32   0.919  -6.304  -2.421
  239    HB3  ALA  32           HB3      ALA  32   2.241  -7.007  -1.488
  240    HA   PRO  33           HA       PRO  33   2.819  -9.954  -5.736
  241    HB2  PRO  33           HB2      PRO  33   4.587 -11.222  -3.719
  242    HB3  PRO  33           HB3      PRO  33   4.686 -11.260  -5.483
  243    HG2  PRO  33           HG2      PRO  33   6.399  -9.802  -4.062
  244    HG3  PRO  33           HG3      PRO  33   5.749  -9.198  -5.599
  245    HD2  PRO  33           HD2      PRO  33   4.960  -8.491  -2.797
  246    HD3  PRO  33           HD3      PRO  33   5.164  -7.432  -4.209
  247    HA   PRO  34           HA       PRO  34  -0.353 -11.832  -3.409
  248    HB2  PRO  34           HB2      PRO  34  -0.186 -14.465  -4.167
  249    HB3  PRO  34           HB3      PRO  34  -0.901 -13.190  -5.160
  250    HG2  PRO  34           HG2      PRO  34   1.816 -14.416  -5.312
  251    HG3  PRO  34           HG3      PRO  34   0.736 -13.917  -6.625
  252    HD2  PRO  34           HD2      PRO  34   2.861 -12.439  -5.849
  253    HD3  PRO  34           HD3      PRO  34   1.373 -11.706  -6.475
  254    H    GLY  35           HN       GLY  35  -0.301 -12.101  -1.283
  255    HA2  GLY  35           HA1      GLY  35  -0.267 -13.622   0.535
  256    HA3  GLY  35           HA2      GLY  35   1.052 -14.480  -0.242
  257    H    VAL  36           HN       VAL  36   2.651 -12.071  -0.709
  258    HA   VAL  36           HA       VAL  36   4.146 -12.345   1.690
  259    HB   VAL  36           HB       VAL  36   5.708 -10.721   0.695
  260   HG11  VAL  36          HG11      VAL  36   6.329 -12.094  -1.227
  261   HG12  VAL  36          HG12      VAL  36   5.838 -13.093   0.144
  262   HG13  VAL  36          HG13      VAL  36   4.733 -12.847  -1.207
  263   HG21  VAL  36          HG21      VAL  36   5.306  -9.827  -1.522
  264   HG22  VAL  36          HG22      VAL  36   3.705 -10.567  -1.546
  265   HG23  VAL  36          HG23      VAL  36   4.066  -9.279  -0.394
  266    H    MET  37           HN       MET  37   1.625 -10.234   0.955
  267    HA   MET  37           HA       MET  37   2.645  -8.009   2.498
  268    HB2  MET  37           HB2      MET  37   1.291  -7.736   0.390
  269    HB3  MET  37           HB3      MET  37  -0.109  -8.289   1.301
  270    HG2  MET  37           HG2      MET  37   0.227  -5.771   1.033
  271    HG3  MET  37           HG3      MET  37  -0.141  -6.383   2.646
  272    HE1  MET  37           HE1      MET  37   3.326  -6.792   0.867
  273    HE2  MET  37           HE2      MET  37   2.837  -5.208   0.268
  274    HE3  MET  37           HE3      MET  37   4.189  -5.343   1.386
  275    H    THR  38           HN       THR  38   2.075 -10.648   3.761
  276    HA   THR  38           HA       THR  38  -0.214 -10.703   5.310
  277    HB   THR  38           HB       THR  38   1.146 -11.971   6.980
  278    HG1  THR  38           HG1      THR  38   3.345 -11.827   5.225
  279   HG21  THR  38          HG21      THR  38   0.133 -13.139   5.090
  280   HG22  THR  38          HG22      THR  38   1.694 -13.849   5.503
  281   HG23  THR  38          HG23      THR  38   1.551 -12.786   4.103
  282    HA   PRO  39           HA       PRO  39  -0.220  -7.222   7.949
  283    HB2  PRO  39           HB2      PRO  39  -0.867  -9.099  10.172
  284    HB3  PRO  39           HB3      PRO  39  -1.720  -7.645   9.640
  285    HG2  PRO  39           HG2      PRO  39  -2.680 -10.053   9.054
  286    HG3  PRO  39           HG3      PRO  39  -2.748  -8.737   7.866
  287    HD2  PRO  39           HD2      PRO  39  -0.904 -11.082   7.997
  288    HD3  PRO  39           HD3      PRO  39  -1.639 -10.301   6.582
  289    H    GLU  40           HN       GLU  40   1.578 -10.040   9.086
  290    HA   GLU  40           HA       GLU  40   3.078  -8.652  11.054
  291    HB2  GLU  40           HB2      GLU  40   2.900 -11.121  10.973
  292    HB3  GLU  40           HB3      GLU  40   3.846 -11.122   9.489
  293    HG2  GLU  40           HG2      GLU  40   5.736 -10.143  10.701
  294    HG3  GLU  40           HG3      GLU  40   4.790 -10.174  12.188
  295    H    LEU  41           HN       LEU  41   3.760  -9.523   7.662
  296    HA   LEU  41           HA       LEU  41   6.249  -8.190   7.506
  297    HG   LEU  41           HG       LEU  41   7.158  -7.872   5.376
  298    HB2  LEU  41           HB2      LEU  41   5.329  -9.888   5.873
  299    HB3  LEU  41           HB3      LEU  41   4.320  -8.588   5.245
  300   HD11  LEU  41          HD11      LEU  41   7.452 -10.232   4.875
  301   HD12  LEU  41          HD12      LEU  41   6.295 -10.110   3.550
  302   HD13  LEU  41          HD13      LEU  41   7.832  -9.245   3.464
  303   HD21  LEU  41          HD21      LEU  41   6.686  -7.060   3.133
  304   HD22  LEU  41          HD22      LEU  41   5.130  -7.893   3.141
  305   HD23  LEU  41          HD23      LEU  41   5.419  -6.555   4.252
  306    H    GLN  42           HN       GLN  42   2.950  -7.249   6.911
  307    HA   GLN  42           HA       GLN  42   3.293  -4.710   5.854
  308    HB2  GLN  42           HB2      GLN  42   1.136  -5.907   6.053
  309    HB3  GLN  42           HB3      GLN  42   1.178  -5.668   7.794
  310    HG2  GLN  42           HG2      GLN  42  -0.236  -4.004   7.064
  311    HG3  GLN  42           HG3      GLN  42   1.314  -3.188   7.240
  312   HE21  GLN  42          HE21      GLN  42   2.440  -2.539   5.418
  313   HE22  GLN  42          HE22      GLN  42   1.685  -2.425   3.871
  314    H    SER  43           HN       SER  43   3.252  -5.803   9.219
  315    HA   SER  43           HA       SER  43   3.670  -3.228  10.355
  316    HG   SER  43           HG       SER  43   4.275  -3.388  12.592
  317    HB2  SER  43           HB2      SER  43   2.670  -5.063  11.648
  318    HB3  SER  43           HB3      SER  43   4.169  -5.980  11.517
  319    H    ARG  44           HN       ARG  44   5.765  -5.751   9.137
  320    HA   ARG  44           HA       ARG  44   8.182  -4.785  10.255
  321    HE   ARG  44           HE       ARG  44   7.802  -6.273  12.136
  322    HB2  ARG  44           HB2      ARG  44   7.685  -6.468   7.796
  323    HB3  ARG  44           HB3      ARG  44   9.278  -6.144   8.462
  324    HG2  ARG  44           HG2      ARG  44   7.071  -7.494   9.996
  325    HG3  ARG  44           HG3      ARG  44   8.304  -8.357   9.075
  326    HD2  ARG  44           HD2      ARG  44   8.985  -8.306  11.373
  327    HD3  ARG  44           HD3      ARG  44  10.042  -7.235  10.457
  328   HH11  ARG  44          HH12      ARG  44  11.081  -5.995  10.933
  329   HH12  ARG  44          HH11      ARG  44  11.404  -4.508  11.775
  330   HH21  ARG  44          HH22      ARG  44   8.206  -4.335  13.235
  331   HH22  ARG  44          HH21      ARG  44   9.757  -3.562  13.097
  332    H    LEU  45           HN       LEU  45   6.516  -4.174   7.197
  333    HA   LEU  45           HA       LEU  45   8.363  -2.305   6.157
  334    HG   LEU  45           HG       LEU  45   6.684  -4.449   4.922
  335    HB2  LEU  45           HB2      LEU  45   5.360  -2.480   5.815
  336    HB3  LEU  45           HB3      LEU  45   6.405  -1.445   4.864
  337   HD11  LEU  45          HD11      LEU  45   5.197  -2.732   2.940
  338   HD12  LEU  45          HD12      LEU  45   5.521  -4.461   2.773
  339   HD13  LEU  45          HD13      LEU  45   4.476  -3.878   4.070
  340   HD21  LEU  45          HD21      LEU  45   8.667  -3.214   4.211
  341   HD22  LEU  45          HD22      LEU  45   7.941  -4.094   2.864
  342   HD23  LEU  45          HD23      LEU  45   7.702  -2.351   3.011
  343    H    GLY  46           HN       GLY  46   5.475  -1.938   8.177
  344    HA2  GLY  46           HA1      GLY  46   5.317  -0.632  10.088
  345    HA3  GLY  46           HA2      GLY  46   6.841   0.130   9.668
  346    H    GLY  47           HN       GLY  47   5.697   0.669   6.913
  347    HA2  GLY  47           HA1      GLY  47   4.553   2.366   5.856
  348    HA3  GLY  47           HA2      GLY  47   3.562   2.532   7.299
  349    H    ALA  48           HN       ALA  48   6.910   2.669   7.877
  350    HA   ALA  48           HA       ALA  48   6.705   5.452   8.629
  351    HB1  ALA  48           HB1      ALA  48   8.924   5.117   9.600
  352    HB2  ALA  48           HB2      ALA  48   7.802   3.861  10.125
  353    HB3  ALA  48           HB3      ALA  48   8.999   3.510   8.879
  354    H    ARG  49           HN       ARG  49   8.176   7.077   7.875
  355    HA   ARG  49           HA       ARG  49   8.273   6.978   5.036
  356    HE   ARG  49           HE       ARG  49   7.266  10.354   8.118
  357    HB2  ARG  49           HB2      ARG  49   9.211   9.262   5.197
  358    HB3  ARG  49           HB3      ARG  49   7.725   9.049   6.109
  359    HG2  ARG  49           HG2      ARG  49   9.075   8.788   8.165
  360    HG3  ARG  49           HG3      ARG  49  10.521   9.137   7.209
  361    HD2  ARG  49           HD2      ARG  49   9.847  11.178   8.233
  362    HD3  ARG  49           HD3      ARG  49   9.459  11.286   6.518
  363   HH11  ARG  49          HH12      ARG  49   8.911  13.192   6.878
  364   HH12  ARG  49          HH11      ARG  49   7.540  14.233   7.103
  365   HH21  ARG  49          HH22      ARG  49   5.475  11.709   8.402
  366   HH22  ARG  49          HH21      ARG  49   5.588  13.397   7.994
  367    H    HIS  50           HN       HIS  50  10.889   7.209   7.473
  368    HA   HIS  50           HA       HIS  50  13.037   7.083   5.698
  369    HD1  HIS  50           HD1      HIS  50  12.737   3.972   8.672
  370    HD2  HIS  50           HD2      HIS  50  12.033   7.820  10.110
  371    HE1  HIS  50           HE1      HIS  50  11.305   3.694  10.706
  372    HE2  HIS  50           HE2      HIS  50  10.837   6.023  11.536
  373    HB2  HIS  50           HB2      HIS  50  14.292   6.017   7.675
  374    HB3  HIS  50           HB3      HIS  50  13.606   7.618   7.922
  375    H    GLU  51           HN       GLU  51  11.032   4.556   7.025
  376    HA   GLU  51           HA       GLU  51  12.543   2.327   6.211
  377    HB2  GLU  51           HB2      GLU  51   9.995   2.812   7.396
  378    HB3  GLU  51           HB3      GLU  51   9.761   1.738   6.018
  379    HG2  GLU  51           HG2      GLU  51  10.132   0.380   7.910
  380    HG3  GLU  51           HG3      GLU  51  11.588   0.332   6.908
  381    H    LEU  52           HN       LEU  52   9.842   4.037   4.752
  382    HA   LEU  52           HA       LEU  52   9.795   2.382   2.474
  383    HG   LEU  52           HG       LEU  52   7.632   3.629   4.456
  384    HB2  LEU  52           HB2      LEU  52   8.627   5.147   2.827
  385    HB3  LEU  52           HB3      LEU  52   8.236   4.040   1.525
  386   HD11  LEU  52          HD11      LEU  52   6.207   5.290   3.390
  387   HD12  LEU  52          HD12      LEU  52   5.824   4.149   2.102
  388   HD13  LEU  52          HD13      LEU  52   5.303   3.820   3.756
  389   HD21  LEU  52          HD21      LEU  52   8.150   1.512   3.364
  390   HD22  LEU  52          HD22      LEU  52   6.429   1.628   3.733
  391   HD23  LEU  52          HD23      LEU  52   6.995   1.880   2.081
  392    H    ILE  53           HN       ILE  53  11.563   5.257   3.295
  393    HA   ILE  53           HA       ILE  53  12.362   6.094   0.748
  394    HB   ILE  53           HB       ILE  53  13.840   6.218   3.382
  395   HG12  ILE  53          HG12      ILE  53  12.388   8.347   1.793
  396   HG13  ILE  53          HG13      ILE  53  11.739   7.520   3.205
  397   HG21  ILE  53          HG21      ILE  53  15.345   7.837   2.346
  398   HG22  ILE  53          HG22      ILE  53  15.454   6.266   1.551
  399   HG23  ILE  53          HG23      ILE  53  14.557   7.580   0.789
  400   HD11  ILE  53          HD11      ILE  53  14.173   9.288   3.171
  401   HD12  ILE  53          HD12      ILE  53  12.576   9.730   3.773
  402   HD13  ILE  53          HD13      ILE  53  13.508   8.471   4.585
  403    H    ALA  54           HN       ALA  54  13.859   3.734   2.960
  404    HA   ALA  54           HA       ALA  54  15.950   2.995   1.184
  405    HB1  ALA  54           HB1      ALA  54  16.269   1.077   2.666
  406    HB2  ALA  54           HB2      ALA  54  16.059   2.563   3.592
  407    HB3  ALA  54           HB3      ALA  54  14.726   1.418   3.448
  408    H    LEU  55           HN       LEU  55  12.639   2.068   1.527
  409    HA   LEU  55           HA       LEU  55  12.807  -0.463   0.200
  410    HG   LEU  55           HG       LEU  55   9.177  -0.843   1.041
  411    HB2  LEU  55           HB2      LEU  55  11.059   0.355   1.887
  412    HB3  LEU  55           HB3      LEU  55  10.361   1.268   0.570
  413   HD11  LEU  55          HD11      LEU  55   9.010  -1.619  -1.249
  414   HD12  LEU  55          HD12      LEU  55   9.075   0.144  -1.187
  415   HD13  LEU  55          HD13      LEU  55  10.504  -0.777  -1.658
  416   HD21  LEU  55          HD21      LEU  55  11.038  -2.200   1.766
  417   HD22  LEU  55          HD22      LEU  55  10.233  -2.971   0.400
  418   HD23  LEU  55          HD23      LEU  55  11.760  -2.121   0.159
  419    H    LEU  56           HN       LEU  56  11.925   2.793  -0.588
  420    HA   LEU  56           HA       LEU  56  11.083   2.572  -3.228
  421    HG   LEU  56           HG       LEU  56  11.058   6.255  -2.828
  422    HB2  LEU  56           HB2      LEU  56  11.236   4.309  -1.242
  423    HB3  LEU  56           HB3      LEU  56  12.623   4.852  -2.155
  424   HD11  LEU  56          HD11      LEU  56  11.895   5.223  -4.838
  425   HD12  LEU  56          HD12      LEU  56  10.632   3.995  -4.755
  426   HD13  LEU  56          HD13      LEU  56  10.206   5.680  -5.058
  427   HD21  LEU  56          HD21      LEU  56   8.967   4.119  -2.737
  428   HD22  LEU  56          HD22      LEU  56   9.285   5.317  -1.484
  429   HD23  LEU  56          HD23      LEU  56   8.692   5.831  -3.062
  430    H    ARG  57           HN       ARG  57  14.199   3.159  -1.713
  431    HA   ARG  57           HA       ARG  57  15.685   3.732  -4.018
  432    HE   ARG  57           HE       ARG  57  18.253   5.703  -1.923
  433    HB2  ARG  57           HB2      ARG  57  16.470   4.366  -1.830
  434    HB3  ARG  57           HB3      ARG  57  16.530   2.685  -1.316
  435    HG2  ARG  57           HG2      ARG  57  18.332   2.231  -2.821
  436    HG3  ARG  57           HG3      ARG  57  18.209   3.843  -3.523
  437    HD2  ARG  57           HD2      ARG  57  18.914   3.241  -0.654
  438    HD3  ARG  57           HD3      ARG  57  20.074   3.646  -1.919
  439   HH11  ARG  57          HH12      ARG  57  20.422   4.271   0.439
  440   HH12  ARG  57          HH11      ARG  57  20.655   5.763   1.309
  441   HH21  ARG  57          HH22      ARG  57  18.557   7.654  -0.780
  442   HH22  ARG  57          HH21      ARG  57  19.593   7.680   0.619
  443    H    GLN  58           HN       GLN  58  14.761   0.694  -2.549
  444    HA   GLN  58           HA       GLN  58  16.752  -0.916  -3.726
  445    HB2  GLN  58           HB2      GLN  58  15.587  -2.731  -2.937
  446    HB3  GLN  58           HB3      GLN  58  14.929  -1.464  -1.912
  447    HG2  GLN  58           HG2      GLN  58  13.028  -1.275  -3.524
  448    HG3  GLN  58           HG3      GLN  58  13.658  -2.713  -4.327
  449   HE21  GLN  58          HE21      GLN  58  11.129  -2.311  -3.038
  450   HE22  GLN  58          HE22      GLN  58  11.017  -3.497  -1.787
  451    H    LEU  59           HN       LEU  59  13.744   0.371  -5.008
  452    HA   LEU  59           HA       LEU  59  14.199  -1.149  -7.485
  453    HG   LEU  59           HG       LEU  59  11.832   1.472  -6.434
  454    HB2  LEU  59           HB2      LEU  59  11.889  -0.657  -8.091
  455    HB3  LEU  59           HB3      LEU  59  11.979  -1.489  -6.554
  456   HD11  LEU  59          HD11      LEU  59  10.234   0.940  -8.225
  457   HD12  LEU  59          HD12      LEU  59   9.452  -0.237  -7.168
  458   HD13  LEU  59          HD13      LEU  59   9.421   1.477  -6.754
  459   HD21  LEU  59          HD21      LEU  59  10.476  -0.767  -4.932
  460   HD22  LEU  59          HD22      LEU  59  11.917   0.105  -4.414
  461   HD23  LEU  59          HD23      LEU  59  10.375   0.949  -4.538
  462    H    GLN  60           HN       GLN  60  15.496   1.397  -6.486
  463    HA   GLN  60           HA       GLN  60  14.651   3.446  -8.289
  464    HB2  GLN  60           HB2      GLN  60  15.896   3.790  -6.112
  465    HB3  GLN  60           HB3      GLN  60  17.336   3.199  -6.927
  466    HG2  GLN  60           HG2      GLN  60  17.191   5.032  -8.526
  467    HG3  GLN  60           HG3      GLN  60  15.735   5.616  -7.717
  468   HE21  GLN  60          HE21      GLN  60  16.687   7.596  -7.260
  469   HE22  GLN  60          HE22      GLN  60  17.897   7.776  -6.036
  470    HA   PRO  61           HA       PRO  61  16.251   1.483 -11.896
  471    HB2  PRO  61           HB2      PRO  61  16.216   3.681 -13.545
  472    HB3  PRO  61           HB3      PRO  61  14.804   2.695 -13.156
  473    HG2  PRO  61           HG2      PRO  61  15.682   5.297 -11.976
  474    HG3  PRO  61           HG3      PRO  61  14.049   4.760 -12.415
  475    HD2  PRO  61           HD2      PRO  61  14.901   4.756  -9.868
  476    HD3  PRO  61           HD3      PRO  61  13.813   3.494 -10.486
  477    H    SER  62           HN       SER  62  18.070   1.316 -13.156
  478    HA   SER  62           HA       SER  62  20.402   2.786 -12.202
  479    HG   SER  62           HG       SER  62  19.608   0.347 -14.701
  480    HB2  SER  62           HB2      SER  62  21.592   0.949 -13.568
  481    HB3  SER  62           HB3      SER  62  20.754   0.455 -12.096
  482    H    SER  63           HN       SER  63  22.059   3.372 -13.842
  483    HA   SER  63           HA       SER  63  20.769   4.475 -16.242
  484    HG   SER  63           HG       SER  63  20.842   6.222 -14.687
  485    HB2  SER  63           HB2      SER  63  23.447   5.173 -15.003
  486    HB3  SER  63           HB3      SER  63  22.655   6.025 -16.332
  487    H    GLN  64           HN       GLN  64  21.526   4.040 -18.281
  488    HA   GLN  64           HA       GLN  64  23.656   2.014 -18.489
  489    HB2  GLN  64           HB2      GLN  64  22.500   1.023 -20.383
  490    HB3  GLN  64           HB3      GLN  64  21.459   1.022 -18.970
  491    HG2  GLN  64           HG2      GLN  64  21.303   2.947 -21.281
  492    HG3  GLN  64           HG3      GLN  64  20.239   1.569 -21.010
  493   HE21  GLN  64          HE21      GLN  64  18.814   1.632 -19.214
  494   HE22  GLN  64          HE22      GLN  64  18.308   3.150 -18.539
  495    H    GLY  65           HN       GLY  65  22.478   5.052 -19.517
  496    HA2  GLY  65           HA1      GLY  65  23.686   6.645 -20.737
  497    HA3  GLY  65           HA2      GLY  65  24.786   5.375 -21.256
  498    H    GLY  66           HN       GLY  66  23.862   3.757 -22.815
  499    HA2  GLY  66           HA1      GLY  66  21.493   4.187 -24.235
  500    HA3  GLY  66           HA2      GLY  66  22.760   5.084 -25.048
  501    H    SER  67           HN       SER  67  24.915   3.512 -24.940
  502    HA   SER  67           HA       SER  67  25.966   1.748 -25.880
  503    HG   SER  67           HG       SER  67  24.541   1.153 -23.496
  504    HB2  SER  67           HB2      SER  67  23.385   0.267 -25.335
  505    HB3  SER  67           HB3      SER  67  24.919  -0.482 -25.788
  506    H    LEU  68           HN       LEU  68  26.323   2.417 -27.901
  507    HA   LEU  68           HA       LEU  68  24.359   1.589 -29.940
  508    HG   LEU  68           HG       LEU  68  25.702   3.041 -32.294
  509    HB2  LEU  68           HB2      LEU  68  24.483   4.050 -29.723
  510    HB3  LEU  68           HB3      LEU  68  26.205   3.982 -30.038
  511   HD11  LEU  68          HD11      LEU  68  23.433   3.264 -33.171
  512   HD12  LEU  68          HD12      LEU  68  23.512   2.105 -31.843
  513   HD13  LEU  68          HD13      LEU  68  22.859   3.720 -31.567
  514   HD21  LEU  68          HD21      LEU  68  26.185   5.402 -32.007
  515   HD22  LEU  68          HD22      LEU  68  24.968   5.169 -33.261
  516   HD23  LEU  68          HD23      LEU  68  24.488   5.725 -31.658
  517    H    LEU  69           HN       LEU  69  25.263   0.826 -31.925
  518    HA   LEU  69           HA       LEU  69  28.103   0.089 -31.770
  519    HG   LEU  69           HG       LEU  69  25.767  -1.575 -34.089
  520    HB2  LEU  69           HB2      LEU  69  27.707  -2.120 -32.501
  521    HB3  LEU  69           HB3      LEU  69  26.571  -1.845 -31.198
  522   HD11  LEU  69          HD11      LEU  69  25.691  -4.042 -32.360
  523   HD12  LEU  69          HD12      LEU  69  24.903  -3.868 -33.929
  524   HD13  LEU  69          HD13      LEU  69  26.661  -3.804 -33.813
  525   HD21  LEU  69          HD21      LEU  69  24.228  -2.039 -31.536
  526   HD22  LEU  69          HD22      LEU  69  24.218  -0.584 -32.529
  527   HD23  LEU  69          HD23      LEU  69  23.528  -2.081 -33.154
  528    H    ALA  70           HN       ALA  70  29.186  -0.031 -33.758
  529    HA   ALA  70           HA       ALA  70  27.746   1.235 -35.991
  530    HB1  ALA  70           HB1      ALA  70  29.585   2.590 -35.115
  531    HB2  ALA  70           HB2      ALA  70  30.704   1.257 -35.388
  532    HB3  ALA  70           HB3      ALA  70  29.928   2.046 -36.758
  533    HA   PRO  71           HA       PRO  71  28.550  -2.766 -37.866
  534    HB2  PRO  71           HB2      PRO  71  26.616  -2.645 -39.706
  535    HB3  PRO  71           HB3      PRO  71  26.253  -2.925 -38.000
  536    HG2  PRO  71           HG2      PRO  71  25.924  -0.456 -39.625
  537    HG3  PRO  71           HG3      PRO  71  24.945  -1.053 -38.273
  538    HD2  PRO  71           HD2      PRO  71  26.940   0.928 -38.150
  539    HD3  PRO  71           HD3      PRO  71  26.188   0.108 -36.772
  540    H    VAL  72           HN       VAL  72  30.276  -0.639 -38.534
  541    HA   VAL  72           HA       VAL  72  30.248  -0.130 -41.345
  542    HB   VAL  72           HB       VAL  72  31.344   1.338 -39.621
  543   HG11  VAL  72          HG11      VAL  72  33.641   0.786 -38.929
  544   HG12  VAL  72          HG12      VAL  72  32.441  -0.332 -38.277
  545   HG13  VAL  72          HG13      VAL  72  33.449  -0.816 -39.642
  546   HG21  VAL  72          HG21      VAL  72  33.277   1.925 -41.038
  547   HG22  VAL  72          HG22      VAL  72  33.040   0.431 -41.944
  548   HG23  VAL  72          HG23      VAL  72  31.795   1.683 -41.966
  549    H    ALA  73           HN       ALA  73  30.732  -2.885 -39.680
  550    HA   ALA  73           HA       ALA  73  32.956  -4.124 -40.778
  551    HB1  ALA  73           HB1      ALA  73  31.708  -5.052 -38.909
  552    HB2  ALA  73           HB2      ALA  73  30.344  -5.384 -39.977
  553    HB3  ALA  73           HB3      ALA  73  31.873  -6.232 -40.208
  554    H    ARG  74           HN       ARG  74  29.876  -3.424 -42.200
  555    HA   ARG  74           HA       ARG  74  30.615  -5.021 -44.557
  556    HE   ARG  74           HE       ARG  74  28.411  -7.315 -45.491
  557    HB2  ARG  74           HB2      ARG  74  27.923  -3.777 -43.941
  558    HB3  ARG  74           HB3      ARG  74  28.297  -4.873 -45.263
  559    HG2  ARG  74           HG2      ARG  74  28.163  -5.494 -42.328
  560    HG3  ARG  74           HG3      ARG  74  27.156  -6.132 -43.630
  561    HD2  ARG  74           HD2      ARG  74  30.099  -6.660 -43.211
  562    HD3  ARG  74           HD3      ARG  74  28.781  -7.791 -42.916
  563   HH11  ARG  74          HH12      ARG  74  31.397  -7.825 -43.764
  564   HH12  ARG  74          HH11      ARG  74  32.209  -8.594 -45.093
  565   HH21  ARG  74          HH22      ARG  74  29.455  -8.324 -47.276
  566   HH22  ARG  74          HH21      ARG  74  31.102  -8.872 -47.101
  567    H    ASN  75           HN       ASN  75  31.984  -3.700 -45.654
  568    HA   ASN  75           HA       ASN  75  31.003  -0.996 -46.282
  569    HB2  ASN  75           HB2      ASN  75  33.388  -0.354 -46.609
  570    HB3  ASN  75           HB3      ASN  75  33.003  -0.820 -44.957
  571   HD21  ASN  75          HD21      ASN  75  35.135  -1.263 -44.477
  572   HD22  ASN  75          HD22      ASN  75  35.958  -2.658 -45.089
  573    H    GLY  76           HN       GLY  76  31.821  -0.112 -48.356
  574    HA2  GLY  76           HA1      GLY  76  32.188  -2.207 -50.393
  575    HA3  GLY  76           HA2      GLY  76  30.954  -0.971 -50.605
  576    H    ARG  77           HN       ARG  77  32.103  -0.468 -52.589
  577    HA   ARG  77           HA       ARG  77  34.307   1.405 -52.064
  578    HE   ARG  77           HE       ARG  77  35.203  -0.493 -56.322
  579    HB2  ARG  77           HB2      ARG  77  35.218  -0.749 -52.943
  580    HB3  ARG  77           HB3      ARG  77  34.238  -0.531 -54.386
  581    HG2  ARG  77           HG2      ARG  77  35.454   1.544 -54.880
  582    HG3  ARG  77           HG3      ARG  77  36.450   1.282 -53.447
  583    HD2  ARG  77           HD2      ARG  77  37.615   0.541 -55.444
  584    HD3  ARG  77           HD3      ARG  77  37.253  -0.828 -54.393
  585   HH11  ARG  77          HH12      ARG  77  38.536  -1.545 -56.040
  586   HH12  ARG  77          HH11      ARG  77  38.413  -2.697 -57.339
  587   HH21  ARG  77          HH22      ARG  77  35.047  -1.996 -58.038
  588   HH22  ARG  77          HH21      ARG  77  36.451  -2.908 -58.513
  589    H    LEU  78           HN       LEU  78  34.385   3.184 -53.471
  590    HA   LEU  78           HA       LEU  78  31.867   3.820 -54.735
  591    HG   LEU  78           HG       LEU  78  31.820   5.571 -52.941
  592    HB2  LEU  78           HB2      LEU  78  34.414   5.426 -54.463
  593    HB3  LEU  78           HB3      LEU  78  32.941   6.027 -55.193
  594   HD11  LEU  78          HD11      LEU  78  34.695   5.479 -52.045
  595   HD12  LEU  78          HD12      LEU  78  33.284   5.585 -50.993
  596   HD13  LEU  78          HD13      LEU  78  33.543   4.146 -51.977
  597   HD21  LEU  78          HD21      LEU  78  33.954   7.681 -53.184
  598   HD22  LEU  78          HD22      LEU  78  32.279   7.802 -53.724
  599   HD23  LEU  78          HD23      LEU  78  32.644   7.689 -52.003
  600    H1   GLY   1           H1       GLY   1 -32.959  -2.736  -7.277
  601    H2   GLY   1           H2       GLY   1 -32.456  -4.124  -6.443
  602    H3   GLY   1           H3       GLY   1 -33.852  -4.176  -7.406
  603    HA2  GLY   1           HA2      GLY   1 -32.027  -5.259  -8.531
  604    HA3  GLY   1           HA1      GLY   1 -32.539  -3.812  -9.388
  605    HA   PRO   2           HA       PRO   2 -28.125  -3.222  -7.580
  606    HB2  PRO   2           HB2      PRO   2 -26.553  -5.369  -7.950
  607    HB3  PRO   2           HB3      PRO   2 -27.558  -5.189  -6.507
  608    HG2  PRO   2           HG2      PRO   2 -28.019  -6.844  -8.947
  609    HG3  PRO   2           HG3      PRO   2 -28.344  -7.236  -7.250
  610    HD2  PRO   2           HD2      PRO   2 -30.247  -6.378  -9.060
  611    HD3  PRO   2           HD3      PRO   2 -30.394  -6.231  -7.297
  612    H    LEU   3           HN       LEU   3 -26.466  -2.402  -8.825
  613    HA   LEU   3           HA       LEU   3 -26.621  -2.989 -11.704
  614    HG   LEU   3           HG       LEU   3 -27.243  -0.850 -12.813
  615    HB2  LEU   3           HB2      LEU   3 -26.720  -0.578 -10.424
  616    HB3  LEU   3           HB3      LEU   3 -25.009  -0.695 -10.789
  617   HD11  LEU   3          HD11      LEU   3 -25.267   1.346 -12.231
  618   HD12  LEU   3          HD12      LEU   3 -26.441   1.330 -13.547
  619   HD13  LEU   3          HD13      LEU   3 -26.994   1.378 -11.873
  620   HD21  LEU   3          HD21      LEU   3 -25.317  -2.177 -13.488
  621   HD22  LEU   3          HD22      LEU   3 -25.455  -0.724 -14.479
  622   HD23  LEU   3          HD23      LEU   3 -24.251  -0.802 -13.193
  623    H    GLY   4           HN       GLY   4 -24.346  -2.431  -9.036
  624    HA2  GLY   4           HA1      GLY   4 -22.291  -3.357  -8.599
  625    HA3  GLY   4           HA2      GLY   4 -22.639  -4.552  -9.837
  626    H    SER   5           HN       SER   5 -22.786  -1.277 -10.823
  627    HA   SER   5           HA       SER   5 -20.771  -1.681 -12.768
  628    HG   SER   5           HG       SER   5 -21.852   1.272 -11.033
  629    HB2  SER   5           HB2      SER   5 -21.153   0.803 -13.191
  630    HB3  SER   5           HB3      SER   5 -22.573  -0.237 -13.330
  631    H    SER   6           HN       SER   6 -18.714  -1.776 -12.349
  632    HA   SER   6           HA       SER   6 -16.657  -1.427 -11.492
  633    HG   SER   6           HG       SER   6 -17.760   2.138 -12.897
  634    HB2  SER   6           HB2      SER   6 -15.914   0.983 -11.610
  635    HB3  SER   6           HB3      SER   6 -16.646   0.337 -13.075
  636    H    ALA   7           HN       ALA   7 -17.788   1.541 -10.011
  637    HA   ALA   7           HA       ALA   7 -16.303   1.198  -7.684
  638    HB1  ALA   7           HB1      ALA   7 -18.756   2.905  -8.089
  639    HB2  ALA   7           HB2      ALA   7 -17.588   3.074  -6.778
  640    HB3  ALA   7           HB3      ALA   7 -17.092   3.368  -8.445
  641    H    GLY   8           HN       GLY   8 -19.676   0.373  -8.343
  642    HA2  GLY   8           HA1      GLY   8 -20.446  -0.133  -5.681
  643    HA3  GLY   8           HA2      GLY   8 -21.225  -0.797  -7.109
  644    H    ALA   9           HN       ALA   9 -19.241  -2.359  -8.175
  645    HA   ALA   9           HA       ALA   9 -19.352  -4.640  -6.464
  646    HB1  ALA   9           HB1      ALA   9 -18.177  -5.803  -8.246
  647    HB2  ALA   9           HB2      ALA   9 -19.484  -4.821  -8.911
  648    HB3  ALA   9           HB3      ALA   9 -17.815  -4.266  -9.032
  649    H    LEU  10           HN       LEU  10 -16.794  -2.444  -7.532
  650    HA   LEU  10           HA       LEU  10 -14.611  -3.770  -6.394
  651    HG   LEU  10           HG       LEU  10 -13.104  -1.164  -5.373
  652    HB2  LEU  10           HB2      LEU  10 -14.347  -1.967  -8.005
  653    HB3  LEU  10           HB3      LEU  10 -15.044  -0.820  -6.877
  654   HD11  LEU  10          HD11      LEU  10 -12.015  -2.806  -7.655
  655   HD12  LEU  10          HD12      LEU  10 -11.121  -2.309  -6.219
  656   HD13  LEU  10          HD13      LEU  10 -12.485  -3.417  -6.068
  657   HD21  LEU  10          HD21      LEU  10 -12.345  -0.364  -8.178
  658   HD22  LEU  10          HD22      LEU  10 -13.181   0.670  -7.018
  659   HD23  LEU  10          HD23      LEU  10 -11.537   0.121  -6.688
  660    H    LEU  11           HN       LEU  11 -16.676  -1.212  -5.066
  661    HA   LEU  11           HA       LEU  11 -15.357  -0.931  -2.607
  662    HG   LEU  11           HG       LEU  11 -17.977   1.517  -1.677
  663    HB2  LEU  11           HB2      LEU  11 -17.078   0.609  -3.623
  664    HB3  LEU  11           HB3      LEU  11 -18.306  -0.540  -3.146
  665   HD11  LEU  11          HD11      LEU  11 -19.296  -0.384  -0.956
  666   HD12  LEU  11          HD12      LEU  11 -17.838  -1.212  -0.412
  667   HD13  LEU  11          HD13      LEU  11 -18.364   0.267   0.393
  668   HD21  LEU  11          HD21      LEU  11 -15.568  -0.055  -0.786
  669   HD22  LEU  11          HD22      LEU  11 -15.541   1.488  -1.639
  670   HD23  LEU  11          HD23      LEU  11 -16.206   1.393  -0.007
  671    H    ALA  12           HN       ALA  12 -18.059  -2.997  -3.589
  672    HA   ALA  12           HA       ALA  12 -18.714  -4.010  -1.077
  673    HB1  ALA  12           HB1      ALA  12 -20.122  -4.240  -3.075
  674    HB2  ALA  12           HB2      ALA  12 -18.981  -5.421  -3.722
  675    HB3  ALA  12           HB3      ALA  12 -19.873  -5.777  -2.243
  676    H    HIS  13           HN       HIS  13 -16.548  -5.470  -3.541
  677    HA   HIS  13           HA       HIS  13 -15.988  -7.654  -1.762
  678    HD1  HIS  13           HD1      HIS  13 -12.370  -8.015  -4.090
  679    HD2  HIS  13           HD2      HIS  13 -15.215  -5.499  -5.779
  680    HE1  HIS  13           HE1      HIS  13 -11.116  -6.579  -5.733
  681    HE2  HIS  13           HE2      HIS  13 -12.914  -5.281  -6.931
  682    HB2  HIS  13           HB2      HIS  13 -14.714  -8.636  -3.476
  683    HB3  HIS  13           HB3      HIS  13 -16.029  -7.820  -4.303
  684    H    ALA  14           HN       ALA  14 -14.453  -4.596  -2.470
  685    HA   ALA  14           HA       ALA  14 -11.925  -5.241  -1.327
  686    HB1  ALA  14           HB1      ALA  14 -11.533  -2.832  -1.281
  687    HB2  ALA  14           HB2      ALA  14 -12.196  -3.340  -2.835
  688    HB3  ALA  14           HB3      ALA  14 -13.233  -2.541  -1.652
  689    H    ALA  15           HN       ALA  15 -14.835  -3.651  -0.073
  690    HA   ALA  15           HA       ALA  15 -13.909  -3.182   2.530
  691    HB1  ALA  15           HB1      ALA  15 -15.938  -2.156   1.605
  692    HB2  ALA  15           HB2      ALA  15 -16.744  -3.726   1.647
  693    HB3  ALA  15           HB3      ALA  15 -16.247  -2.946   3.150
  694    H    SER  16           HN       SER  16 -15.493  -5.978   1.096
  695    HA   SER  16           HA       SER  16 -15.934  -7.433   3.451
  696    HG   SER  16           HG       SER  16 -17.237  -7.094   0.687
  697    HB2  SER  16           HB2      SER  16 -15.455  -8.444   0.636
  698    HB3  SER  16           HB3      SER  16 -16.144  -9.390   1.957
  699    H    LEU  17           HN       LEU  17 -13.133  -7.281   1.290
  700    HA   LEU  17           HA       LEU  17 -11.707  -9.298   2.771
  701    HG   LEU  17           HG       LEU  17 -12.316  -8.881  -0.301
  702    HB2  LEU  17           HB2      LEU  17 -10.718  -7.319   0.717
  703    HB3  LEU  17           HB3      LEU  17  -9.796  -8.669   1.354
  704   HD11  LEU  17          HD11      LEU  17 -10.392  -8.119  -1.586
  705   HD12  LEU  17          HD12      LEU  17  -9.440  -9.478  -0.984
  706   HD13  LEU  17          HD13      LEU  17 -10.835  -9.769  -2.023
  707   HD21  LEU  17          HD21      LEU  17 -10.483 -11.022   0.783
  708   HD22  LEU  17          HD22      LEU  17 -12.143 -10.710   1.292
  709   HD23  LEU  17          HD23      LEU  17 -11.814 -11.282  -0.344
  710    H    GLY  18           HN       GLY  18 -12.045  -5.855   2.858
  711    HA2  GLY  18           HA1      GLY  18 -11.493  -4.462   4.636
  712    HA3  GLY  18           HA2      GLY  18 -10.559  -5.771   5.344
  713    H    VAL  19           HN       VAL  19 -10.160  -4.685   2.035
  714    HA   VAL  19           HA       VAL  19  -7.388  -4.050   2.481
  715    HB   VAL  19           HB       VAL  19  -9.110  -3.528   0.042
  716   HG11  VAL  19          HG11      VAL  19  -7.137  -2.095   0.104
  717   HG12  VAL  19          HG12      VAL  19  -6.109  -3.507   0.350
  718   HG13  VAL  19          HG13      VAL  19  -6.991  -3.312  -1.164
  719   HG21  VAL  19          HG21      VAL  19  -8.004  -5.528  -0.889
  720   HG22  VAL  19          HG22      VAL  19  -7.236  -5.806   0.673
  721   HG23  VAL  19          HG23      VAL  19  -8.993  -5.898   0.525
  722    H    ARG  20           HN       ARG  20  -6.898  -2.243   3.593
  723    HA   ARG  20           HA       ARG  20  -8.710   0.057   3.290
  724    HE   ARG  20           HE       ARG  20 -10.367  -2.742   7.480
  725    HB2  ARG  20           HB2      ARG  20  -6.997  -0.702   5.659
  726    HB3  ARG  20           HB3      ARG  20  -8.032   0.714   5.560
  727    HG2  ARG  20           HG2      ARG  20  -9.986  -0.748   5.321
  728    HG3  ARG  20           HG3      ARG  20  -8.932  -2.155   5.488
  729    HD2  ARG  20           HD2      ARG  20  -8.263  -1.377   7.713
  730    HD3  ARG  20           HD3      ARG  20  -9.328   0.019   7.540
  731   HH11  ARG  20          HH12      ARG  20 -10.362   0.493   8.864
  732   HH12  ARG  20          HH11      ARG  20 -11.864   0.253   9.717
  733   HH21  ARG  20          HH22      ARG  20 -12.294  -3.053   8.625
  734   HH22  ARG  20          HH21      ARG  20 -12.935  -1.777   9.617
  735    H    LEU  21           HN       LEU  21  -7.950   1.936   2.647
  736    HA   LEU  21           HA       LEU  21  -5.091   2.510   2.953
  737    HG   LEU  21           HG       LEU  21  -4.327   1.512   0.916
  738    HB2  LEU  21           HB2      LEU  21  -6.828   3.105   0.560
  739    HB3  LEU  21           HB3      LEU  21  -5.321   3.942   0.864
  740   HD11  LEU  21          HD11      LEU  21  -5.453   0.019  -0.660
  741   HD12  LEU  21          HD12      LEU  21  -6.439   0.333   0.767
  742   HD13  LEU  21          HD13      LEU  21  -6.808   1.146  -0.753
  743   HD21  LEU  21          HD21      LEU  21  -3.868   1.704  -1.475
  744   HD22  LEU  21          HD22      LEU  21  -5.139   2.919  -1.619
  745   HD23  LEU  21          HD23      LEU  21  -3.704   3.255  -0.651
  746    H    TRP  22           HN       TRP  22  -4.642   4.537   3.725
  747    HA   TRP  22           HA       TRP  22  -6.595   6.642   3.596
  748    HD1  TRP  22           HD1      TRP  22  -5.015   7.235   7.758
  749    HE1  TRP  22           HE1      TRP  22  -3.685   5.589   9.225
  750    HE3  TRP  22           HE3      TRP  22  -6.359   2.864   5.468
  751    HZ2  TRP  22           HZ2      TRP  22  -3.266   2.802   9.376
  752    HZ3  TRP  22           HZ3      TRP  22  -5.445   0.752   6.336
  753    HH2  TRP  22           HH2      TRP  22  -3.930   0.723   8.252
  754    HB2  TRP  22           HB2      TRP  22  -6.880   6.985   5.986
  755    HB3  TRP  22           HB3      TRP  22  -7.409   5.363   5.565
  756    H    VAL  23           HN       VAL  23  -5.632   8.650   3.808
  757    HA   VAL  23           HA       VAL  23  -2.738   8.616   3.950
  758    HB   VAL  23           HB       VAL  23  -3.649   9.968   2.190
  759   HG11  VAL  23          HG11      VAL  23  -5.847  10.437   3.113
  760   HG12  VAL  23          HG12      VAL  23  -5.129  11.508   4.318
  761   HG13  VAL  23          HG13      VAL  23  -5.054  11.929   2.607
  762   HG21  VAL  23          HG21      VAL  23  -2.606  12.131   2.667
  763   HG22  VAL  23          HG22      VAL  23  -2.563  11.731   4.385
  764   HG23  VAL  23          HG23      VAL  23  -1.610  10.791   3.235
  765    H    GLU  24           HN       GLU  24  -1.701   8.833   5.792
  766    HA   GLU  24           HA       GLU  24  -3.122  10.096   8.042
  767    HB2  GLU  24           HB2      GLU  24  -2.553   7.594   8.100
  768    HB3  GLU  24           HB3      GLU  24  -0.879   8.095   8.266
  769    HG2  GLU  24           HG2      GLU  24  -1.395   9.236  10.339
  770    HG3  GLU  24           HG3      GLU  24  -3.102   8.825  10.159
  771    H    GLY  25           HN       GLY  25  -2.404  12.127   8.125
  772    HA2  GLY  25           HA1      GLY  25  -0.947  13.837   8.620
  773    HA3  GLY  25           HA2      GLY  25   0.302  12.629   8.903
  774    H    GLU  26           HN       GLU  26   1.604  11.952   7.182
  775    HA   GLU  26           HA       GLU  26   1.611  13.824   4.905
  776    HB2  GLU  26           HB2      GLU  26   3.493  14.167   6.436
  777    HB3  GLU  26           HB3      GLU  26   3.932  12.470   6.297
  778    HG2  GLU  26           HG2      GLU  26   5.418  13.743   4.947
  779    HG3  GLU  26           HG3      GLU  26   4.347  12.838   3.878
  780    H    ARG  27           HN       ARG  27   1.706  10.488   5.915
  781    HA   ARG  27           HA       ARG  27   2.467   9.725   3.172
  782    HE   ARG  27           HE       ARG  27   6.257   8.489   2.988
  783    HB2  ARG  27           HB2      ARG  27   4.125   9.229   5.012
  784    HB3  ARG  27           HB3      ARG  27   2.955   8.088   5.659
  785    HG2  ARG  27           HG2      ARG  27   4.718   7.038   4.294
  786    HG3  ARG  27           HG3      ARG  27   3.088   6.738   3.681
  787    HD2  ARG  27           HD2      ARG  27   4.452   7.241   1.800
  788    HD3  ARG  27           HD3      ARG  27   3.449   8.658   2.097
  789   HH11  ARG  27          HH12      ARG  27   3.635  10.237   1.465
  790   HH12  ARG  27          HH11      ARG  27   4.574  11.668   1.181
  791   HH21  ARG  27          HH22      ARG  27   7.506  10.352   2.602
  792   HH22  ARG  27          HH21      ARG  27   6.784  11.726   1.814
  793    H    LEU  28           HN       LEU  28   1.284   8.286   2.084
  794    HA   LEU  28           HA       LEU  28  -1.345   7.625   2.914
  795    HG   LEU  28           HG       LEU  28  -1.921   6.427  -0.581
  796    HB2  LEU  28           HB2      LEU  28  -0.525   7.951   0.540
  797    HB3  LEU  28           HB3      LEU  28   0.279   6.403   0.669
  798   HD11  LEU  28          HD11      LEU  28  -2.711   4.320   0.363
  799   HD12  LEU  28          HD12      LEU  28  -0.953   4.349   0.216
  800   HD13  LEU  28          HD13      LEU  28  -1.709   4.585   1.791
  801   HD21  LEU  28          HD21      LEU  28  -3.118   7.942   0.910
  802   HD22  LEU  28          HD22      LEU  28  -3.969   6.409   0.727
  803   HD23  LEU  28          HD23      LEU  28  -3.047   6.735   2.195
  804    H    ARG  29           HN       ARG  29  -2.014   5.942   4.087
  805    HA   ARG  29           HA       ARG  29  -0.029   3.905   4.830
  806    HE   ARG  29           HE       ARG  29  -0.555   4.442   8.995
  807    HB2  ARG  29           HB2      ARG  29  -2.663   4.517   6.178
  808    HB3  ARG  29           HB3      ARG  29  -1.321   3.582   6.825
  809    HG2  ARG  29           HG2      ARG  29  -0.973   6.460   6.107
  810    HG3  ARG  29           HG3      ARG  29  -1.678   5.988   7.651
  811    HD2  ARG  29           HD2      ARG  29   0.950   4.878   6.710
  812    HD3  ARG  29           HD3      ARG  29   0.843   6.423   7.557
  813   HH11  ARG  29          HH12      ARG  29   2.723   5.410   8.227
  814   HH12  ARG  29          HH11      ARG  29   3.379   4.788   9.709
  815   HH21  ARG  29          HH22      ARG  29   0.294   3.668  10.947
  816   HH22  ARG  29          HH21      ARG  29   2.003   3.808  11.257
  817    H    PHE  30           HN       PHE  30  -0.386   1.797   4.433
  818    HA   PHE  30           HA       PHE  30  -2.855   1.091   2.984
  819    HD1  PHE  30           HD1      PHE  30  -2.624  -1.830   2.069
  820    HD2  PHE  30           HD2      PHE  30  -1.005   1.284  -0.334
  821    HE1  PHE  30           HE1      PHE  30  -3.806  -2.730   0.105
  822    HE2  PHE  30           HE2      PHE  30  -2.184   0.400  -2.300
  823    HZ   PHE  30           HZ       PHE  30  -3.589  -1.616  -2.081
  824    HB2  PHE  30           HB2      PHE  30  -0.425   1.195   1.855
  825    HB3  PHE  30           HB3      PHE  30  -0.318  -0.417   2.545
  826    H    GLN  31           HN       GLN  31  -3.977  -0.590   3.826
  827    HA   GLN  31           HA       GLN  31  -2.550  -2.466   5.588
  828    HB2  GLN  31           HB2      GLN  31  -3.988  -0.963   6.928
  829    HB3  GLN  31           HB3      GLN  31  -5.376  -1.463   5.972
  830    HG2  GLN  31           HG2      GLN  31  -5.346  -2.613   8.095
  831    HG3  GLN  31           HG3      GLN  31  -5.112  -3.752   6.772
  832   HE21  GLN  31          HE21      GLN  31  -3.120  -4.779   6.536
  833   HE22  GLN  31          HE22      GLN  31  -1.912  -4.746   7.768
  834    H    ALA  32           HN       ALA  32  -2.354  -4.178   4.290
  835    HA   ALA  32           HA       ALA  32  -4.773  -5.118   2.899
  836    HB1  ALA  32           HB1      ALA  32  -2.989  -4.426   1.377
  837    HB2  ALA  32           HB2      ALA  32  -1.891  -5.574   2.143
  838    HB3  ALA  32           HB3      ALA  32  -3.303  -6.157   1.260
  839    HA   PRO  33           HA       PRO  33  -4.490  -8.707   5.614
  840    HB2  PRO  33           HB2      PRO  33  -6.517  -9.670   3.671
  841    HB3  PRO  33           HB3      PRO  33  -6.593  -9.599   5.435
  842    HG2  PRO  33           HG2      PRO  33  -7.985  -7.882   3.952
  843    HG3  PRO  33           HG3      PRO  33  -7.197  -7.359   5.452
  844    HD2  PRO  33           HD2      PRO  33  -6.322  -6.960   2.614
  845    HD3  PRO  33           HD3      PRO  33  -6.277  -5.821   3.977
  846    HA   PRO  34           HA       PRO  34  -1.800 -11.296   3.365
  847    HB2  PRO  34           HB2      PRO  34  -2.412 -13.789   4.317
  848    HB3  PRO  34           HB3      PRO  34  -1.482 -12.587   5.220
  849    HG2  PRO  34           HG2      PRO  34  -4.379 -13.298   5.435
  850    HG3  PRO  34           HG3      PRO  34  -3.210 -12.946   6.722
  851    HD2  PRO  34           HD2      PRO  34  -5.016 -11.124   5.882
  852    HD3  PRO  34           HD3      PRO  34  -3.397 -10.666   6.447
  853    H    GLY  35           HN       GLY  35  -1.958 -11.696   1.265
  854    HA2  GLY  35           HA1      GLY  35  -2.305 -13.342  -0.409
  855    HA3  GLY  35           HA2      GLY  35  -3.752 -13.857   0.436
  856    H    VAL  36           HN       VAL  36  -4.822 -11.136   0.705
  857    HA   VAL  36           HA       VAL  36  -6.345 -11.296  -1.701
  858    HB   VAL  36           HB       VAL  36  -7.686  -9.473  -0.813
  859   HG11  VAL  36          HG11      VAL  36  -8.387 -10.514   1.298
  860   HG12  VAL  36          HG12      VAL  36  -8.116 -11.709   0.029
  861   HG13  VAL  36          HG13      VAL  36  -6.913 -11.484   1.299
  862   HG21  VAL  36          HG21      VAL  36  -7.124  -8.427   1.340
  863   HG22  VAL  36          HG22      VAL  36  -5.575  -9.269   1.332
  864   HG23  VAL  36          HG23      VAL  36  -5.931  -8.065   0.094
  865    H    MET  37           HN       MET  37  -3.491  -9.669  -1.003
  866    HA   MET  37           HA       MET  37  -4.048  -7.357  -2.652
  867    HB2  MET  37           HB2      MET  37  -2.676  -7.255  -0.540
  868    HB3  MET  37           HB3      MET  37  -1.406  -8.106  -1.409
  869    HG2  MET  37           HG2      MET  37  -1.241  -5.569  -1.256
  870    HG3  MET  37           HG3      MET  37  -1.006  -6.309  -2.837
  871    HE1  MET  37           HE1      MET  37  -4.478  -5.927  -1.064
  872    HE2  MET  37           HE2      MET  37  -3.653  -4.463  -0.525
  873    HE3  MET  37           HE3      MET  37  -5.019  -4.350  -1.639
  874    H    THR  38           HN       THR  38  -3.919 -10.166  -3.738
  875    HA   THR  38           HA       THR  38  -1.776 -10.669  -5.381
  876    HB   THR  38           HB       THR  38  -3.475 -11.623  -7.004
  877    HG1  THR  38           HG1      THR  38  -5.134 -10.198  -5.278
  878   HG21  THR  38          HG21      THR  38  -2.519 -12.979  -5.212
  879   HG22  THR  38          HG22      THR  38  -4.213 -13.393  -5.474
  880   HG23  THR  38          HG23      THR  38  -3.753 -12.392  -4.096
  881    HA   PRO  39           HA       PRO  39  -1.136  -7.284  -8.073
  882    HB2  PRO  39           HB2      PRO  39  -0.829  -9.312 -10.234
  883    HB3  PRO  39           HB3      PRO  39   0.265  -8.015  -9.738
  884    HG2  PRO  39           HG2      PRO  39   0.787 -10.531  -9.074
  885    HG3  PRO  39           HG3      PRO  39   1.068  -9.218  -7.913
  886    HD2  PRO  39           HD2      PRO  39  -1.164 -11.206  -8.030
  887    HD3  PRO  39           HD3      PRO  39  -0.314 -10.547  -6.616
  888    H    GLU  40           HN       GLU  40  -3.422  -9.751  -9.123
  889    HA   GLU  40           HA       GLU  40  -4.635  -8.230 -11.178
  890    HB2  GLU  40           HB2      GLU  40  -4.931 -10.686 -10.897
  891    HB3  GLU  40           HB3      GLU  40  -5.890 -10.380  -9.455
  892    HG2  GLU  40           HG2      GLU  40  -7.543  -9.196 -10.782
  893    HG3  GLU  40           HG3      GLU  40  -6.574  -9.453 -12.232
  894    H    LEU  41           HN       LEU  41  -5.533  -8.759  -7.768
  895    HA   LEU  41           HA       LEU  41  -7.680  -6.912  -7.768
  896    HG   LEU  41           HG       LEU  41  -8.612  -6.420  -5.573
  897    HB2  LEU  41           HB2      LEU  41  -7.346  -8.745  -6.105
  898    HB3  LEU  41           HB3      LEU  41  -6.015  -7.834  -5.426
  899   HD11  LEU  41          HD11      LEU  41  -9.291  -8.670  -4.896
  900   HD12  LEU  41          HD12      LEU  41  -8.093  -8.638  -3.601
  901   HD13  LEU  41          HD13      LEU  41  -9.454  -7.517  -3.570
  902   HD21  LEU  41          HD21      LEU  41  -7.877  -5.627  -3.369
  903   HD22  LEU  41          HD22      LEU  41  -6.480  -6.698  -3.453
  904   HD23  LEU  41          HD23      LEU  41  -6.638  -5.365  -4.598
  905    H    GLN  42           HN       GLN  42  -4.246  -6.664  -7.119
  906    HA   GLN  42           HA       GLN  42  -4.072  -4.056  -6.152
  907    HB2  GLN  42           HB2      GLN  42  -2.179  -5.674  -6.349
  908    HB3  GLN  42           HB3      GLN  42  -2.176  -5.419  -8.086
  909    HG2  GLN  42           HG2      GLN  42  -0.444  -4.085  -7.273
  910    HG3  GLN  42           HG3      GLN  42  -1.773  -2.964  -7.566
  911   HE21  GLN  42          HE21      GLN  42  -2.860  -2.057  -5.800
  912   HE22  GLN  42          HE22      GLN  42  -2.178  -2.069  -4.214
  913    H    SER  43           HN       SER  43  -4.260  -5.270  -9.463
  914    HA   SER  43           HA       SER  43  -4.142  -2.711 -10.717
  915    HG   SER  43           HG       SER  43  -4.960  -2.873 -12.908
  916    HB2  SER  43           HB2      SER  43  -3.482  -4.762 -11.900
  917    HB3  SER  43           HB3      SER  43  -5.130  -5.373 -11.776
  918    H    ARG  44           HN       ARG  44  -6.691  -4.739  -9.452
  919    HA   ARG  44           HA       ARG  44  -8.863  -3.388 -10.665
  920    HE   ARG  44           HE       ARG  44  -8.848  -5.026 -12.540
  921    HB2  ARG  44           HB2      ARG  44  -8.715  -5.021  -8.129
  922    HB3  ARG  44           HB3      ARG  44 -10.214  -4.406  -8.808
  923    HG2  ARG  44           HG2      ARG  44  -8.340  -6.237 -10.286
  924    HG3  ARG  44           HG3      ARG  44  -9.716  -6.794  -9.337
  925    HD2  ARG  44           HD2      ARG  44 -10.380  -6.703 -11.638
  926    HD3  ARG  44           HD3      ARG  44 -11.194  -5.401 -10.776
  927   HH11  ARG  44          HH12      ARG  44 -11.852  -3.906 -11.123
  928   HH12  ARG  44          HH11      ARG  44 -11.849  -2.400 -11.982
  929   HH21  ARG  44          HH22      ARG  44  -8.861  -3.027 -13.698
  930   HH22  ARG  44          HH21      ARG  44 -10.161  -1.904 -13.438
  931    H    LEU  45           HN       LEU  45  -7.164  -2.936  -7.588
  932    HA   LEU  45           HA       LEU  45  -8.643  -0.698  -6.697
  933    HG   LEU  45           HG       LEU  45  -7.273  -3.097  -5.351
  934    HB2  LEU  45           HB2      LEU  45  -5.721  -1.371  -6.281
  935    HB3  LEU  45           HB3      LEU  45  -6.605  -0.153  -5.385
  936   HD11  LEU  45          HD11      LEU  45  -5.746  -1.431  -3.354
  937   HD12  LEU  45          HD12      LEU  45  -6.273  -3.097  -3.111
  938   HD13  LEU  45          HD13      LEU  45  -5.086  -2.720  -4.361
  939   HD21  LEU  45          HD21      LEU  45  -9.175  -1.667  -4.850
  940   HD22  LEU  45          HD22      LEU  45  -8.621  -2.492  -3.392
  941   HD23  LEU  45          HD23      LEU  45  -8.220  -0.793  -3.651
  942    H    GLY  46           HN       GLY  46  -5.702  -0.987  -8.657
  943    HA2  GLY  46           HA1      GLY  46  -5.273   0.166 -10.629
  944    HA3  GLY  46           HA2      GLY  46  -6.626   1.224 -10.277
  945    H    GLY  47           HN       GLY  47  -5.442   1.670  -7.523
  946    HA2  GLY  47           HA1      GLY  47  -3.989   3.153  -6.513
  947    HA3  GLY  47           HA2      GLY  47  -2.986   3.084  -7.956
  948    H    ALA  48           HN       ALA  48  -6.221   3.785  -8.625
  949    HA   ALA  48           HA       ALA  48  -5.543   6.451  -9.488
  950    HB1  ALA  48           HB1      ALA  48  -7.788   6.487 -10.434
  951    HB2  ALA  48           HB2      ALA  48  -6.954   4.994 -10.864
  952    HB3  ALA  48           HB3      ALA  48  -8.179   4.984  -9.598
  953    H    ARG  49           HN       ARG  49  -6.688   8.371  -8.833
  954    HA   ARG  49           HA       ARG  49  -6.796   8.476  -5.998
  955    HE   ARG  49           HE       ARG  49  -5.310  11.519  -9.351
  956    HB2  ARG  49           HB2      ARG  49  -7.344  10.866  -6.274
  957    HB3  ARG  49           HB3      ARG  49  -5.936  10.375  -7.198
  958    HG2  ARG  49           HG2      ARG  49  -7.362  10.268  -9.223
  959    HG3  ARG  49           HG3      ARG  49  -8.701  10.903  -8.262
  960    HD2  ARG  49           HD2      ARG  49  -7.664  12.726  -9.442
  961    HD3  ARG  49           HD3      ARG  49  -7.303  12.884  -7.725
  962   HH11  ARG  49          HH12      ARG  49  -6.314  14.513  -7.810
  963   HH12  ARG  49          HH11      ARG  49  -4.720  15.208  -7.846
  964   HH21  ARG  49          HH22      ARG  49  -3.240  12.454  -9.434
  965   HH22  ARG  49          HH21      ARG  49  -2.985  14.060  -8.821
  966    H    HIS  50           HN       HIS  50  -9.321   8.712  -8.485
  967    HA   HIS  50           HA       HIS  50 -11.419   9.205  -6.673
  968    HD1  HIS  50           HD1      HIS  50 -11.934   6.088  -9.870
  969    HD2  HIS  50           HD2      HIS  50 -10.134   9.721 -10.838
  970    HE1  HIS  50           HE1      HIS  50 -10.695   5.689 -12.019
  971    HE2  HIS  50           HE2      HIS  50  -9.638   7.898 -12.606
  972    HB2  HIS  50           HB2      HIS  50 -12.873   8.196  -8.584
  973    HB3  HIS  50           HB3      HIS  50 -12.041   9.721  -8.837
  974    H    GLU  51           HN       GLU  51  -9.996   6.184  -7.813
  975    HA   GLU  51           HA       GLU  51 -11.898   4.450  -6.656
  976    HB2  GLU  51           HB2      GLU  51  -9.135   4.189  -7.687
  977    HB3  GLU  51           HB3      GLU  51  -9.627   2.979  -6.512
  978    HG2  GLU  51           HG2      GLU  51 -10.046   2.139  -8.705
  979    HG3  GLU  51           HG3      GLU  51 -11.592   2.469  -7.925
  980    H    LEU  52           HN       LEU  52  -8.867   5.806  -5.447
  981    HA   LEU  52           HA       LEU  52  -8.972   4.428  -2.971
  982    HG   LEU  52           HG       LEU  52  -6.697   5.063  -5.134
  983    HB2  LEU  52           HB2      LEU  52  -7.415   6.897  -3.732
  984    HB3  LEU  52           HB3      LEU  52  -7.156   5.941  -2.283
  985   HD11  LEU  52          HD11      LEU  52  -4.968   6.520  -4.259
  986   HD12  LEU  52          HD12      LEU  52  -4.814   5.506  -2.824
  987   HD13  LEU  52          HD13      LEU  52  -4.366   4.868  -4.406
  988   HD21  LEU  52          HD21      LEU  52  -7.586   3.196  -3.882
  989   HD22  LEU  52          HD22      LEU  52  -5.858   2.967  -4.152
  990   HD23  LEU  52          HD23      LEU  52  -6.440   3.492  -2.573
  991    H    ILE  53           HN       ILE  53 -10.359   7.415  -4.099
  992    HA   ILE  53           HA       ILE  53 -10.931   8.565  -1.580
  993    HB   ILE  53           HB       ILE  53 -12.365   8.830  -4.226
  994   HG12  ILE  53          HG12      ILE  53 -10.525  10.715  -2.735
  995   HG13  ILE  53          HG13      ILE  53 -10.061   9.719  -4.109
  996   HG21  ILE  53          HG21      ILE  53 -13.514  10.775  -3.261
  997   HG22  ILE  53          HG22      ILE  53 -13.951   9.276  -2.438
  998   HG23  ILE  53          HG23      ILE  53 -12.815  10.393  -1.688
  999   HD11  ILE  53          HD11      ILE  53 -12.132  11.905  -4.162
 1000   HD12  ILE  53          HD12      ILE  53 -10.474  12.038  -4.751
 1001   HD13  ILE  53          HD13      ILE  53 -11.604  10.934  -5.536
 1002    H    ALA  54           HN       ALA  54 -12.875   6.453  -3.702
 1003    HA   ALA  54           HA       ALA  54 -15.030   6.149  -1.894
 1004    HB1  ALA  54           HB1      ALA  54 -15.662   4.211  -3.258
 1005    HB2  ALA  54           HB2      ALA  54 -15.235   5.594  -4.266
 1006    HB3  ALA  54           HB3      ALA  54 -14.093   4.266  -4.062
 1007    H    LEU  55           HN       LEU  55 -12.066   4.337  -2.444
 1008    HA   LEU  55           HA       LEU  55 -12.468   2.228  -0.659
 1009    HG   LEU  55           HG       LEU  55  -8.997   1.202  -1.478
 1010    HB2  LEU  55           HB2      LEU  55 -10.590   2.718  -2.413
 1011    HB3  LEU  55           HB3      LEU  55  -9.784   3.514  -1.079
 1012   HD11  LEU  55          HD11      LEU  55  -9.068   0.467   0.844
 1013   HD12  LEU  55          HD12      LEU  55  -8.757   2.198   0.725
 1014   HD13  LEU  55          HD13      LEU  55 -10.360   1.621   1.175
 1015   HD21  LEU  55          HD21      LEU  55 -11.073   0.210  -2.227
 1016   HD22  LEU  55          HD22      LEU  55 -10.436  -0.674  -0.839
 1017   HD23  LEU  55          HD23      LEU  55 -11.786   0.443  -0.631
 1018    H    LEU  56           HN       LEU  56 -10.967   5.404  -0.164
 1019    HA   LEU  56           HA       LEU  56 -10.290   5.252   2.523
 1020    HG   LEU  56           HG       LEU  56  -9.329   8.764   2.198
 1021    HB2  LEU  56           HB2      LEU  56 -10.404   7.207   0.530
 1022    HB3  LEU  56           HB3      LEU  56 -11.438   7.824   1.801
 1023   HD11  LEU  56          HD11      LEU  56 -10.359   7.906   4.220
 1024   HD12  LEU  56          HD12      LEU  56  -9.543   6.358   3.992
 1025   HD13  LEU  56          HD13      LEU  56  -8.600   7.812   4.317
 1026   HD21  LEU  56          HD21      LEU  56  -8.109   6.027   1.908
 1027   HD22  LEU  56          HD22      LEU  56  -8.066   7.305   0.692
 1028   HD23  LEU  56          HD23      LEU  56  -7.250   7.531   2.239
 1029    H    ARG  57           HN       ARG  57 -13.330   6.155   1.008
 1030    HA   ARG  57           HA       ARG  57 -14.634   7.066   3.327
 1031    HE   ARG  57           HE       ARG  57 -17.071   9.473   1.255
 1032    HB2  ARG  57           HB2      ARG  57 -15.347   7.743   1.115
 1033    HB3  ARG  57           HB3      ARG  57 -15.739   6.083   0.693
 1034    HG2  ARG  57           HG2      ARG  57 -17.549   6.062   2.287
 1035    HG3  ARG  57           HG3      ARG  57 -17.116   7.679   2.845
 1036    HD2  ARG  57           HD2      ARG  57 -17.931   7.021   0.019
 1037    HD3  ARG  57           HD3      ARG  57 -19.039   7.615   1.257
 1038   HH11  ARG  57          HH12      ARG  57 -18.969   8.052  -1.321
 1039   HH12  ARG  57          HH11      ARG  57 -19.026   9.519  -2.255
 1040   HH21  ARG  57          HH22      ARG  57 -17.117  11.381   0.027
 1041   HH22  ARG  57          HH21      ARG  57 -17.961  11.409  -1.493
 1042    H    GLN  58           HN       GLN  58 -14.252   3.853   1.989
 1043    HA   GLN  58           HA       GLN  58 -16.468   2.647   3.250
 1044    HB2  GLN  58           HB2      GLN  58 -15.668   0.647   2.466
 1045    HB3  GLN  58           HB3      GLN  58 -14.798   1.752   1.413
 1046    HG2  GLN  58           HG2      GLN  58 -12.867   1.604   2.972
 1047    HG3  GLN  58           HG3      GLN  58 -13.742   0.363   3.863
 1048   HE21  GLN  58          HE21      GLN  58 -11.223   0.145   2.542
 1049   HE22  GLN  58          HE22      GLN  58 -11.383  -1.081   1.339
 1050    H    LEU  59           HN       LEU  59 -13.287   3.483   4.463
 1051    HA   LEU  59           HA       LEU  59 -13.942   2.108   6.980
 1052    HG   LEU  59           HG       LEU  59 -11.154   4.246   5.848
 1053    HB2  LEU  59           HB2      LEU  59 -11.571   2.203   7.543
 1054    HB3  LEU  59           HB3      LEU  59 -11.837   1.358   6.033
 1055   HD11  LEU  59          HD11      LEU  59  -9.623   3.461   7.581
 1056   HD12  LEU  59          HD12      LEU  59  -9.144   2.110   6.554
 1057   HD13  LEU  59          HD13      LEU  59  -8.766   3.764   6.071
 1058   HD21  LEU  59          HD21      LEU  59 -10.275   1.783   4.344
 1059   HD22  LEU  59          HD22      LEU  59 -11.573   2.874   3.858
 1060   HD23  LEU  59          HD23      LEU  59  -9.908   3.452   3.909
 1061    H    GLN  60           HN       GLN  60 -14.680   4.865   5.847
 1062    HA   GLN  60           HA       GLN  60 -13.518   6.756   7.632
 1063    HB2  GLN  60           HB2      GLN  60 -14.596   7.359   5.473
 1064    HB3  GLN  60           HB3      GLN  60 -16.153   6.907   6.150
 1065    HG2  GLN  60           HG2      GLN  60 -15.970   8.671   7.806
 1066    HG3  GLN  60           HG3      GLN  60 -14.378   9.106   7.186
 1067   HE21  GLN  60          HE21      GLN  60 -15.063  11.208   6.708
 1068   HE22  GLN  60          HE22      GLN  60 -16.106  11.540   5.362
 1069    HA   PRO  61           HA       PRO  61 -15.457   5.218  11.270
 1070    HB2  PRO  61           HB2      PRO  61 -14.999   7.428  12.846
 1071    HB3  PRO  61           HB3      PRO  61 -13.808   6.163  12.518
 1072    HG2  PRO  61           HG2      PRO  61 -14.135   8.841  11.229
 1073    HG3  PRO  61           HG3      PRO  61 -12.648   8.002  11.714
 1074    HD2  PRO  61           HD2      PRO  61 -13.451   8.067   9.155
 1075    HD3  PRO  61           HD3      PRO  61 -12.665   6.630   9.844
 1076    H    SER  62           HN       SER  62 -17.173   5.645  12.720
 1077    HA   SER  62           HA       SER  62 -19.212   7.419  11.564
 1078    HG   SER  62           HG       SER  62 -18.429   4.597  13.489
 1079    HB2  SER  62           HB2      SER  62 -20.824   5.987  12.836
 1080    HB3  SER  62           HB3      SER  62 -19.888   5.092  11.637
 1081    H    SER  63           HN       SER  63 -20.792   8.308  13.216
 1082    HA   SER  63           HA       SER  63 -19.304   9.301  15.551
 1083    HG   SER  63           HG       SER  63 -19.060  11.104  14.110
 1084    HB2  SER  63           HB2      SER  63 -21.798  10.400  14.217
 1085    HB3  SER  63           HB3      SER  63 -20.962  11.127  15.592
 1086    H    GLN  64           HN       GLN  64 -20.188   9.140  17.609
 1087    HA   GLN  64           HA       GLN  64 -22.570   7.416  17.830
 1088    HB2  GLN  64           HB2      GLN  64 -21.562   6.191  19.637
 1089    HB3  GLN  64           HB3      GLN  64 -20.464   6.152  18.267
 1090    HG2  GLN  64           HG2      GLN  64 -20.184   8.076  20.562
 1091    HG3  GLN  64           HG3      GLN  64 -19.406   6.498  20.513
 1092   HE21  GLN  64          HE21      GLN  64 -18.817   6.568  17.681
 1093   HE22  GLN  64          HE22      GLN  64 -17.541   7.722  17.490
 1094    H    GLY  65           HN       GLY  65 -20.918  10.227  18.789
 1095    HA2  GLY  65           HA1      GLY  65 -21.816  12.004  20.014
 1096    HA3  GLY  65           HA2      GLY  65 -23.049  10.921  20.651
 1097    H    GLY  66           HN       GLY  66 -22.466   9.451  22.336
 1098    HA2  GLY  66           HA1      GLY  66 -19.935   9.420  23.582
 1099    HA3  GLY  66           HA2      GLY  66 -20.956  10.602  24.391
 1100    H    SER  67           HN       SER  67 -23.371   9.525  24.399
 1101    HA   SER  67           HA       SER  67 -24.785   8.008  25.287
 1102    HG   SER  67           HG       SER  67 -24.170   7.322  23.117
 1103    HB2  SER  67           HB2      SER  67 -22.569   5.990  24.878
 1104    HB3  SER  67           HB3      SER  67 -24.279   5.634  25.138
 1105    H    LEU  68           HN       LEU  68 -24.949   8.871  27.282
 1106    HA   LEU  68           HA       LEU  68 -23.222   7.712  29.374
 1107    HG   LEU  68           HG       LEU  68 -24.254   9.479  31.636
 1108    HB2  LEU  68           HB2      LEU  68 -22.825  10.126  29.058
 1109    HB3  LEU  68           HB3      LEU  68 -24.529  10.437  29.333
 1110   HD11  LEU  68          HD11      LEU  68 -21.958   9.349  32.524
 1111   HD12  LEU  68          HD12      LEU  68 -22.273   8.148  31.272
 1112   HD13  LEU  68          HD13      LEU  68 -21.335   9.591  30.893
 1113   HD21  LEU  68          HD21      LEU  68 -24.304  11.876  31.270
 1114   HD22  LEU  68          HD22      LEU  68 -23.150  11.475  32.541
 1115   HD23  LEU  68          HD23      LEU  68 -22.574  11.881  30.924
 1116    H    LEU  69           HN       LEU  69 -24.235   7.051  31.278
 1117    HA   LEU  69           HA       LEU  69 -27.175   6.991  31.166
 1118    HG   LEU  69           HG       LEU  69 -25.242   5.015  33.623
 1119    HB2  LEU  69           HB2      LEU  69 -27.222   4.798  32.027
 1120    HB3  LEU  69           HB3      LEU  69 -26.054   4.777  30.722
 1121   HD11  LEU  69          HD11      LEU  69 -25.470   2.517  31.949
 1122   HD12  LEU  69          HD12      LEU  69 -24.787   2.624  33.571
 1123   HD13  LEU  69          HD13      LEU  69 -26.503   2.946  33.313
 1124   HD21  LEU  69          HD21      LEU  69 -23.723   4.172  31.153
 1125   HD22  LEU  69          HD22      LEU  69 -23.563   5.717  31.990
 1126   HD23  LEU  69          HD23      LEU  69 -23.084   4.224  32.795
 1127    H    ALA  70           HN       ALA  70 -28.267   7.464  33.003
 1128    HA   ALA  70           HA       ALA  70 -26.693   8.289  35.336
 1129    HB1  ALA  70           HB1      ALA  70 -28.361   9.876  34.452
 1130    HB2  ALA  70           HB2      ALA  70 -29.631   8.689  34.748
 1131    HB3  ALA  70           HB3      ALA  70 -28.738   9.377  36.103
 1132    HA   PRO  71           HA       PRO  71 -27.610   4.485  37.366
 1133    HB2  PRO  71           HB2      PRO  71 -27.390   5.911  39.925
 1134    HB3  PRO  71           HB3      PRO  71 -26.370   4.632  39.262
 1135    HG2  PRO  71           HG2      PRO  71 -25.513   7.175  39.464
 1136    HG3  PRO  71           HG3      PRO  71 -25.017   6.119  38.128
 1137    HD2  PRO  71           HD2      PRO  71 -27.092   8.280  38.168
 1138    HD3  PRO  71           HD3      PRO  71 -25.891   7.897  36.915
 1139    H    VAL  72           HN       VAL  72 -29.890   4.772  36.582
 1140    HA   VAL  72           HA       VAL  72 -31.791   5.694  38.542
 1141    HB   VAL  72           HB       VAL  72 -32.337   6.112  36.242
 1142   HG11  VAL  72          HG11      VAL  72 -32.274   3.128  35.802
 1143   HG12  VAL  72          HG12      VAL  72 -32.760   4.342  34.616
 1144   HG13  VAL  72          HG13      VAL  72 -31.096   4.292  35.196
 1145   HG21  VAL  72          HG21      VAL  72 -34.569   5.097  36.088
 1146   HG22  VAL  72          HG22      VAL  72 -34.138   3.985  37.388
 1147   HG23  VAL  72          HG23      VAL  72 -34.221   5.720  37.700
 1148    H    ALA  73           HN       ALA  73 -31.101   4.303  40.228
 1149    HA   ALA  73           HA       ALA  73 -32.583   1.782  40.189
 1150    HB1  ALA  73           HB1      ALA  73 -29.731   2.003  41.158
 1151    HB2  ALA  73           HB2      ALA  73 -30.748   0.565  41.221
 1152    HB3  ALA  73           HB3      ALA  73 -30.243   1.218  39.663
 1153    H    ARG  74           HN       ARG  74 -32.312   4.657  41.462
 1154    HA   ARG  74           HA       ARG  74 -32.605   3.843  44.259
 1155    HE   ARG  74           HE       ARG  74 -30.833   8.632  41.125
 1156    HB2  ARG  74           HB2      ARG  74 -32.423   6.321  44.719
 1157    HB3  ARG  74           HB3      ARG  74 -30.972   5.573  44.067
 1158    HG2  ARG  74           HG2      ARG  74 -31.468   6.467  41.864
 1159    HG3  ARG  74           HG3      ARG  74 -32.980   7.151  42.464
 1160    HD2  ARG  74           HD2      ARG  74 -31.820   8.677  43.877
 1161    HD3  ARG  74           HD3      ARG  74 -30.279   7.872  43.584
 1162   HH11  ARG  74          HH12      ARG  74 -31.373  10.445  44.078
 1163   HH12  ARG  74          HH11      ARG  74 -31.053  11.984  43.341
 1164   HH21  ARG  74          HH22      ARG  74 -30.441  10.636  40.145
 1165   HH22  ARG  74          HH21      ARG  74 -30.530  12.097  41.084
 1166    H    ASN  75           HN       ASN  75 -34.387   4.673  45.475
 1167    HA   ASN  75           HA       ASN  75 -36.828   4.531  44.016
 1168    HB2  ASN  75           HB2      ASN  75 -36.225   5.088  46.920
 1169    HB3  ASN  75           HB3      ASN  75 -37.866   5.040  46.281
 1170   HD21  ASN  75          HD21      ASN  75 -37.274   2.933  44.368
 1171   HD22  ASN  75          HD22      ASN  75 -37.131   1.470  45.289
 1172    H    GLY  76           HN       GLY  76 -37.907   6.082  43.061
 1173    HA2  GLY  76           HA1      GLY  76 -37.320   8.876  43.815
 1174    HA3  GLY  76           HA2      GLY  76 -37.863   8.359  42.224
 1175    H    ARG  77           HN       ARG  77 -39.351   6.802  44.845
 1176    HA   ARG  77           HA       ARG  77 -41.436   6.784  45.694
 1177    HE   ARG  77           HE       ARG  77 -41.009   9.368  49.821
 1178    HB2  ARG  77           HB2      ARG  77 -41.124   9.738  45.254
 1179    HB3  ARG  77           HB3      ARG  77 -42.594   9.049  45.931
 1180    HG2  ARG  77           HG2      ARG  77 -41.343   8.114  47.777
 1181    HG3  ARG  77           HG3      ARG  77 -39.834   8.719  47.086
 1182    HD2  ARG  77           HD2      ARG  77 -40.515  10.982  47.404
 1183    HD3  ARG  77           HD3      ARG  77 -42.148  10.487  47.844
 1184   HH11  ARG  77          HH12      ARG  77 -39.746  12.228  48.261
 1185   HH12  ARG  77          HH11      ARG  77 -39.003  12.855  49.702
 1186   HH21  ARG  77          HH22      ARG  77 -40.047  10.189  51.739
 1187   HH22  ARG  77          HH21      ARG  77 -39.202  11.712  51.685
 1188    H    LEU  78           HN       LEU  78 -42.084   5.512  43.896
 1189    HA   LEU  78           HA       LEU  78 -44.068   6.924  42.240
 1190    HG   LEU  78           HG       LEU  78 -42.637   7.139  40.267
 1191    HB2  LEU  78           HB2      LEU  78 -42.462   4.446  41.590
 1192    HB3  LEU  78           HB3      LEU  78 -43.881   4.930  40.685
 1193   HD11  LEU  78          HD11      LEU  78 -40.877   6.802  41.938
 1194   HD12  LEU  78          HD12      LEU  78 -40.291   5.411  41.030
 1195   HD13  LEU  78          HD13      LEU  78 -40.218   7.023  40.317
 1196   HD21  LEU  78          HD21      LEU  78 -43.072   5.500  38.539
 1197   HD22  LEU  78          HD22      LEU  78 -41.451   6.169  38.353
 1198   HD23  LEU  78          HD23      LEU  78 -41.667   4.561  39.047
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  23.906   3.312  12.696
    2    H2   GLY   1           H2       GLY   1  25.541   3.748  12.556
    3    H3   GLY   1           H3       GLY   1  24.329   4.815  12.036
    4    HA2  GLY   1           HA2      GLY   1  25.291   5.478  14.174
    5    HA3  GLY   1           HA1      GLY   1  23.562   5.155  14.260
    6    HA   PRO   2           HA       PRO   2  26.117   2.453  17.325
    7    HB2  PRO   2           HB2      PRO   2  25.042   4.359  19.317
    8    HB3  PRO   2           HB3      PRO   2  26.651   3.641  19.208
    9    HG2  PRO   2           HG2      PRO   2  26.234   6.215  18.613
   10    HG3  PRO   2           HG3      PRO   2  27.406   5.236  17.711
   11    HD2  PRO   2           HD2      PRO   2  24.643   6.080  16.935
   12    HD3  PRO   2           HD3      PRO   2  26.110   5.965  15.939
   13    H    LEU   3           HN       LEU   3  23.126   4.316  17.859
   14    HA   LEU   3           HA       LEU   3  21.774   1.867  18.707
   15    HG   LEU   3           HG       LEU   3  18.904   3.172  18.614
   16    HB2  LEU   3           HB2      LEU   3  21.452   3.902  20.060
   17    HB3  LEU   3           HB3      LEU   3  20.803   4.729  18.658
   18   HD11  LEU   3          HD11      LEU   3  19.936   1.210  19.561
   19   HD12  LEU   3          HD12      LEU   3  20.173   2.036  21.101
   20   HD13  LEU   3          HD13      LEU   3  18.543   1.670  20.538
   21   HD21  LEU   3          HD21      LEU   3  17.783   4.005  20.616
   22   HD22  LEU   3          HD22      LEU   3  19.339   4.480  21.300
   23   HD23  LEU   3          HD23      LEU   3  18.732   5.278  19.848
   24    H    GLY   4           HN       GLY   4  21.320   0.683  16.951
   25    HA2  GLY   4           HA1      GLY   4  19.305   1.710  15.136
   26    HA3  GLY   4           HA2      GLY   4  20.838   1.295  14.381
   27    H    SER   5           HN       SER   5  17.862   0.131  15.488
   28    HA   SER   5           HA       SER   5  18.466  -2.445  16.345
   29    HG   SER   5           HG       SER   5  15.346  -1.268  17.263
   30    HB2  SER   5           HB2      SER   5  15.947  -1.570  14.921
   31    HB3  SER   5           HB3      SER   5  16.120  -2.913  16.054
   32    H    SER   6           HN       SER   6  16.791  -1.867  13.239
   33    HA   SER   6           HA       SER   6  18.691  -3.344  11.718
   34    HG   SER   6           HG       SER   6  18.598  -5.639  11.168
   35    HB2  SER   6           HB2      SER   6  17.533  -5.136  13.132
   36    HB3  SER   6           HB3      SER   6  16.082  -4.798  12.188
   37    H    ALA   7           HN       ALA   7  18.571  -2.156   9.936
   38    HA   ALA   7           HA       ALA   7  15.900  -1.570   8.823
   39    HB1  ALA   7           HB1      ALA   7  17.137   0.455   9.399
   40    HB2  ALA   7           HB2      ALA   7  18.497  -0.080   8.411
   41    HB3  ALA   7           HB3      ALA   7  16.956   0.314   7.651
   42    H    GLY   8           HN       GLY   8  19.241  -2.439   8.026
   43    HA2  GLY   8           HA1      GLY   8  18.907  -2.861   5.278
   44    HA3  GLY   8           HA2      GLY   8  20.153  -3.601   6.272
   45    H    ALA   9           HN       ALA   9  18.628  -5.150   7.976
   46    HA   ALA   9           HA       ALA   9  18.130  -7.437   6.428
   47    HB1  ALA   9           HB1      ALA   9  17.153  -6.809   9.210
   48    HB2  ALA   9           HB2      ALA   9  17.219  -8.410   8.472
   49    HB3  ALA   9           HB3      ALA   9  18.710  -7.530   8.799
   50    H    LEU  10           HN       LEU  10  15.939  -5.023   7.781
   51    HA   LEU  10           HA       LEU  10  13.531  -6.279   7.035
   52    HG   LEU  10           HG       LEU  10  12.212  -3.386   6.247
   53    HB2  LEU  10           HB2      LEU  10  13.466  -4.619   8.702
   54    HB3  LEU  10           HB3      LEU  10  14.256  -3.434   7.679
   55   HD11  LEU  10          HD11      LEU  10  10.137  -4.328   7.131
   56   HD12  LEU  10          HD12      LEU  10  11.321  -5.587   6.778
   57   HD13  LEU  10          HD13      LEU  10  11.039  -5.083   8.445
   58   HD21  LEU  10          HD21      LEU  10  12.579  -1.710   7.970
   59   HD22  LEU  10          HD22      LEU  10  10.865  -2.091   7.816
   60   HD23  LEU  10          HD23      LEU  10  11.796  -2.749   9.162
   61    H    LEU  11           HN       LEU  11  15.453  -3.738   5.469
   62    HA   LEU  11           HA       LEU  11  13.876  -3.407   3.185
   63    HG   LEU  11           HG       LEU  11  15.791  -1.661   4.957
   64    HB2  LEU  11           HB2      LEU  11  16.885  -3.254   3.413
   65    HB3  LEU  11           HB3      LEU  11  15.932  -2.605   2.095
   66   HD11  LEU  11          HD11      LEU  11  17.119  -0.467   2.533
   67   HD12  LEU  11          HD12      LEU  11  16.954   0.325   4.101
   68   HD13  LEU  11          HD13      LEU  11  17.928  -1.138   3.948
   69   HD21  LEU  11          HD21      LEU  11  14.492   0.195   4.018
   70   HD22  LEU  11          HD22      LEU  11  14.552  -0.569   2.430
   71   HD23  LEU  11          HD23      LEU  11  13.691  -1.354   3.754
   72    H    ALA  12           HN       ALA  12  16.624  -5.550   3.792
   73    HA   ALA  12           HA       ALA  12  16.848  -6.629   1.244
   74    HB1  ALA  12           HB1      ALA  12  17.508  -7.995   3.844
   75    HB2  ALA  12           HB2      ALA  12  18.152  -8.393   2.251
   76    HB3  ALA  12           HB3      ALA  12  18.545  -6.846   3.002
   77    H    HIS  13           HN       HIS  13  15.023  -7.924   4.048
   78    HA   HIS  13           HA       HIS  13  14.255 -10.248   2.582
   79    HD1  HIS  13           HD1      HIS  13  10.791 -10.342   4.859
   80    HD2  HIS  13           HD2      HIS  13  13.552  -7.717   6.503
   81    HE1  HIS  13           HE1      HIS  13   9.477  -8.832   6.373
   82    HE2  HIS  13           HE2      HIS  13  11.222  -7.491   7.596
   83    HB2  HIS  13           HB2      HIS  13  13.227 -11.018   4.509
   84    HB3  HIS  13           HB3      HIS  13  14.476  -9.967   5.155
   85    H    ALA  14           HN       ALA  14  12.863  -7.089   3.019
   86    HA   ALA  14           HA       ALA  14  10.282  -7.829   1.977
   87    HB1  ALA  14           HB1      ALA  14  10.514  -5.914   3.478
   88    HB2  ALA  14           HB2      ALA  14  11.528  -5.098   2.288
   89    HB3  ALA  14           HB3      ALA  14   9.835  -5.427   1.925
   90    H    ALA  15           HN       ALA  15  13.217  -6.328   0.722
   91    HA   ALA  15           HA       ALA  15  12.265  -5.808  -1.882
   92    HB1  ALA  15           HB1      ALA  15  14.267  -4.738  -0.966
   93    HB2  ALA  15           HB2      ALA  15  15.099  -6.293  -0.969
   94    HB3  ALA  15           HB3      ALA  15  14.611  -5.551  -2.493
   95    H    SER  16           HN       SER  16  13.838  -8.593  -0.413
   96    HA   SER  16           HA       SER  16  14.222 -10.041  -2.818
   97    HG   SER  16           HG       SER  16  14.261 -12.884  -1.279
   98    HB2  SER  16           HB2      SER  16  15.420 -10.440  -0.634
   99    HB3  SER  16           HB3      SER  16  13.945 -11.190  -0.033
  100    H    LEU  17           HN       LEU  17  11.485  -9.572  -0.741
  101    HA   LEU  17           HA       LEU  17   9.966 -11.740  -1.919
  102    HG   LEU  17           HG       LEU  17  10.519 -11.043   1.087
  103    HB2  LEU  17           HB2      LEU  17   9.108  -9.449  -0.144
  104    HB3  LEU  17           HB3      LEU  17   8.066 -10.765  -0.651
  105   HD11  LEU  17          HD11      LEU  17   7.583 -11.170   1.744
  106   HD12  LEU  17          HD12      LEU  17   8.896 -11.562   2.855
  107   HD13  LEU  17          HD13      LEU  17   8.718  -9.917   2.244
  108   HD21  LEU  17          HD21      LEU  17   8.449 -13.081   0.280
  109   HD22  LEU  17          HD22      LEU  17  10.117 -13.021  -0.293
  110   HD23  LEU  17          HD23      LEU  17   9.780 -13.340   1.409
  111    H    GLY  18           HN       GLY  18  10.585  -8.389  -2.470
  112    HA2  GLY  18           HA1      GLY  18  10.220  -7.426  -4.614
  113    HA3  GLY  18           HA2      GLY  18   8.860  -8.512  -4.834
  114    H    VAL  19           HN       VAL  19   8.999  -7.039  -1.748
  115    HA   VAL  19           HA       VAL  19   6.603  -5.554  -2.233
  116    HB   VAL  19           HB       VAL  19   8.482  -5.358   0.134
  117   HG11  VAL  19          HG11      VAL  19   6.555  -4.411   1.306
  118   HG12  VAL  19          HG12      VAL  19   7.014  -3.423  -0.081
  119   HG13  VAL  19          HG13      VAL  19   5.610  -4.488  -0.181
  120   HG21  VAL  19          HG21      VAL  19   7.676  -7.616  -0.043
  121   HG22  VAL  19          HG22      VAL  19   6.806  -6.809   1.266
  122   HG23  VAL  19          HG23      VAL  19   6.023  -7.052  -0.297
  123    H    ARG  20           HN       ARG  20   6.524  -3.701  -3.295
  124    HA   ARG  20           HA       ARG  20   8.768  -1.814  -3.030
  125    HE   ARG  20           HE       ARG  20  11.711  -3.837  -6.051
  126    HB2  ARG  20           HB2      ARG  20   7.395  -2.686  -5.576
  127    HB3  ARG  20           HB3      ARG  20   8.425  -1.261  -5.471
  128    HG2  ARG  20           HG2      ARG  20  10.293  -2.645  -4.770
  129    HG3  ARG  20           HG3      ARG  20   9.268  -4.075  -4.834
  130    HD2  ARG  20           HD2      ARG  20   9.116  -3.996  -7.174
  131    HD3  ARG  20           HD3      ARG  20   9.716  -2.334  -7.239
  132   HH11  ARG  20          HH12      ARG  20  10.097  -3.848  -9.163
  133   HH12  ARG  20          HH11      ARG  20  11.519  -4.362 -10.022
  134   HH21  ARG  20          HH22      ARG  20  13.542  -4.525  -7.164
  135   HH22  ARG  20          HH21      ARG  20  13.470  -4.790  -8.882
  136    H    LEU  21           HN       LEU  21   8.206   0.241  -2.668
  137    HA   LEU  21           HA       LEU  21   5.455   1.094  -3.262
  138    HG   LEU  21           HG       LEU  21   4.455   0.313  -1.150
  139    HB2  LEU  21           HB2      LEU  21   7.087   1.707  -0.798
  140    HB3  LEU  21           HB3      LEU  21   5.657   2.610  -1.247
  141   HD11  LEU  21          HD11      LEU  21   6.881  -0.265   0.539
  142   HD12  LEU  21          HD12      LEU  21   5.424  -1.254   0.447
  143   HD13  LEU  21          HD13      LEU  21   6.454  -1.067  -0.974
  144   HD21  LEU  21          HD21      LEU  21   4.037   0.619   1.236
  145   HD22  LEU  21          HD22      LEU  21   5.443   1.678   1.348
  146   HD23  LEU  21          HD23      LEU  21   4.049   2.161   0.381
  147    H    TRP  22           HN       TRP  22   5.317   2.965  -4.375
  148    HA   TRP  22           HA       TRP  22   7.433   4.933  -4.176
  149    HD1  TRP  22           HD1      TRP  22   6.243   5.344  -8.525
  150    HE1  TRP  22           HE1      TRP  22   4.795   3.738  -9.930
  151    HE3  TRP  22           HE3      TRP  22   6.808   1.110  -5.722
  152    HZ2  TRP  22           HZ2      TRP  22   4.009   1.022  -9.844
  153    HZ3  TRP  22           HZ3      TRP  22   5.673  -0.945  -6.447
  154    HH2  TRP  22           HH2      TRP  22   4.299  -0.986  -8.458
  155    HB2  TRP  22           HB2      TRP  22   7.902   5.059  -6.554
  156    HB3  TRP  22           HB3      TRP  22   8.221   3.425  -5.991
  157    H    VAL  23           HN       VAL  23   6.773   7.011  -4.856
  158    HA   VAL  23           HA       VAL  23   3.892   7.318  -4.977
  159    HB   VAL  23           HB       VAL  23   5.071   8.776  -3.441
  160   HG11  VAL  23          HG11      VAL  23   6.535   9.827  -5.856
  161   HG12  VAL  23          HG12      VAL  23   6.626  10.496  -4.226
  162   HG13  VAL  23          HG13      VAL  23   7.231   8.871  -4.547
  163   HG21  VAL  23          HG21      VAL  23   4.001  10.300  -5.812
  164   HG22  VAL  23          HG22      VAL  23   3.053   9.650  -4.475
  165   HG23  VAL  23          HG23      VAL  23   4.212  10.948  -4.185
  166    H    GLU  24           HN       GLU  24   2.769   7.829  -6.750
  167    HA   GLU  24           HA       GLU  24   4.273   8.452  -9.201
  168    HB2  GLU  24           HB2      GLU  24   3.749   5.996  -8.961
  169    HB3  GLU  24           HB3      GLU  24   2.050   6.430  -9.022
  170    HG2  GLU  24           HG2      GLU  24   2.356   7.353 -11.254
  171    HG3  GLU  24           HG3      GLU  24   4.062   6.896 -11.195
  172    H    GLY  25           HN       GLY  25   3.533  10.370  -9.813
  173    HA2  GLY  25           HA1      GLY  25   2.043  11.977 -10.533
  174    HA3  GLY  25           HA2      GLY  25   0.767  10.776 -10.414
  175    H    GLU  26           HN       GLU  26  -0.593  10.807  -8.713
  176    HA   GLU  26           HA       GLU  26  -0.001  12.774  -6.601
  177    HB2  GLU  26           HB2      GLU  26  -2.440  13.052  -6.338
  178    HB3  GLU  26           HB3      GLU  26  -1.875  13.513  -7.938
  179    HG2  GLU  26           HG2      GLU  26  -3.144  11.990  -8.939
  180    HG3  GLU  26           HG3      GLU  26  -2.673  10.729  -7.802
  181    H    ARG  27           HN       ARG  27  -0.131   9.507  -7.124
  182    HA   ARG  27           HA       ARG  27  -0.988   9.033  -4.354
  183    HE   ARG  27           HE       ARG  27  -4.102   9.155  -5.046
  184    HB2  ARG  27           HB2      ARG  27  -2.766   8.508  -6.175
  185    HB3  ARG  27           HB3      ARG  27  -1.767   7.099  -6.507
  186    HG2  ARG  27           HG2      ARG  27  -3.583   6.547  -4.983
  187    HG3  ARG  27           HG3      ARG  27  -2.015   6.356  -4.184
  188    HD2  ARG  27           HD2      ARG  27  -3.790   7.522  -2.822
  189    HD3  ARG  27           HD3      ARG  27  -2.274   8.409  -3.009
  190   HH11  ARG  27          HH12      ARG  27  -3.535   9.628  -1.621
  191   HH12  ARG  27          HH11      ARG  27  -4.290  11.191  -1.591
  192   HH21  ARG  27          HH22      ARG  27  -5.079  11.203  -5.006
  193   HH22  ARG  27          HH21      ARG  27  -5.178  12.072  -3.497
  194    H    LEU  28           HN       LEU  28  -0.139   7.220  -3.353
  195    HA   LEU  28           HA       LEU  28   2.421   6.341  -4.320
  196    HG   LEU  28           HG       LEU  28   3.659   4.936  -2.651
  197    HB2  LEU  28           HB2      LEU  28   1.993   6.880  -1.947
  198    HB3  LEU  28           HB3      LEU  28   0.846   5.561  -1.861
  199   HD11  LEU  28          HD11      LEU  28   2.749   5.444   0.179
  200   HD12  LEU  28          HD12      LEU  28   4.295   4.746  -0.301
  201   HD13  LEU  28          HD13      LEU  28   3.909   6.414  -0.727
  202   HD21  LEU  28          HD21      LEU  28   3.170   2.875  -1.433
  203   HD22  LEU  28          HD22      LEU  28   1.591   3.512  -0.975
  204   HD23  LEU  28          HD23      LEU  28   1.952   3.186  -2.670
  205    H    ARG  29           HN       ARG  29   2.858   4.487  -5.325
  206    HA   ARG  29           HA       ARG  29   0.683   2.564  -5.743
  207    HE   ARG  29           HE       ARG  29   0.629   4.819 -10.132
  208    HB2  ARG  29           HB2      ARG  29   3.150   3.288  -7.242
  209    HB3  ARG  29           HB3      ARG  29   2.614   1.620  -7.333
  210    HG2  ARG  29           HG2      ARG  29   1.811   2.966  -9.206
  211    HG3  ARG  29           HG3      ARG  29   0.486   2.317  -8.240
  212    HD2  ARG  29           HD2      ARG  29   0.033   4.401  -7.268
  213    HD3  ARG  29           HD3      ARG  29   1.579   5.070  -7.786
  214   HH11  ARG  29          HH12      ARG  29  -1.365   5.345  -7.320
  215   HH12  ARG  29          HH11      ARG  29  -2.646   6.122  -8.195
  216   HH21  ARG  29          HH22      ARG  29  -1.044   5.848 -11.311
  217   HH22  ARG  29          HH21      ARG  29  -2.464   6.401 -10.479
  218    H    PHE  30           HN       PHE  30   0.874   0.454  -5.158
  219    HA   PHE  30           HA       PHE  30   3.182  -0.256  -3.461
  220    HD1  PHE  30           HD2      PHE  30   2.723  -2.984  -2.377
  221    HD2  PHE  30           HD1      PHE  30   1.122   0.303  -0.203
  222    HE1  PHE  30           HE2      PHE  30   3.697  -3.879  -0.315
  223    HE2  PHE  30           HE1      PHE  30   2.095  -0.587   1.866
  224    HZ   PHE  30           HZ       PHE  30   3.385  -2.684   1.816
  225    HB2  PHE  30           HB2      PHE  30   0.784   0.243  -2.454
  226    HB3  PHE  30           HB3      PHE  30   0.452  -1.390  -3.022
  227    H    GLN  31           HN       GLN  31   4.180  -2.085  -4.044
  228    HA   GLN  31           HA       GLN  31   2.731  -3.967  -5.791
  229    HB2  GLN  31           HB2      GLN  31   4.562  -2.703  -6.960
  230    HB3  GLN  31           HB3      GLN  31   5.706  -3.447  -5.848
  231    HG2  GLN  31           HG2      GLN  31   5.731  -4.694  -7.872
  232    HG3  GLN  31           HG3      GLN  31   4.932  -5.673  -6.641
  233   HE21  GLN  31          HE21      GLN  31   3.672  -6.900  -7.938
  234   HE22  GLN  31          HE22      GLN  31   2.417  -6.267  -8.943
  235    H    ALA  32           HN       ALA  32   2.404  -5.862  -4.820
  236    HA   ALA  32           HA       ALA  32   4.503  -7.066  -3.222
  237    HB1  ALA  32           HB1      ALA  32   1.808  -6.464  -2.008
  238    HB2  ALA  32           HB2      ALA  32   3.089  -7.419  -1.265
  239    HB3  ALA  32           HB3      ALA  32   3.337  -5.702  -1.571
  240    HA   PRO  33           HA       PRO  33   2.727 -10.645  -5.247
  241    HB2  PRO  33           HB2      PRO  33   4.387 -12.037  -3.218
  242    HB3  PRO  33           HB3      PRO  33   4.367 -12.221  -4.976
  243    HG2  PRO  33           HG2      PRO  33   6.376 -10.966  -3.757
  244    HG3  PRO  33           HG3      PRO  33   5.750 -10.390  -5.314
  245    HD2  PRO  33           HD2      PRO  33   5.262  -9.324  -2.564
  246    HD3  PRO  33           HD3      PRO  33   5.535  -8.442  -4.077
  247    HA   PRO  34           HA       PRO  34  -0.493 -11.778  -2.472
  248    HB2  PRO  34           HB2      PRO  34  -1.081 -14.289  -3.379
  249    HB3  PRO  34           HB3      PRO  34  -1.583 -12.804  -4.192
  250    HG2  PRO  34           HG2      PRO  34   0.676 -14.643  -4.828
  251    HG3  PRO  34           HG3      PRO  34  -0.405 -13.764  -5.924
  252    HD2  PRO  34           HD2      PRO  34   2.139 -12.959  -5.363
  253    HD3  PRO  34           HD3      PRO  34   0.838 -11.839  -5.802
  254    H    GLY  35           HN       GLY  35  -0.196 -12.261  -0.405
  255    HA2  GLY  35           HA1      GLY  35  -0.151 -14.093   1.202
  256    HA3  GLY  35           HA2      GLY  35   1.146 -14.795   0.251
  257    H    VAL  36           HN       VAL  36   2.557 -12.232  -0.088
  258    HA   VAL  36           HA       VAL  36   4.079 -12.433   2.353
  259    HB   VAL  36           HB       VAL  36   5.627 -10.848   1.337
  260   HG11  VAL  36          HG11      VAL  36   5.690 -13.278   0.809
  261   HG12  VAL  36          HG12      VAL  36   4.765 -12.942  -0.653
  262   HG13  VAL  36          HG13      VAL  36   6.383 -12.261  -0.457
  263   HG21  VAL  36          HG21      VAL  36   3.671 -10.732  -0.947
  264   HG22  VAL  36          HG22      VAL  36   4.035  -9.425   0.183
  265   HG23  VAL  36          HG23      VAL  36   5.281 -10.013  -0.917
  266    H    MET  37           HN       MET  37   1.486 -10.560   1.404
  267    HA   MET  37           HA       MET  37   2.303  -8.072   2.606
  268    HB2  MET  37           HB2      MET  37   0.803  -8.317   0.563
  269    HB3  MET  37           HB3      MET  37  -0.469  -8.821   1.665
  270    HG2  MET  37           HG2      MET  37  -0.976  -6.629   1.515
  271    HG3  MET  37           HG3      MET  37   0.159  -6.547   2.857
  272    HE1  MET  37           HE1      MET  37   3.399  -5.165   1.065
  273    HE2  MET  37           HE2      MET  37   2.711  -5.726   2.589
  274    HE3  MET  37           HE3      MET  37   3.041  -6.881   1.290
  275    H    THR  38           HN       THR  38   2.026 -10.565   4.254
  276    HA   THR  38           HA       THR  38  -0.226 -10.648   5.851
  277    HB   THR  38           HB       THR  38   1.396 -11.481   7.658
  278    HG1  THR  38           HG1      THR  38   3.140 -10.350   6.030
  279   HG21  THR  38          HG21      THR  38   1.806 -13.585   6.477
  280   HG22  THR  38          HG22      THR  38   1.446 -12.798   4.942
  281   HG23  THR  38          HG23      THR  38   0.180 -12.983   6.155
  282    HA   PRO  39           HA       PRO  39  -0.576  -6.836   8.029
  283    HB2  PRO  39           HB2      PRO  39  -1.061  -8.628  10.371
  284    HB3  PRO  39           HB3      PRO  39  -1.988  -7.228   9.815
  285    HG2  PRO  39           HG2      PRO  39  -2.858  -9.687   9.320
  286    HG3  PRO  39           HG3      PRO  39  -2.999  -8.416   8.092
  287    HD2  PRO  39           HD2      PRO  39  -1.112 -10.715   8.233
  288    HD3  PRO  39           HD3      PRO  39  -1.828  -9.925   6.814
  289    H    GLU  40           HN       GLU  40   1.249  -9.424   9.674
  290    HA   GLU  40           HA       GLU  40   2.656  -7.727  11.430
  291    HB2  GLU  40           HB2      GLU  40   2.535 -10.185  11.703
  292    HB3  GLU  40           HB3      GLU  40   3.571 -10.375  10.294
  293    HG2  GLU  40           HG2      GLU  40   5.345  -9.129  11.463
  294    HG3  GLU  40           HG3      GLU  40   4.310  -9.029  12.885
  295    H    LEU  41           HN       LEU  41   3.373  -8.827   8.134
  296    HA   LEU  41           HA       LEU  41   5.980  -7.758   7.987
  297    HG   LEU  41           HG       LEU  41   6.512  -6.923   5.640
  298    HB2  LEU  41           HB2      LEU  41   5.117  -9.365   6.336
  299    HB3  LEU  41           HB3      LEU  41   4.015  -8.138   5.731
  300   HD11  LEU  41          HD11      LEU  41   7.630  -9.030   5.990
  301   HD12  LEU  41          HD12      LEU  41   6.722  -9.763   4.667
  302   HD13  LEU  41          HD13      LEU  41   7.886  -8.479   4.333
  303   HD21  LEU  41          HD21      LEU  41   4.907  -8.265   3.475
  304   HD22  LEU  41          HD22      LEU  41   4.758  -6.596   4.028
  305   HD23  LEU  41          HD23      LEU  41   6.222  -7.124   3.195
  306    H    GLN  42           HN       GLN  42   2.806  -6.406   7.296
  307    HA   GLN  42           HA       GLN  42   3.693  -3.970   6.181
  308    HB2  GLN  42           HB2      GLN  42   1.175  -4.279   7.792
  309    HB3  GLN  42           HB3      GLN  42   1.480  -3.183   6.451
  310    HG2  GLN  42           HG2      GLN  42   1.839  -5.441   5.158
  311    HG3  GLN  42           HG3      GLN  42   0.810  -6.051   6.454
  312   HE21  GLN  42          HE21      GLN  42   1.025  -3.850   3.775
  313   HE22  GLN  42          HE22      GLN  42  -0.659  -3.569   3.599
  314    H    SER  43           HN       SER  43   2.979  -5.011   9.436
  315    HA   SER  43           HA       SER  43   3.240  -2.490  10.632
  316    HG   SER  43           HG       SER  43   2.627  -3.968  13.697
  317    HB2  SER  43           HB2      SER  43   2.129  -4.553  11.607
  318    HB3  SER  43           HB3      SER  43   3.745  -5.155  11.963
  319    H    ARG  44           HN       ARG  44   5.499  -4.986   9.714
  320    HA   ARG  44           HA       ARG  44   7.773  -3.822  11.016
  321    HE   ARG  44           HE       ARG  44   7.167  -9.365  10.810
  322    HB2  ARG  44           HB2      ARG  44   7.707  -5.721   8.664
  323    HB3  ARG  44           HB3      ARG  44   9.108  -5.349   9.656
  324    HG2  ARG  44           HG2      ARG  44   7.872  -6.307  11.609
  325    HG3  ARG  44           HG3      ARG  44   6.630  -6.843  10.469
  326    HD2  ARG  44           HD2      ARG  44   8.426  -8.040   9.209
  327    HD3  ARG  44           HD3      ARG  44   9.540  -7.635  10.511
  328   HH11  ARG  44          HH12      ARG  44  10.380  -8.365  11.814
  329   HH12  ARG  44          HH11      ARG  44  10.599  -9.719  12.878
  330   HH21  ARG  44          HH22      ARG  44   7.451 -11.139  12.205
  331   HH22  ARG  44          HH21      ARG  44   8.948 -11.316  13.083
  332    H    LEU  45           HN       LEU  45   6.347  -3.679   7.780
  333    HA   LEU  45           HA       LEU  45   8.255  -2.112   6.488
  334    HG   LEU  45           HG       LEU  45   6.330  -4.252   5.515
  335    HB2  LEU  45           HB2      LEU  45   5.231  -2.115   6.198
  336    HB3  LEU  45           HB3      LEU  45   6.308  -1.254   5.116
  337   HD11  LEU  45          HD11      LEU  45   5.148  -2.588   3.296
  338   HD12  LEU  45          HD12      LEU  45   5.310  -4.348   3.279
  339   HD13  LEU  45          HD13      LEU  45   4.255  -3.564   4.458
  340   HD21  LEU  45          HD21      LEU  45   7.685  -4.265   3.483
  341   HD22  LEU  45          HD22      LEU  45   7.686  -2.502   3.470
  342   HD23  LEU  45          HD23      LEU  45   8.481  -3.373   4.783
  343    H    GLY  46           HN       GLY  46   5.451  -1.125   8.432
  344    HA2  GLY  46           HA1      GLY  46   5.465   0.475  10.114
  345    HA3  GLY  46           HA2      GLY  46   7.079   0.951   9.612
  346    H    GLY  47           HN       GLY  47   5.992   1.194   6.792
  347    HA2  GLY  47           HA1      GLY  47   5.184   2.880   5.455
  348    HA3  GLY  47           HA2      GLY  47   4.145   3.353   6.796
  349    H    ALA  48           HN       ALA  48   7.577   3.144   7.266
  350    HA   ALA  48           HA       ALA  48   7.640   5.969   7.891
  351    HB1  ALA  48           HB1      ALA  48   9.875   5.520   8.742
  352    HB2  ALA  48           HB2      ALA  48   8.715   4.354   9.379
  353    HB3  ALA  48           HB3      ALA  48   9.811   3.888   8.076
  354    H    ARG  49           HN       ARG  49   9.092   7.464   6.951
  355    HA   ARG  49           HA       ARG  49   9.158   7.275   4.136
  356    HE   ARG  49           HE       ARG  49  11.699  11.072   8.285
  357    HB2  ARG  49           HB2      ARG  49  10.416   9.429   4.275
  358    HB3  ARG  49           HB3      ARG  49   8.892   9.413   5.152
  359    HG2  ARG  49           HG2      ARG  49  10.169   8.967   7.242
  360    HG3  ARG  49           HG3      ARG  49  11.657   9.178   6.309
  361    HD2  ARG  49           HD2      ARG  49  11.191  11.419   5.851
  362    HD3  ARG  49           HD3      ARG  49   9.506  11.238   6.315
  363   HH11  ARG  49          HH12      ARG  49   8.584  12.287   7.237
  364   HH12  ARG  49          HH11      ARG  49   8.299  13.176   8.708
  365   HH21  ARG  49          HH22      ARG  49  11.328  12.244  10.221
  366   HH22  ARG  49          HH21      ARG  49   9.870  13.176  10.391
  367    H    HIS  50           HN       HIS  50  11.804   7.312   6.521
  368    HA   HIS  50           HA       HIS  50  13.887   7.133   4.705
  369    HD1  HIS  50           HD1      HIS  50  13.664   4.074   7.840
  370    HD2  HIS  50           HD2      HIS  50  12.931   7.996   9.034
  371    HE1  HIS  50           HE1      HIS  50  12.248   3.910   9.900
  372    HE2  HIS  50           HE2      HIS  50  11.728   6.282  10.558
  373    HB2  HIS  50           HB2      HIS  50  15.154   6.004   6.667
  374    HB3  HIS  50           HB3      HIS  50  14.567   7.648   6.889
  375    H    GLU  51           HN       GLU  51  11.936   4.662   6.211
  376    HA   GLU  51           HA       GLU  51  13.304   2.385   5.320
  377    HB2  GLU  51           HB2      GLU  51  10.855   2.978   6.674
  378    HB3  GLU  51           HB3      GLU  51  10.522   1.834   5.379
  379    HG2  GLU  51           HG2      GLU  51  10.992   0.573   7.301
  380    HG3  GLU  51           HG3      GLU  51  12.396   0.457   6.234
  381    H    LEU  52           HN       LEU  52  10.454   4.040   4.044
  382    HA   LEU  52           HA       LEU  52  10.214   2.232   1.888
  383    HG   LEU  52           HG       LEU  52   8.247   3.335   4.025
  384    HB2  LEU  52           HB2      LEU  52   8.935   4.933   2.291
  385    HB3  LEU  52           HB3      LEU  52   8.474   3.785   1.048
  386   HD11  LEU  52          HD11      LEU  52   6.643   4.962   3.198
  387   HD12  LEU  52          HD12      LEU  52   6.142   3.841   1.930
  388   HD13  LEU  52          HD13      LEU  52   5.842   3.448   3.623
  389   HD21  LEU  52          HD21      LEU  52   8.700   1.262   2.820
  390   HD22  LEU  52          HD22      LEU  52   7.040   1.299   3.418
  391   HD23  LEU  52          HD23      LEU  52   7.370   1.608   1.711
  392    H    ILE  53           HN       ILE  53  11.881   5.281   2.262
  393    HA   ILE  53           HA       ILE  53  12.283   5.867  -0.460
  394    HB   ILE  53           HB       ILE  53  13.996   6.467   1.953
  395   HG12  ILE  53          HG12      ILE  53  12.233   8.230   0.232
  396   HG13  ILE  53          HG13      ILE  53  11.788   7.584   1.809
  397   HG21  ILE  53          HG21      ILE  53  15.244   8.034   0.529
  398   HG22  ILE  53          HG22      ILE  53  15.451   6.362   0.010
  399   HG23  ILE  53          HG23      ILE  53  14.369   7.436  -0.878
  400   HD11  ILE  53          HD11      ILE  53  13.602   8.854   2.836
  401   HD12  ILE  53          HD12      ILE  53  14.045   9.497   1.254
  402   HD13  ILE  53          HD13      ILE  53  12.482   9.905   1.965
  403    H    ALA  54           HN       ALA  54  14.353   4.047   1.818
  404    HA   ALA  54           HA       ALA  54  16.166   3.174  -0.197
  405    HB1  ALA  54           HB1      ALA  54  16.791   3.227   2.163
  406    HB2  ALA  54           HB2      ALA  54  15.597   1.975   2.513
  407    HB3  ALA  54           HB3      ALA  54  16.987   1.605   1.494
  408    H    LEU  55           HN       LEU  55  13.146   2.012   1.036
  409    HA   LEU  55           HA       LEU  55  13.279  -0.641   0.038
  410    HG   LEU  55           HG       LEU  55   9.907  -1.173   1.532
  411    HB2  LEU  55           HB2      LEU  55  11.796   0.153   1.884
  412    HB3  LEU  55           HB3      LEU  55  10.853   1.038   0.706
  413   HD11  LEU  55          HD11      LEU  55   8.980  -0.069  -0.389
  414   HD12  LEU  55          HD12      LEU  55  10.268  -0.701  -1.418
  415   HD13  LEU  55          HD13      LEU  55   9.082  -1.801  -0.712
  416   HD21  LEU  55          HD21      LEU  55  10.720  -3.191   0.399
  417   HD22  LEU  55          HD22      LEU  55  12.049  -2.261  -0.294
  418   HD23  LEU  55          HD23      LEU  55  11.948  -2.490   1.453
  419    H    LEU  56           HN       LEU  56  12.283   2.429  -1.299
  420    HA   LEU  56           HA       LEU  56  11.298   1.246  -3.723
  421    HG   LEU  56           HG       LEU  56  12.708   4.301  -4.602
  422    HB2  LEU  56           HB2      LEU  56  10.206   3.165  -3.406
  423    HB3  LEU  56           HB3      LEU  56  11.507   3.867  -2.472
  424   HD11  LEU  56          HD11      LEU  56  11.392   4.324  -6.686
  425   HD12  LEU  56          HD12      LEU  56  11.566   2.693  -6.036
  426   HD13  LEU  56          HD13      LEU  56  10.046   3.566  -5.830
  427   HD21  LEU  56          HD21      LEU  56  11.554   6.321  -5.047
  428   HD22  LEU  56          HD22      LEU  56  10.019   5.645  -4.500
  429   HD23  LEU  56          HD23      LEU  56  11.307   5.966  -3.339
  430    H    ARG  57           HN       ARG  57  14.276   2.640  -2.519
  431    HA   ARG  57           HA       ARG  57  15.601   3.028  -4.953
  432    HE   ARG  57           HE       ARG  57  17.080   6.936  -2.700
  433    HB2  ARG  57           HB2      ARG  57  16.535   2.543  -2.146
  434    HB3  ARG  57           HB3      ARG  57  17.696   2.669  -3.465
  435    HG2  ARG  57           HG2      ARG  57  16.850   4.890  -4.010
  436    HG3  ARG  57           HG3      ARG  57  15.664   4.763  -2.712
  437    HD2  ARG  57           HD2      ARG  57  17.415   4.698  -1.056
  438    HD3  ARG  57           HD3      ARG  57  18.650   4.643  -2.315
  439   HH11  ARG  57          HH12      ARG  57  19.347   5.691  -0.332
  440   HH12  ARG  57          HH11      ARG  57  19.993   7.264   0.034
  441   HH21  ARG  57          HH22      ARG  57  17.920   8.975  -2.196
  442   HH22  ARG  57          HH21      ARG  57  19.192   9.119  -1.022
  443    H    GLN  58           HN       GLN  58  14.917   0.126  -3.201
  444    HA   GLN  58           HA       GLN  58  16.780  -1.578  -4.499
  445    HB2  GLN  58           HB2      GLN  58  15.476  -3.384  -3.615
  446    HB3  GLN  58           HB3      GLN  58  15.475  -2.089  -2.424
  447    HG2  GLN  58           HG2      GLN  58  13.305  -2.349  -2.330
  448    HG3  GLN  58           HG3      GLN  58  13.258  -1.524  -3.881
  449   HE21  GLN  58          HE21      GLN  58  11.419  -3.411  -2.768
  450   HE22  GLN  58          HE22      GLN  58  11.358  -4.764  -3.849
  451    H    LEU  59           HN       LEU  59  13.824  -0.132  -5.522
  452    HA   LEU  59           HA       LEU  59  13.224  -1.964  -7.643
  453    HG   LEU  59           HG       LEU  59  11.359  -1.127  -9.163
  454    HB2  LEU  59           HB2      LEU  59  11.512  -0.535  -6.582
  455    HB3  LEU  59           HB3      LEU  59  12.328   0.891  -7.182
  456   HD11  LEU  59          HD11      LEU  59   9.613   0.934  -7.814
  457   HD12  LEU  59          HD12      LEU  59   9.162  -0.075  -9.190
  458   HD13  LEU  59          HD13      LEU  59   9.478  -0.815  -7.620
  459   HD21  LEU  59          HD21      LEU  59  11.001   0.885 -10.507
  460   HD22  LEU  59          HD22      LEU  59  11.513   1.889  -9.151
  461   HD23  LEU  59          HD23      LEU  59  12.663   0.799  -9.924
  462    H    GLN  60           HN       GLN  60  15.242   0.799  -7.191
  463    HA   GLN  60           HA       GLN  60  15.671   1.459  -9.913
  464    HB2  GLN  60           HB2      GLN  60  17.374   1.962  -7.461
  465    HB3  GLN  60           HB3      GLN  60  17.675   2.657  -9.049
  466    HG2  GLN  60           HG2      GLN  60  15.620   3.879  -8.977
  467    HG3  GLN  60           HG3      GLN  60  15.138   3.066  -7.492
  468   HE21  GLN  60          HE21      GLN  60  18.416   4.156  -8.027
  469   HE22  GLN  60          HE22      GLN  60  18.377   5.436  -6.874
  470    HA   PRO  61           HA       PRO  61  18.364  -1.773 -11.242
  471    HB2  PRO  61           HB2      PRO  61  19.852   0.275 -12.764
  472    HB3  PRO  61           HB3      PRO  61  18.989  -1.151 -13.344
  473    HG2  PRO  61           HG2      PRO  61  18.018   1.318 -13.719
  474    HG3  PRO  61           HG3      PRO  61  16.954  -0.064 -13.398
  475    HD2  PRO  61           HD2      PRO  61  17.854   2.107 -11.544
  476    HD3  PRO  61           HD3      PRO  61  16.260   1.337 -11.690
  477    H    SER  62           HN       SER  62  19.307  -1.932  -9.089
  478    HA   SER  62           HA       SER  62  22.150  -1.218  -9.190
  479    HG   SER  62           HG       SER  62  22.832  -1.490  -6.589
  480    HB2  SER  62           HB2      SER  62  20.955   0.348  -7.645
  481    HB3  SER  62           HB3      SER  62  20.444  -1.043  -6.688
  482    H    SER  63           HN       SER  63  19.936  -2.973  -7.008
  483    HA   SER  63           HA       SER  63  21.277  -5.471  -7.681
  484    HG   SER  63           HG       SER  63  22.353  -6.439  -4.526
  485    HB2  SER  63           HB2      SER  63  22.426  -4.512  -5.659
  486    HB3  SER  63           HB3      SER  63  20.883  -4.591  -4.809
  487    H    GLN  64           HN       GLN  64  19.923  -7.247  -7.544
  488    HA   GLN  64           HA       GLN  64  17.145  -6.669  -6.742
  489    HB2  GLN  64           HB2      GLN  64  18.079  -8.367  -9.066
  490    HB3  GLN  64           HB3      GLN  64  16.407  -8.194  -8.551
  491    HG2  GLN  64           HG2      GLN  64  18.138  -5.923  -9.509
  492    HG3  GLN  64           HG3      GLN  64  17.016  -6.823 -10.525
  493   HE21  GLN  64          HE21      GLN  64  17.319  -4.549  -7.906
  494   HE22  GLN  64          HE22      GLN  64  15.684  -3.994  -7.933
  495    H    GLY  65           HN       GLY  65  15.934  -8.447  -5.953
  496    HA2  GLY  65           HA1      GLY  65  17.471 -10.847  -5.244
  497    HA3  GLY  65           HA2      GLY  65  16.656  -9.945  -3.969
  498    H    GLY  66           HN       GLY  66  16.095 -12.643  -4.546
  499    HA2  GLY  66           HA1      GLY  66  13.249 -12.403  -4.956
  500    HA3  GLY  66           HA2      GLY  66  14.071 -13.272  -6.244
  501    H    SER  67           HN       SER  67  12.577 -13.557  -3.262
  502    HA   SER  67           HA       SER  67  13.920 -16.061  -2.583
  503    HG   SER  67           HG       SER  67  14.343 -14.751  -0.415
  504    HB2  SER  67           HB2      SER  67  11.614 -14.666  -1.198
  505    HB3  SER  67           HB3      SER  67  12.523 -16.043  -0.575
  506    H    LEU  68           HN       LEU  68  11.570 -15.119  -4.660
  507    HA   LEU  68           HA       LEU  68  10.002 -16.173  -5.896
  508    HG   LEU  68           HG       LEU  68  11.739 -19.272  -6.899
  509    HB2  LEU  68           HB2      LEU  68  11.215 -18.582  -4.576
  510    HB3  LEU  68           HB3      LEU  68   9.804 -18.735  -5.601
  511   HD11  LEU  68          HD11      LEU  68  11.608 -17.577  -8.683
  512   HD12  LEU  68          HD12      LEU  68  10.025 -18.084  -8.090
  513   HD13  LEU  68          HD13      LEU  68  10.700 -16.535  -7.587
  514   HD21  LEU  68          HD21      LEU  68  13.575 -17.703  -7.258
  515   HD22  LEU  68          HD22      LEU  68  12.843 -16.581  -6.111
  516   HD23  LEU  68          HD23      LEU  68  13.431 -18.148  -5.557
  517    H    LEU  69           HN       LEU  69   9.728 -18.329  -3.088
  518    HA   LEU  69           HA       LEU  69   7.502 -16.964  -1.973
  519    HG   LEU  69           HG       LEU  69   7.893 -19.790  -4.308
  520    HB2  LEU  69           HB2      LEU  69   5.795 -18.708  -2.462
  521    HB3  LEU  69           HB3      LEU  69   6.280 -17.774  -3.862
  522   HD11  LEU  69          HD11      LEU  69   5.764 -21.096  -2.620
  523   HD12  LEU  69          HD12      LEU  69   6.989 -21.930  -3.578
  524   HD13  LEU  69          HD13      LEU  69   7.469 -20.943  -2.195
  525   HD21  LEU  69          HD21      LEU  69   6.127 -20.876  -5.620
  526   HD22  LEU  69          HD22      LEU  69   4.915 -19.937  -4.747
  527   HD23  LEU  69          HD23      LEU  69   6.089 -19.120  -5.779
  528    H    ALA  70           HN       ALA  70   6.520 -18.212  -0.184
  529    HA   ALA  70           HA       ALA  70   8.276 -20.349   0.812
  530    HB1  ALA  70           HB1      ALA  70   8.966 -18.252   1.880
  531    HB2  ALA  70           HB2      ALA  70   7.315 -17.995   2.443
  532    HB3  ALA  70           HB3      ALA  70   8.249 -19.365   3.046
  533    HA   PRO  71           HA       PRO  71   4.203 -22.112   1.375
  534    HB2  PRO  71           HB2      PRO  71   5.539 -24.476   2.388
  535    HB3  PRO  71           HB3      PRO  71   4.701 -24.253   0.853
  536    HG2  PRO  71           HG2      PRO  71   7.396 -24.597   1.044
  537    HG3  PRO  71           HG3      PRO  71   6.619 -23.687  -0.263
  538    HD2  PRO  71           HD2      PRO  71   7.972 -22.666   2.210
  539    HD3  PRO  71           HD3      PRO  71   8.054 -22.051   0.543
  540    H    VAL  72           HN       VAL  72   5.349 -20.470   3.517
  541    HA   VAL  72           HA       VAL  72   5.123 -21.966   5.949
  542    HB   VAL  72           HB       VAL  72   6.626 -20.096   5.951
  543   HG11  VAL  72          HG11      VAL  72   5.621 -18.702   4.252
  544   HG12  VAL  72          HG12      VAL  72   4.251 -18.355   5.306
  545   HG13  VAL  72          HG13      VAL  72   5.859 -17.768   5.728
  546   HG21  VAL  72          HG21      VAL  72   4.218 -19.492   7.663
  547   HG22  VAL  72          HG22      VAL  72   5.537 -20.593   8.066
  548   HG23  VAL  72          HG23      VAL  72   5.846 -18.863   7.920
  549    H    ALA  73           HN       ALA  73   3.131 -22.909   5.873
  550    HA   ALA  73           HA       ALA  73   0.767 -21.219   5.739
  551    HB1  ALA  73           HB1      ALA  73  -0.490 -23.308   5.680
  552    HB2  ALA  73           HB2      ALA  73   0.779 -23.302   4.455
  553    HB3  ALA  73           HB3      ALA  73   0.996 -24.220   5.945
  554    H    ARG  74           HN       ARG  74  -1.022 -21.909   7.365
  555    HA   ARG  74           HA       ARG  74   0.006 -21.448   9.998
  556    HE   ARG  74           HE       ARG  74  -5.122 -21.531   6.879
  557    HB2  ARG  74           HB2      ARG  74  -2.465 -21.692  10.635
  558    HB3  ARG  74           HB3      ARG  74  -2.021 -20.352   9.590
  559    HG2  ARG  74           HG2      ARG  74  -2.780 -21.634   7.642
  560    HG3  ARG  74           HG3      ARG  74  -3.260 -22.951   8.714
  561    HD2  ARG  74           HD2      ARG  74  -4.865 -21.520   9.814
  562    HD3  ARG  74           HD3      ARG  74  -4.330 -20.138   8.856
  563   HH11  ARG  74          HH12      ARG  74  -6.536 -21.731  10.082
  564   HH12  ARG  74          HH11      ARG  74  -8.111 -22.171   9.497
  565   HH21  ARG  74          HH22      ARG  74  -7.185 -22.112   6.101
  566   HH22  ARG  74          HH21      ARG  74  -8.488 -22.389   7.222
  567    H    ASN  75           HN       ASN  75   1.313 -23.298  10.166
  568    HA   ASN  75           HA       ASN  75   0.079 -25.915  10.365
  569    HB2  ASN  75           HB2      ASN  75   2.261 -25.753   9.312
  570    HB3  ASN  75           HB3      ASN  75   2.924 -24.941  10.723
  571   HD21  ASN  75          HD21      ASN  75   4.504 -26.402  11.125
  572   HD22  ASN  75          HD22      ASN  75   4.194 -28.020  11.661
  573    H    GLY  76           HN       GLY  76   1.866 -23.675  12.452
  574    HA2  GLY  76           HA1      GLY  76   1.469 -23.262  14.720
  575    HA3  GLY  76           HA2      GLY  76   0.381 -24.643  14.761
  576    H    ARG  77           HN       ARG  77   2.260 -24.183  16.755
  577    HA   ARG  77           HA       ARG  77   4.501 -25.971  16.176
  578    HE   ARG  77           HE       ARG  77   6.062 -24.671  20.003
  579    HB2  ARG  77           HB2      ARG  77   5.399 -25.227  18.344
  580    HB3  ARG  77           HB3      ARG  77   5.052 -23.873  17.278
  581    HG2  ARG  77           HG2      ARG  77   3.001 -23.420  18.498
  582    HG3  ARG  77           HG3      ARG  77   3.304 -24.809  19.543
  583    HD2  ARG  77           HD2      ARG  77   5.040 -22.357  19.293
  584    HD3  ARG  77           HD3      ARG  77   3.966 -22.739  20.640
  585   HH11  ARG  77          HH12      ARG  77   4.934 -22.085  22.074
  586   HH12  ARG  77          HH11      ARG  77   6.025 -22.474  23.366
  587   HH21  ARG  77          HH22      ARG  77   7.500 -25.175  21.666
  588   HH22  ARG  77          HH21      ARG  77   7.514 -24.225  23.130
  589    H    LEU  78           HN       LEU  78   1.870 -27.056  16.332
  590    HA   LEU  78           HA       LEU  78   1.622 -28.438  18.845
  591    HG   LEU  78           HG       LEU  78  -0.045 -30.789  17.821
  592    HB2  LEU  78           HB2      LEU  78  -0.343 -27.806  17.472
  593    HB3  LEU  78           HB3      LEU  78   0.204 -28.901  16.217
  594   HD11  LEU  78          HD11      LEU  78   0.175 -29.543  19.898
  595   HD12  LEU  78          HD12      LEU  78  -1.336 -28.697  19.565
  596   HD13  LEU  78          HD13      LEU  78  -1.344 -30.436  19.858
  597   HD21  LEU  78          HD21      LEU  78  -2.482 -30.866  17.714
  598   HD22  LEU  78          HD22      LEU  78  -2.524 -29.142  17.339
  599   HD23  LEU  78          HD23      LEU  78  -1.792 -30.275  16.203
  600    H1   GLY   1           H1       GLY   1 -23.777  11.671 -13.300
  601    H2   GLY   1           H2       GLY   1 -24.517  12.064 -11.825
  602    H3   GLY   1           H3       GLY   1 -23.937  10.493 -12.087
  603    HA2  GLY   1           HA2      GLY   1 -21.663  11.376 -12.260
  604    HA3  GLY   1           HA1      GLY   1 -22.304  12.961 -11.856
  605    HA   PRO   2           HA       PRO   2 -21.742  12.381  -7.561
  606    HB2  PRO   2           HB2      PRO   2 -24.278  12.960  -6.565
  607    HB3  PRO   2           HB3      PRO   2 -23.014  14.141  -6.918
  608    HG2  PRO   2           HG2      PRO   2 -25.363  13.322  -8.568
  609    HG3  PRO   2           HG3      PRO   2 -24.640  14.929  -8.360
  610    HD2  PRO   2           HD2      PRO   2 -24.212  13.494 -10.575
  611    HD3  PRO   2           HD3      PRO   2 -22.921  14.484  -9.861
  612    H    LEU   3           HN       LEU   3 -21.561  10.604  -6.451
  613    HA   LEU   3           HA       LEU   3 -21.812   8.491  -5.714
  614    HG   LEU   3           HG       LEU   3 -24.360   9.225  -3.130
  615    HB2  LEU   3           HB2      LEU   3 -24.661   9.435  -5.577
  616    HB3  LEU   3           HB3      LEU   3 -24.201   7.825  -5.064
  617   HD11  LEU   3          HD11      LEU   3 -22.574   7.578  -3.123
  618   HD12  LEU   3          HD12      LEU   3 -21.463   8.761  -3.811
  619   HD13  LEU   3          HD13      LEU   3 -22.123   9.006  -2.194
  620   HD21  LEU   3          HD21      LEU   3 -24.109  11.404  -4.169
  621   HD22  LEU   3          HD22      LEU   3 -22.982  11.228  -2.825
  622   HD23  LEU   3          HD23      LEU   3 -22.403  11.079  -4.484
  623    H    GLY   4           HN       GLY   4 -24.985   8.003  -7.016
  624    HA2  GLY   4           HA1      GLY   4 -25.743   6.560  -8.641
  625    HA3  GLY   4           HA2      GLY   4 -24.267   6.925  -9.529
  626    H    SER   5           HN       SER   5 -22.669   5.432  -9.595
  627    HA   SER   5           HA       SER   5 -23.017   3.026  -7.941
  628    HG   SER   5           HG       SER   5 -23.540   1.591 -10.581
  629    HB2  SER   5           HB2      SER   5 -21.498   3.345 -10.543
  630    HB3  SER   5           HB3      SER   5 -21.694   1.842  -9.641
  631    H    SER   6           HN       SER   6 -20.521   5.130  -9.352
  632    HA   SER   6           HA       SER   6 -18.505   5.840  -8.612
  633    HG   SER   6           HG       SER   6 -20.704   6.720  -7.244
  634    HB2  SER   6           HB2      SER   6 -19.572   5.054  -5.887
  635    HB3  SER   6           HB3      SER   6 -18.162   6.071  -6.184
  636    H    ALA   7           HN       ALA   7 -18.638   3.243  -9.619
  637    HA   ALA   7           HA       ALA   7 -17.512   1.275  -9.771
  638    HB1  ALA   7           HB1      ALA   7 -15.231   1.180  -8.883
  639    HB2  ALA   7           HB2      ALA   7 -15.533   2.709  -9.708
  640    HB3  ALA   7           HB3      ALA   7 -15.530   2.643  -7.945
  641    H    GLY   8           HN       GLY   8 -19.599   1.255  -8.079
  642    HA2  GLY   8           HA1      GLY   8 -19.214   0.654  -5.404
  643    HA3  GLY   8           HA2      GLY   8 -20.592   0.138  -6.360
  644    H    ALA   9           HN       ALA   9 -19.221  -1.556  -8.180
  645    HA   ALA   9           HA       ALA   9 -19.145  -3.931  -6.647
  646    HB1  ALA   9           HB1      ALA   9 -18.108  -3.489  -9.440
  647    HB2  ALA   9           HB2      ALA   9 -18.484  -5.042  -8.693
  648    HB3  ALA   9           HB3      ALA   9 -19.774  -3.885  -9.018
  649    H    LEU  10           HN       LEU  10 -16.587  -1.982  -8.135
  650    HA   LEU  10           HA       LEU  10 -14.416  -3.593  -7.358
  651    HG   LEU  10           HG       LEU  10 -12.518  -1.092  -6.634
  652    HB2  LEU  10           HB2      LEU  10 -14.169  -1.877  -9.038
  653    HB3  LEU  10           HB3      LEU  10 -14.597  -0.628  -7.886
  654   HD11  LEU  10          HD11      LEU  10 -10.779  -2.477  -7.666
  655   HD12  LEU  10          HD12      LEU  10 -12.202  -3.422  -7.226
  656   HD13  LEU  10          HD13      LEU  10 -11.925  -2.978  -8.912
  657   HD21  LEU  10          HD21      LEU  10 -12.570   0.673  -8.316
  658   HD22  LEU  10          HD22      LEU  10 -10.988  -0.104  -8.265
  659   HD23  LEU  10          HD23      LEU  10 -12.118  -0.488  -9.563
  660    H    LEU  11           HN       LEU  11 -15.917  -0.786  -5.802
  661    HA   LEU  11           HA       LEU  11 -14.245  -0.704  -3.547
  662    HG   LEU  11           HG       LEU  11 -15.788   1.339  -5.375
  663    HB2  LEU  11           HB2      LEU  11 -17.152   0.077  -3.751
  664    HB3  LEU  11           HB3      LEU  11 -16.056   0.558  -2.472
  665   HD11  LEU  11          HD11      LEU  11 -16.693   2.930  -2.980
  666   HD12  LEU  11          HD12      LEU  11 -16.441   3.562  -4.607
  667   HD13  LEU  11          HD13      LEU  11 -17.714   2.380  -4.309
  668   HD21  LEU  11          HD21      LEU  11 -14.061   2.862  -4.584
  669   HD22  LEU  11          HD22      LEU  11 -14.250   2.241  -2.944
  670   HD23  LEU  11          HD23      LEU  11 -13.636   1.189  -4.219
  671    H    ALA  12           HN       ALA  12 -17.380  -2.296  -4.047
  672    HA   ALA  12           HA       ALA  12 -17.784  -3.191  -1.449
  673    HB1  ALA  12           HB1      ALA  12 -18.694  -4.549  -3.978
  674    HB2  ALA  12           HB2      ALA  12 -19.402  -4.723  -2.372
  675    HB3  ALA  12           HB3      ALA  12 -19.498  -3.176  -3.216
  676    H    HIS  13           HN       HIS  13 -16.323  -5.015  -4.176
  677    HA   HIS  13           HA       HIS  13 -15.959  -7.302  -2.520
  678    HD1  HIS  13           HD1      HIS  13 -12.677  -8.369  -5.045
  679    HD2  HIS  13           HD2      HIS  13 -14.820  -5.097  -6.448
  680    HE1  HIS  13           HE1      HIS  13 -11.160  -7.219  -6.684
  681    HE2  HIS  13           HE2      HIS  13 -12.621  -5.462  -7.753
  682    HB2  HIS  13           HB2      HIS  13 -15.080  -8.414  -4.359
  683    HB3  HIS  13           HB3      HIS  13 -16.171  -7.253  -5.090
  684    H    ALA  14           HN       ALA  14 -13.990  -4.514  -3.236
  685    HA   ALA  14           HA       ALA  14 -11.567  -5.638  -2.184
  686    HB1  ALA  14           HB1      ALA  14 -11.545  -3.762  -3.768
  687    HB2  ALA  14           HB2      ALA  14 -12.318  -2.741  -2.556
  688    HB3  ALA  14           HB3      ALA  14 -10.696  -3.372  -2.272
  689    H    ALA  15           HN       ALA  15 -14.146  -3.570  -0.941
  690    HA   ALA  15           HA       ALA  15 -13.067  -3.156   1.640
  691    HB1  ALA  15           HB1      ALA  15 -14.846  -1.755   0.712
  692    HB2  ALA  15           HB2      ALA  15 -15.953  -3.127   0.753
  693    HB3  ALA  15           HB3      ALA  15 -15.327  -2.452   2.258
  694    H    SER  16           HN       SER  16 -15.166  -5.636   0.277
  695    HA   SER  16           HA       SER  16 -15.803  -6.907   2.722
  696    HG   SER  16           HG       SER  16 -16.518  -9.736   1.292
  697    HB2  SER  16           HB2      SER  16 -16.995  -7.139   0.472
  698    HB3  SER  16           HB3      SER  16 -15.708  -8.254   0.021
  699    H    LEU  17           HN       LEU  17 -13.060  -7.085   0.583
  700    HA   LEU  17           HA       LEU  17 -11.973  -9.455   1.820
  701    HG   LEU  17           HG       LEU  17 -12.424  -8.840  -1.169
  702    HB2  LEU  17           HB2      LEU  17 -10.743  -7.434  -0.056
  703    HB3  LEU  17           HB3      LEU  17  -9.920  -8.872   0.517
  704   HD11  LEU  17          HD11      LEU  17  -9.569  -9.518  -1.858
  705   HD12  LEU  17          HD12      LEU  17 -10.960  -9.733  -2.923
  706   HD13  LEU  17          HD13      LEU  17 -10.476  -8.112  -2.418
  707   HD21  LEU  17          HD21      LEU  17 -10.713 -11.140  -0.225
  708   HD22  LEU  17          HD22      LEU  17 -12.343 -10.765   0.334
  709   HD23  LEU  17          HD23      LEU  17 -12.074 -11.256  -1.339
  710    H    GLY  18           HN       GLY  18 -11.879  -6.033   2.329
  711    HA2  GLY  18           HA1      GLY  18 -11.288  -5.169   4.481
  712    HA3  GLY  18           HA2      GLY  18 -10.149  -6.494   4.661
  713    H    VAL  19           HN       VAL  19 -10.109  -5.021   1.585
  714    HA   VAL  19           HA       VAL  19  -7.448  -4.042   1.996
  715    HB   VAL  19           HB       VAL  19  -9.274  -3.590  -0.375
  716   HG11  VAL  19          HG11      VAL  19  -7.190  -3.172  -1.609
  717   HG12  VAL  19          HG12      VAL  19  -7.437  -2.002  -0.313
  718   HG13  VAL  19          HG13      VAL  19  -6.281  -3.317  -0.104
  719   HG21  VAL  19          HG21      VAL  19  -8.952  -5.962  -0.007
  720   HG22  VAL  19          HG22      VAL  19  -8.032  -5.448  -1.420
  721   HG23  VAL  19          HG23      VAL  19  -7.208  -5.735   0.113
  722    H    ARG  20           HN       ARG  20  -6.992  -2.192   2.981
  723    HA   ARG  20           HA       ARG  20  -8.791   0.096   2.573
  724    HE   ARG  20           HE       ARG  20 -12.132  -0.931   5.752
  725    HB2  ARG  20           HB2      ARG  20  -7.660  -0.893   5.189
  726    HB3  ARG  20           HB3      ARG  20  -8.343   0.716   4.984
  727    HG2  ARG  20           HG2      ARG  20 -10.484  -0.254   4.359
  728    HG3  ARG  20           HG3      ARG  20  -9.809  -1.875   4.520
  729    HD2  ARG  20           HD2      ARG  20  -9.608  -1.666   6.859
  730    HD3  ARG  20           HD3      ARG  20  -9.821   0.087   6.799
  731   HH11  ARG  20          HH12      ARG  20 -10.429  -1.415   8.789
  732   HH12  ARG  20          HH11      ARG  20 -11.899  -1.610   9.705
  733   HH21  ARG  20          HH22      ARG  20 -14.018  -1.218   6.927
  734   HH22  ARG  20          HH21      ARG  20 -13.946  -1.538   8.635
  735    H    LEU  21           HN       LEU  21  -7.847   1.999   2.191
  736    HA   LEU  21           HA       LEU  21  -4.965   2.299   2.705
  737    HG   LEU  21           HG       LEU  21  -4.141   1.306   0.626
  738    HB2  LEU  21           HB2      LEU  21  -6.490   3.126   0.234
  739    HB3  LEU  21           HB3      LEU  21  -4.920   3.779   0.642
  740   HD11  LEU  21          HD11      LEU  21  -6.651   1.106  -1.032
  741   HD12  LEU  21          HD12      LEU  21  -5.391  -0.122  -0.908
  742   HD13  LEU  21          HD13      LEU  21  -6.356   0.300   0.508
  743   HD21  LEU  21          HD21      LEU  21  -3.692   1.470  -1.773
  744   HD22  LEU  21          HD22      LEU  21  -4.888   2.762  -1.908
  745   HD23  LEU  21          HD23      LEU  21  -3.424   3.008  -0.954
  746    H    TRP  22           HN       TRP  22  -4.405   4.183   3.680
  747    HA   TRP  22           HA       TRP  22  -6.094   6.508   3.409
  748    HD1  TRP  22           HD1      TRP  22  -4.710   6.950   7.663
  749    HE1  TRP  22           HE1      TRP  22  -3.662   5.179   9.214
  750    HE3  TRP  22           HE3      TRP  22  -6.346   2.727   5.278
  751    HZ2  TRP  22           HZ2      TRP  22  -3.549   2.362   9.391
  752    HZ3  TRP  22           HZ3      TRP  22  -5.722   0.534   6.206
  753    HH2  TRP  22           HH2      TRP  22  -4.351   0.358   8.220
  754    HB2  TRP  22           HB2      TRP  22  -6.488   6.872   5.768
  755    HB3  TRP  22           HB3      TRP  22  -7.136   5.304   5.314
  756    H    VAL  23           HN       VAL  23  -5.053   8.446   3.992
  757    HA   VAL  23           HA       VAL  23  -2.157   8.201   4.049
  758    HB   VAL  23           HB       VAL  23  -3.110   9.790   2.461
  759   HG11  VAL  23          HG11      VAL  23  -4.222  11.220   4.872
  760   HG12  VAL  23          HG12      VAL  23  -4.214  11.856   3.227
  761   HG13  VAL  23          HG13      VAL  23  -5.145  10.408   3.610
  762   HG21  VAL  23          HG21      VAL  23  -1.625  11.181   4.688
  763   HG22  VAL  23          HG22      VAL  23  -0.899  10.254   3.374
  764   HG23  VAL  23          HG23      VAL  23  -1.763  11.750   3.024
  765    H    GLU  24           HN       GLU  24  -0.909   8.618   5.782
  766    HA   GLU  24           HA       GLU  24  -2.216   9.641   8.205
  767    HB2  GLU  24           HB2      GLU  24  -2.257   7.156   8.176
  768    HB3  GLU  24           HB3      GLU  24  -0.504   7.153   8.064
  769    HG2  GLU  24           HG2      GLU  24  -0.331   8.190  10.237
  770    HG3  GLU  24           HG3      GLU  24  -2.089   8.303  10.342
  771    H    GLY  25           HN       GLY  25  -1.085  11.337   8.858
  772    HA2  GLY  25           HA1      GLY  25   0.682  12.717   9.353
  773    HA3  GLY  25           HA2      GLY  25   1.713  11.294   9.301
  774    H    GLU  26           HN       GLU  26   3.006  10.974   7.584
  775    HA   GLU  26           HA       GLU  26   2.766  12.910   5.381
  776    HB2  GLU  26           HB2      GLU  26   5.224  12.735   5.143
  777    HB3  GLU  26           HB3      GLU  26   4.737  13.377   6.706
  778    HG2  GLU  26           HG2      GLU  26   5.911  11.810   7.726
  779    HG3  GLU  26           HG3      GLU  26   4.951  10.560   6.941
  780    H    ARG  27           HN       ARG  27   2.175   9.774   6.026
  781    HA   ARG  27           HA       ARG  27   3.050   8.912   3.368
  782    HE   ARG  27           HE       ARG  27   6.147   8.800   4.087
  783    HB2  ARG  27           HB2      ARG  27   4.676   8.341   5.348
  784    HB3  ARG  27           HB3      ARG  27   3.500   7.081   5.688
  785    HG2  ARG  27           HG2      ARG  27   5.401   6.314   4.332
  786    HG3  ARG  27           HG3      ARG  27   3.844   6.100   3.522
  787    HD2  ARG  27           HD2      ARG  27   5.611   6.970   2.026
  788    HD3  ARG  27           HD3      ARG  27   4.234   8.060   2.174
  789   HH11  ARG  27          HH12      ARG  27   5.732   8.796   0.607
  790   HH12  ARG  27          HH11      ARG  27   6.776  10.160   0.350
  791   HH21  ARG  27          HH22      ARG  27   7.476  10.583   3.777
  792   HH22  ARG  27          HH21      ARG  27   7.786  11.181   2.168
  793    H    LEU  28           HN       LEU  28   1.829   7.278   2.456
  794    HA   LEU  28           HA       LEU  28  -0.828   6.950   3.506
  795    HG   LEU  28           HG       LEU  28  -2.359   5.721   1.943
  796    HB2  LEU  28           HB2      LEU  28  -0.359   7.272   1.098
  797    HB3  LEU  28           HB3      LEU  28   0.491   5.744   1.066
  798   HD11  LEU  28          HD11      LEU  28  -1.484   5.956  -0.935
  799   HD12  LEU  28          HD12      LEU  28  -3.122   5.622  -0.371
  800   HD13  LEU  28          HD13      LEU  28  -2.370   7.180  -0.025
  801   HD21  LEU  28          HD21      LEU  28  -2.330   3.580   0.753
  802   HD22  LEU  28          HD22      LEU  28  -0.671   3.887   0.239
  803   HD23  LEU  28          HD23      LEU  28  -1.037   3.664   1.949
  804    H    ARG  29           HN       ARG  29  -1.679   5.229   4.505
  805    HA   ARG  29           HA       ARG  29   0.082   2.947   5.077
  806    HE   ARG  29           HE       ARG  29   0.680   5.130   9.434
  807    HB2  ARG  29           HB2      ARG  29  -2.208   4.214   6.495
  808    HB3  ARG  29           HB3      ARG  29  -2.028   2.476   6.655
  809    HG2  ARG  29           HG2      ARG  29  -0.976   3.623   8.501
  810    HG3  ARG  29           HG3      ARG  29   0.230   2.786   7.525
  811    HD2  ARG  29           HD2      ARG  29   0.925   4.827   6.508
  812    HD3  ARG  29           HD3      ARG  29  -0.419   5.710   7.232
  813   HH11  ARG  29          HH12      ARG  29   2.471   5.538   6.460
  814   HH12  ARG  29          HH11      ARG  29   3.963   5.935   7.252
  815   HH21  ARG  29          HH22      ARG  29   2.620   5.657  10.495
  816   HH22  ARG  29          HH21      ARG  29   4.040   6.027   9.567
  817    H    PHE  30           HN       PHE  30  -0.440   0.912   4.475
  818    HA   PHE  30           HA       PHE  30  -2.903   0.575   2.891
  819    HD1  PHE  30           HD2      PHE  30  -2.814  -2.425   1.907
  820    HD2  PHE  30           HD1      PHE  30  -1.087   0.728  -0.375
  821    HE1  PHE  30           HE2      PHE  30  -4.039  -3.197  -0.083
  822    HE2  PHE  30           HE1      PHE  30  -2.307  -0.039  -2.368
  823    HZ   PHE  30           HZ       PHE  30  -3.783  -2.005  -2.225
  824    HB2  PHE  30           HB2      PHE  30  -0.484   0.502   1.806
  825    HB3  PHE  30           HB3      PHE  30  -0.484  -1.133   2.455
  826    H    GLN  31           HN       GLN  31  -4.233  -1.019   3.544
  827    HA   GLN  31           HA       GLN  31  -3.177  -3.050   5.404
  828    HB2  GLN  31           HB2      GLN  31  -4.582  -1.338   6.544
  829    HB3  GLN  31           HB3      GLN  31  -5.913  -1.758   5.481
  830    HG2  GLN  31           HG2      GLN  31  -6.211  -2.788   7.632
  831    HG3  GLN  31           HG3      GLN  31  -5.923  -4.027   6.411
  832   HE21  GLN  31          HE21      GLN  31  -4.117  -5.295   6.553
  833   HE22  GLN  31          HE22      GLN  31  -3.022  -5.249   7.885
  834    H    ALA  32           HN       ALA  32  -3.221  -4.955   4.399
  835    HA   ALA  32           HA       ALA  32  -5.658  -5.786   3.038
  836    HB1  ALA  32           HB1      ALA  32  -2.980  -5.845   1.650
  837    HB2  ALA  32           HB2      ALA  32  -4.495  -6.495   1.023
  838    HB3  ALA  32           HB3      ALA  32  -4.316  -4.757   1.265
  839    HA   PRO  33           HA       PRO  33  -4.555  -9.572   5.167
  840    HB2  PRO  33           HB2      PRO  33  -6.533 -10.715   3.276
  841    HB3  PRO  33           HB3      PRO  33  -6.488 -10.793   5.041
  842    HG2  PRO  33           HG2      PRO  33  -8.250  -9.238   3.799
  843    HG3  PRO  33           HG3      PRO  33  -7.450  -8.699   5.289
  844    HD2  PRO  33           HD2      PRO  33  -6.865  -7.943   2.446
  845    HD3  PRO  33           HD3      PRO  33  -6.917  -6.917   3.896
  846    HA   PRO  34           HA       PRO  34  -1.684 -11.434   2.405
  847    HB2  PRO  34           HB2      PRO  34  -1.541 -13.951   3.462
  848    HB3  PRO  34           HB3      PRO  34  -0.745 -12.541   4.168
  849    HG2  PRO  34           HG2      PRO  34  -3.310 -13.859   4.949
  850    HG3  PRO  34           HG3      PRO  34  -2.033 -13.185   5.980
  851    HD2  PRO  34           HD2      PRO  34  -4.347 -11.871   5.473
  852    HD3  PRO  34           HD3      PRO  34  -2.807 -11.031   5.746
  853    H    GLY  35           HN       GLY  35  -2.130 -11.987   0.384
  854    HA2  GLY  35           HA1      GLY  35  -2.527 -13.909  -1.069
  855    HA3  GLY  35           HA2      GLY  35  -3.915 -14.289  -0.063
  856    H    VAL  36           HN       VAL  36  -4.809 -11.481   0.085
  857    HA   VAL  36           HA       VAL  36  -6.296 -11.540  -2.399
  858    HB   VAL  36           HB       VAL  36  -7.666  -9.762  -1.473
  859   HG11  VAL  36          HG11      VAL  36  -8.136 -12.064  -0.789
  860   HG12  VAL  36          HG12      VAL  36  -7.077 -11.863   0.606
  861   HG13  VAL  36          HG13      VAL  36  -8.556 -10.912   0.479
  862   HG21  VAL  36          HG21      VAL  36  -5.705  -9.723   0.819
  863   HG22  VAL  36          HG22      VAL  36  -5.940  -8.445  -0.373
  864   HG23  VAL  36          HG23      VAL  36  -7.230  -8.841   0.765
  865    H    MET  37           HN       MET  37  -3.415 -10.203  -1.490
  866    HA   MET  37           HA       MET  37  -3.705  -7.618  -2.737
  867    HB2  MET  37           HB2      MET  37  -2.267  -8.106  -0.708
  868    HB3  MET  37           HB3      MET  37  -1.148  -8.914  -1.791
  869    HG2  MET  37           HG2      MET  37  -0.218  -6.820  -1.588
  870    HG3  MET  37           HG3      MET  37  -1.148  -6.666  -3.075
  871    HE1  MET  37           HE1      MET  37  -4.243  -4.552  -1.895
  872    HE2  MET  37           HE2      MET  37  -3.381  -5.199  -3.294
  873    HE3  MET  37           HE3      MET  37  -4.126  -6.296  -2.131
  874    H    THR  38           HN       THR  38  -3.944 -10.211  -4.288
  875    HA   THR  38           HA       THR  38  -1.814 -10.708  -5.966
  876    HB   THR  38           HB       THR  38  -3.610 -11.305  -7.692
  877    HG1  THR  38           HG1      THR  38  -5.235  -9.897  -6.874
  878   HG21  THR  38          HG21      THR  38  -4.332 -13.276  -6.432
  879   HG22  THR  38          HG22      THR  38  -3.801 -12.517  -4.930
  880   HG23  THR  38          HG23      THR  38  -2.619 -12.949  -6.166
  881    HA   PRO  39           HA       PRO  39  -0.839  -7.086  -8.230
  882    HB2  PRO  39           HB2      PRO  39  -0.730  -8.963 -10.556
  883    HB3  PRO  39           HB3      PRO  39   0.452  -7.759 -10.026
  884    HG2  PRO  39           HG2      PRO  39   0.852 -10.326  -9.515
  885    HG3  PRO  39           HG3      PRO  39   1.231  -9.098  -8.291
  886    HD2  PRO  39           HD2      PRO  39  -1.067 -10.996  -8.428
  887    HD3  PRO  39           HD3      PRO  39  -0.192 -10.381  -7.011
  888    H    GLU  40           HN       GLU  40  -3.099  -9.300  -9.898
  889    HA   GLU  40           HA       GLU  40  -4.209  -7.443 -11.651
  890    HB2  GLU  40           HB2      GLU  40  -4.631  -9.868 -11.790
  891    HB3  GLU  40           HB3      GLU  40  -5.621  -9.773 -10.340
  892    HG2  GLU  40           HG2      GLU  40  -7.163  -8.263 -11.502
  893    HG3  GLU  40           HG3      GLU  40  -6.182  -8.403 -12.960
  894    H    LEU  41           HN       LEU  41  -5.057  -8.150  -8.285
  895    HA   LEU  41           HA       LEU  41  -7.391  -6.553  -8.191
  896    HG   LEU  41           HG       LEU  41  -7.586  -5.482  -5.785
  897    HB2  LEU  41           HB2      LEU  41  -6.838  -8.242  -6.466
  898    HB3  LEU  41           HB3      LEU  41  -5.500  -7.237  -5.935
  899   HD11  LEU  41          HD11      LEU  41  -9.228  -7.178  -6.304
  900   HD12  LEU  41          HD12      LEU  41  -8.643  -8.181  -4.976
  901   HD13  LEU  41          HD13      LEU  41  -9.410  -6.628  -4.639
  902   HD21  LEU  41          HD21      LEU  41  -6.576  -7.334  -3.636
  903   HD22  LEU  41          HD22      LEU  41  -5.878  -5.783  -4.101
  904   HD23  LEU  41          HD23      LEU  41  -7.479  -5.844  -3.365
  905    H    GLN  42           HN       GLN  42  -3.989  -5.914  -7.507
  906    HA   GLN  42           HA       GLN  42  -4.327  -3.297  -6.514
  907    HB2  GLN  42           HB2      GLN  42  -1.889  -4.289  -7.994
  908    HB3  GLN  42           HB3      GLN  42  -1.967  -3.041  -6.758
  909    HG2  GLN  42           HG2      GLN  42  -2.749  -4.875  -5.179
  910    HG3  GLN  42           HG3      GLN  42  -2.227  -6.009  -6.427
  911   HE21  GLN  42          HE21      GLN  42  -1.248  -3.748  -4.022
  912   HE22  GLN  42          HE22      GLN  42   0.439  -4.099  -4.068
  913    H    SER  43           HN       SER  43  -3.866  -4.597  -9.746
  914    HA   SER  43           HA       SER  43  -3.656  -2.112 -11.078
  915    HG   SER  43           HG       SER  43  -3.149  -2.783 -13.556
  916    HB2  SER  43           HB2      SER  43  -2.989  -4.344 -12.034
  917    HB3  SER  43           HB3      SER  43  -4.702  -4.719 -12.211
  918    H    ARG  44           HN       ARG  44  -6.381  -4.181 -10.187
  919    HA   ARG  44           HA       ARG  44  -8.379  -2.680 -11.514
  920    HE   ARG  44           HE       ARG  44  -8.922  -8.178 -10.989
  921    HB2  ARG  44           HB2      ARG  44  -8.629  -4.408  -9.046
  922    HB3  ARG  44           HB3      ARG  44  -9.976  -3.792  -9.991
  923    HG2  ARG  44           HG2      ARG  44  -9.088  -5.059 -11.948
  924    HG3  ARG  44           HG3      ARG  44  -7.897  -5.782 -10.863
  925    HD2  ARG  44           HD2      ARG  44  -9.807  -6.550  -9.435
  926    HD3  ARG  44           HD3      ARG  44 -10.895  -6.006 -10.708
  927   HH11  ARG  44          HH12      ARG  44 -11.848  -6.559 -12.002
  928   HH12  ARG  44          HH11      ARG  44 -12.407  -7.886 -12.975
  929   HH21  ARG  44          HH22      ARG  44  -9.616  -9.929 -12.278
  930   HH22  ARG  44          HH21      ARG  44 -11.116  -9.803 -13.159
  931    H    LEU  45           HN       LEU  45  -7.018  -2.520  -8.251
  932    HA   LEU  45           HA       LEU  45  -8.637  -0.514  -7.179
  933    HG   LEU  45           HG       LEU  45  -7.099  -2.931  -6.084
  934    HB2  LEU  45           HB2      LEU  45  -5.680  -0.986  -6.751
  935    HB3  LEU  45           HB3      LEU  45  -6.683   0.040  -5.743
  936   HD11  LEU  45          HD11      LEU  45  -5.753  -1.401  -3.865
  937   HD12  LEU  45          HD12      LEU  45  -6.165  -3.115  -3.818
  938   HD13  LEU  45          HD13      LEU  45  -4.982  -2.522  -4.984
  939   HD21  LEU  45          HD21      LEU  45  -8.532  -2.678  -4.104
  940   HD22  LEU  45          HD22      LEU  45  -8.289  -0.933  -4.163
  941   HD23  LEU  45          HD23      LEU  45  -9.132  -1.752  -5.480
  942    H    GLY  46           HN       GLY  46  -5.636  -0.261  -9.050
  943    HA2  GLY  46           HA1      GLY  46  -5.246   1.213 -10.801
  944    HA3  GLY  46           HA2      GLY  46  -6.718   2.068 -10.376
  945    H    GLY  47           HN       GLY  47  -5.683   2.179  -7.526
  946    HA2  GLY  47           HA1      GLY  47  -4.535   3.687  -6.222
  947    HA3  GLY  47           HA2      GLY  47  -3.400   3.881  -7.552
  948    H    ALA  48           HN       ALA  48  -6.814   4.395  -7.973
  949    HA   ALA  48           HA       ALA  48  -6.313   7.145  -8.750
  950    HB1  ALA  48           HB1      ALA  48  -8.642   7.110  -9.519
  951    HB2  ALA  48           HB2      ALA  48  -7.724   5.750 -10.167
  952    HB3  ALA  48           HB3      ALA  48  -8.842   5.501  -8.825
  953    H    ARG  49           HN       ARG  49  -7.416   8.940  -7.870
  954    HA   ARG  49           HA       ARG  49  -7.508   8.892  -5.050
  955    HE   ARG  49           HE       ARG  49  -9.497  13.141  -9.173
  956    HB2  ARG  49           HB2      ARG  49  -8.376  11.234  -5.267
  957    HB3  ARG  49           HB3      ARG  49  -6.860  10.924  -6.098
  958    HG2  ARG  49           HG2      ARG  49  -8.130  10.687  -8.218
  959    HG3  ARG  49           HG3      ARG  49  -9.592  11.147  -7.344
  960    HD2  ARG  49           HD2      ARG  49  -8.711  13.305  -6.852
  961    HD3  ARG  49           HD3      ARG  49  -7.114  12.850  -7.445
  962   HH11  ARG  49          HH12      ARG  49  -6.043  13.391  -8.600
  963   HH12  ARG  49          HH11      ARG  49  -5.714  14.059 -10.180
  964   HH21  ARG  49          HH22      ARG  49  -9.060  14.033 -11.222
  965   HH22  ARG  49          HH21      ARG  49  -7.428  14.427 -11.660
  966    H    HIS  50           HN       HIS  50 -10.117   9.206  -7.455
  967    HA   HIS  50           HA       HIS  50 -12.199   9.488  -5.633
  968    HD1  HIS  50           HD1      HIS  50 -12.631   6.471  -8.987
  969    HD2  HIS  50           HD2      HIS  50 -10.915  10.199  -9.711
  970    HE1  HIS  50           HE1      HIS  50 -11.337   6.230 -11.129
  971    HE2  HIS  50           HE2      HIS  50 -10.139   8.426 -11.427
  972    HB2  HIS  50           HB2      HIS  50 -13.614   8.428  -7.568
  973    HB3  HIS  50           HB3      HIS  50 -12.891  10.016  -7.765
  974    H    GLU  51           HN       GLU  51 -10.807   6.537  -7.001
  975    HA   GLU  51           HA       GLU  51 -12.596   4.734  -5.798
  976    HB2  GLU  51           HB2      GLU  51  -9.941   4.564  -7.075
  977    HB3  GLU  51           HB3      GLU  51 -10.302   3.285  -5.924
  978    HG2  GLU  51           HG2      GLU  51 -10.920   2.541  -8.100
  979    HG3  GLU  51           HG3      GLU  51 -12.394   2.826  -7.177
  980    H    LEU  52           HN       LEU  52  -9.376   5.848  -4.756
  981    HA   LEU  52           HA       LEU  52  -9.383   4.240  -2.427
  982    HG   LEU  52           HG       LEU  52  -7.278   4.833  -4.696
  983    HB2  LEU  52           HB2      LEU  52  -7.681   6.630  -3.109
  984    HB3  LEU  52           HB3      LEU  52  -7.394   5.543  -1.764
  985   HD11  LEU  52          HD11      LEU  52  -5.356   6.089  -3.894
  986   HD12  LEU  52          HD12      LEU  52  -5.141   4.937  -2.577
  987   HD13  LEU  52          HD13      LEU  52  -4.924   4.417  -4.248
  988   HD21  LEU  52          HD21      LEU  52  -8.216   2.989  -3.391
  989   HD22  LEU  52          HD22      LEU  52  -6.593   2.608  -3.970
  990   HD23  LEU  52          HD23      LEU  52  -6.845   3.072  -2.285
  991    H    ILE  53           HN       ILE  53 -10.519   7.496  -3.037
  992    HA   ILE  53           HA       ILE  53 -10.746   8.298  -0.337
  993    HB   ILE  53           HB       ILE  53 -12.335   9.121  -2.770
  994   HG12  ILE  53          HG12      ILE  53 -10.219  10.559  -1.154
  995   HG13  ILE  53          HG13      ILE  53  -9.946   9.766  -2.702
  996   HG21  ILE  53          HG21      ILE  53 -13.197  10.991  -1.416
  997   HG22  ILE  53          HG22      ILE  53 -13.755   9.427  -0.823
  998   HG23  ILE  53          HG23      ILE  53 -12.456  10.276   0.014
  999   HD11  ILE  53          HD11      ILE  53 -11.483  11.334  -3.771
 1000   HD12  ILE  53          HD12      ILE  53 -11.748  12.127  -2.217
 1001   HD13  ILE  53          HD13      ILE  53 -10.153  12.168  -2.967
 1002    H    ALA  54           HN       ALA  54 -13.112   6.755  -2.525
 1003    HA   ALA  54           HA       ALA  54 -15.066   6.377  -0.485
 1004    HB1  ALA  54           HB1      ALA  54 -15.670   6.385  -2.847
 1005    HB2  ALA  54           HB2      ALA  54 -14.717   4.924  -3.108
 1006    HB3  ALA  54           HB3      ALA  54 -16.153   4.869  -2.086
 1007    H    LEU  55           HN       LEU  55 -12.425   4.452  -1.739
 1008    HA   LEU  55           HA       LEU  55 -12.940   2.042  -0.389
 1009    HG   LEU  55           HG       LEU  55  -9.846   0.752  -1.915
 1010    HB2  LEU  55           HB2      LEU  55 -11.342   2.480  -2.307
 1011    HB3  LEU  55           HB3      LEU  55 -10.237   3.162  -1.136
 1012   HD11  LEU  55          HD11      LEU  55  -8.639   1.717  -0.064
 1013   HD12  LEU  55          HD12      LEU  55  -9.988   1.387   1.023
 1014   HD13  LEU  55          HD13      LEU  55  -9.082   0.051   0.311
 1015   HD21  LEU  55          HD21      LEU  55 -11.064  -0.973  -0.699
 1016   HD22  LEU  55          HD22      LEU  55 -12.094   0.257   0.032
 1017   HD23  LEU  55          HD23      LEU  55 -12.151  -0.021  -1.709
 1018    H    LEU  56           HN       LEU  56 -11.416   5.028   0.626
 1019    HA   LEU  56           HA       LEU  56 -10.592   3.991   3.176
 1020    HG   LEU  56           HG       LEU  56 -11.241   7.056   4.378
 1021    HB2  LEU  56           HB2      LEU  56  -9.354   5.824   2.370
 1022    HB3  LEU  56           HB3      LEU  56 -10.796   6.740   1.983
 1023   HD11  LEU  56          HD11      LEU  56  -9.551   6.469   6.034
 1024   HD12  LEU  56          HD12      LEU  56 -10.203   5.032   5.245
 1025   HD13  LEU  56          HD13      LEU  56  -8.612   5.644   4.790
 1026   HD21  LEU  56          HD21      LEU  56 -10.069   8.810   3.342
 1027   HD22  LEU  56          HD22      LEU  56  -9.210   8.484   4.844
 1028   HD23  LEU  56          HD23      LEU  56  -8.563   7.894   3.314
 1029    H    ARG  57           HN       ARG  57 -13.443   5.523   1.861
 1030    HA   ARG  57           HA       ARG  57 -14.566   6.323   4.333
 1031    HE   ARG  57           HE       ARG  57 -15.335  10.390   1.976
 1032    HB2  ARG  57           HB2      ARG  57 -15.724   5.948   1.586
 1033    HB3  ARG  57           HB3      ARG  57 -16.734   6.386   2.960
 1034    HG2  ARG  57           HG2      ARG  57 -15.394   8.381   3.333
 1035    HG3  ARG  57           HG3      ARG  57 -14.351   7.943   1.979
 1036    HD2  ARG  57           HD2      ARG  57 -16.181   8.184   0.430
 1037    HD3  ARG  57           HD3      ARG  57 -17.314   8.457   1.755
 1038   HH11  ARG  57          HH12      ARG  57 -17.790   9.490  -0.372
 1039   HH12  ARG  57          HH11      ARG  57 -18.032  11.127  -0.925
 1040   HH21  ARG  57          HH22      ARG  57 -15.687  12.532   1.267
 1041   HH22  ARG  57          HH21      ARG  57 -16.831  12.840  -0.004
 1042    H    GLN  58           HN       GLN  58 -14.454   3.249   2.734
 1043    HA   GLN  58           HA       GLN  58 -16.613   2.093   4.216
 1044    HB2  GLN  58           HB2      GLN  58 -15.756  -0.073   3.490
 1045    HB3  GLN  58           HB3      GLN  58 -15.841   1.053   2.146
 1046    HG2  GLN  58           HG2      GLN  58 -13.791   0.320   1.690
 1047    HG3  GLN  58           HG3      GLN  58 -13.293   1.428   2.962
 1048   HE21  GLN  58          HE21      GLN  58 -12.032  -1.004   2.014
 1049   HE22  GLN  58          HE22      GLN  58 -11.908  -2.056   3.379
 1050    H    LEU  59           HN       LEU  59 -13.411   2.957   5.016
 1051    HA   LEU  59           HA       LEU  59 -13.086   1.135   7.208
 1052    HG   LEU  59           HG       LEU  59 -11.082   1.700   8.672
 1053    HB2  LEU  59           HB2      LEU  59 -11.163   2.147   6.053
 1054    HB3  LEU  59           HB3      LEU  59 -11.680   3.738   6.567
 1055   HD11  LEU  59          HD11      LEU  59  -8.999   3.256   7.148
 1056   HD12  LEU  59          HD12      LEU  59  -8.720   2.328   8.622
 1057   HD13  LEU  59          HD13      LEU  59  -9.202   1.504   7.139
 1058   HD21  LEU  59          HD21      LEU  59 -10.310   3.680   9.881
 1059   HD22  LEU  59          HD22      LEU  59 -10.616   4.678   8.459
 1060   HD23  LEU  59          HD23      LEU  59 -11.961   3.903   9.299
 1061    H    GLN  60           HN       GLN  60 -14.588   4.188   6.663
 1062    HA   GLN  60           HA       GLN  60 -14.795   5.002   9.387
 1063    HB2  GLN  60           HB2      GLN  60 -16.493   5.804   7.012
 1064    HB3  GLN  60           HB3      GLN  60 -16.429   6.635   8.559
 1065    HG2  GLN  60           HG2      GLN  60 -14.061   7.159   8.159
 1066    HG3  GLN  60           HG3      GLN  60 -14.168   6.366   6.588
 1067   HE21  GLN  60          HE21      GLN  60 -16.925   7.366   6.216
 1068   HE22  GLN  60          HE22      GLN  60 -16.763   9.034   5.792
 1069    HA   PRO  61           HA       PRO  61 -18.119   2.452  10.802
 1070    HB2  PRO  61           HB2      PRO  61 -19.141   4.820  12.247
 1071    HB3  PRO  61           HB3      PRO  61 -18.608   3.259  12.877
 1072    HG2  PRO  61           HG2      PRO  61 -17.127   5.465  13.197
 1073    HG3  PRO  61           HG3      PRO  61 -16.381   3.881  12.913
 1074    HD2  PRO  61           HD2      PRO  61 -16.807   6.146  11.003
 1075    HD3  PRO  61           HD3      PRO  61 -15.408   5.066  11.178
 1076    H    SER  62           HN       SER  62 -19.232   2.239   8.834
 1077    HA   SER  62           HA       SER  62 -21.792   3.630   8.814
 1078    HG   SER  62           HG       SER  62 -22.191   3.634   5.679
 1079    HB2  SER  62           HB2      SER  62 -20.214   4.864   7.261
 1080    HB3  SER  62           HB3      SER  62 -20.119   3.394   6.296
 1081    H    SER  63           HN       SER  63 -19.966   1.450   6.667
 1082    HA   SER  63           HA       SER  63 -21.771  -0.740   7.349
 1083    HG   SER  63           HG       SER  63 -23.256  -1.662   5.085
 1084    HB2  SER  63           HB2      SER  63 -22.705   0.367   5.315
 1085    HB3  SER  63           HB3      SER  63 -21.182   0.069   4.485
 1086    H    GLN  64           HN       GLN  64 -20.764  -2.712   7.333
 1087    HA   GLN  64           HA       GLN  64 -17.928  -2.722   6.532
 1088    HB2  GLN  64           HB2      GLN  64 -19.193  -4.124   8.899
 1089    HB3  GLN  64           HB3      GLN  64 -17.515  -4.290   8.405
 1090    HG2  GLN  64           HG2      GLN  64 -18.781  -1.691   9.230
 1091    HG3  GLN  64           HG3      GLN  64 -17.883  -2.748  10.317
 1092   HE21  GLN  64          HE21      GLN  64 -17.675  -0.599   7.580
 1093   HE22  GLN  64          HE22      GLN  64 -15.967  -0.349   7.658
 1094    H    GLY  65           HN       GLY  65 -17.077  -4.822   5.908
 1095    HA2  GLY  65           HA1      GLY  65 -19.066  -6.855   5.243
 1096    HA3  GLY  65           HA2      GLY  65 -18.155  -6.148   3.914
 1097    H    GLY  66           HN       GLY  66 -18.118  -8.903   4.621
 1098    HA2  GLY  66           HA1      GLY  66 -15.268  -9.238   4.923
 1099    HA3  GLY  66           HA2      GLY  66 -16.205  -9.870   6.268
 1100    H    SER  67           HN       SER  67 -14.807 -10.637   3.382
 1101    HA   SER  67           HA       SER  67 -16.692 -12.800   2.793
 1102    HG   SER  67           HG       SER  67 -16.722 -11.726   0.129
 1103    HB2  SER  67           HB2      SER  67 -14.228 -11.874   1.295
 1104    HB3  SER  67           HB3      SER  67 -15.311 -13.161   0.769
 1105    H    LEU  68           HN       LEU  68 -14.112 -12.242   4.736
 1106    HA   LEU  68           HA       LEU  68 -12.812 -13.545   6.041
 1107    HG   LEU  68           HG       LEU  68 -15.134 -16.176   7.195
 1108    HB2  LEU  68           HB2      LEU  68 -14.517 -15.703   4.845
 1109    HB3  LEU  68           HB3      LEU  68 -13.146 -16.107   5.856
 1110   HD11  LEU  68          HD11      LEU  68 -14.595 -14.524   8.922
 1111   HD12  LEU  68          HD12      LEU  68 -13.157 -15.333   8.298
 1112   HD13  LEU  68          HD13      LEU  68 -13.540 -13.692   7.780
 1113   HD21  LEU  68          HD21      LEU  68 -16.589 -14.250   7.513
 1114   HD22  LEU  68          HD22      LEU  68 -15.640 -13.329   6.346
 1115   HD23  LEU  68          HD23      LEU  68 -16.555 -14.740   5.818
 1116    H    LEU  69           HN       LEU  69 -13.021 -15.861   3.390
 1117    HA   LEU  69           HA       LEU  69 -10.602 -15.026   2.156
 1118    HG   LEU  69           HG       LEU  69 -11.509 -17.586   4.638
 1119    HB2  LEU  69           HB2      LEU  69  -9.305 -17.094   2.675
 1120    HB3  LEU  69           HB3      LEU  69  -9.502 -16.006   4.031
 1121   HD11  LEU  69          HD11      LEU  69  -9.777 -19.415   2.980
 1122   HD12  LEU  69          HD12      LEU  69 -11.103 -19.914   4.029
 1123   HD13  LEU  69          HD13      LEU  69 -11.430 -18.928   2.603
 1124   HD21  LEU  69          HD21      LEU  69  -9.989 -18.945   5.987
 1125   HD22  LEU  69          HD22      LEU  69  -8.626 -18.370   5.026
 1126   HD23  LEU  69          HD23      LEU  69  -9.544 -17.239   6.019
 1127    H    ALA  70           HN       ALA  70 -10.023 -16.436   0.351
 1128    HA   ALA  70           HA       ALA  70 -12.321 -18.052  -0.525
 1129    HB1  ALA  70           HB1      ALA  70 -12.106 -16.006  -1.835
 1130    HB2  ALA  70           HB2      ALA  70 -10.440 -16.431  -2.237
 1131    HB3  ALA  70           HB3      ALA  70 -11.771 -17.429  -2.821
 1132    HA   PRO  71           HA       PRO  71  -9.276 -21.340  -0.227
 1133    HB2  PRO  71           HB2      PRO  71 -11.452 -22.845  -1.560
 1134    HB3  PRO  71           HB3      PRO  71 -10.593 -23.205  -0.059
 1135    HG2  PRO  71           HG2      PRO  71 -13.110 -22.315  -0.018
 1136    HG3  PRO  71           HG3      PRO  71 -11.929 -21.797   1.201
 1137    HD2  PRO  71           HD2      PRO  71 -12.949 -20.326  -1.198
 1138    HD3  PRO  71           HD3      PRO  71 -12.598 -19.718   0.434
 1139    H    VAL  72           HN       VAL  72 -11.234 -20.651  -3.067
 1140    HA   VAL  72           HA       VAL  72  -8.983 -20.614  -4.802
 1141    HB   VAL  72           HB       VAL  72  -9.345 -23.081  -4.598
 1142   HG11  VAL  72          HG11      VAL  72 -11.982 -22.501  -5.937
 1143   HG12  VAL  72          HG12      VAL  72 -11.288 -24.101  -5.668
 1144   HG13  VAL  72          HG13      VAL  72 -11.755 -23.099  -4.292
 1145   HG21  VAL  72          HG21      VAL  72  -8.293 -22.168  -6.582
 1146   HG22  VAL  72          HG22      VAL  72  -9.310 -23.545  -7.007
 1147   HG23  VAL  72          HG23      VAL  72  -9.872 -21.904  -7.323
 1148    H    ALA  73           HN       ALA  73  -9.531 -19.694  -6.826
 1149    HA   ALA  73           HA       ALA  73 -12.059 -18.305  -6.863
 1150    HB1  ALA  73           HB1      ALA  73 -11.214 -17.251  -8.912
 1151    HB2  ALA  73           HB2      ALA  73 -10.044 -17.140  -7.594
 1152    HB3  ALA  73           HB3      ALA  73  -9.815 -18.325  -8.880
 1153    H    ARG  74           HN       ARG  74 -13.739 -19.610  -7.280
 1154    HA   ARG  74           HA       ARG  74 -13.842 -21.889  -8.815
 1155    HE   ARG  74           HE       ARG  74 -16.414 -16.965  -8.850
 1156    HB2  ARG  74           HB2      ARG  74 -16.249 -21.616  -8.929
 1157    HB3  ARG  74           HB3      ARG  74 -15.679 -21.150  -7.336
 1158    HG2  ARG  74           HG2      ARG  74 -16.249 -19.154  -9.513
 1159    HG3  ARG  74           HG3      ARG  74 -17.470 -19.698  -8.364
 1160    HD2  ARG  74           HD2      ARG  74 -16.333 -18.744  -6.542
 1161    HD3  ARG  74           HD3      ARG  74 -14.839 -18.568  -7.463
 1162   HH11  ARG  74          HH12      ARG  74 -16.138 -17.299  -5.362
 1163   HH12  ARG  74          HH11      ARG  74 -16.530 -15.628  -5.051
 1164   HH21  ARG  74          HH22      ARG  74 -16.867 -14.771  -8.441
 1165   HH22  ARG  74          HH21      ARG  74 -16.947 -14.194  -6.802
 1166    H    ASN  75           HN       ASN  75 -13.579 -22.310 -10.868
 1167    HA   ASN  75           HA       ASN  75 -13.373 -20.072 -12.722
 1168    HB2  ASN  75           HB2      ASN  75 -11.599 -21.859 -12.543
 1169    HB3  ASN  75           HB3      ASN  75 -12.754 -22.982 -13.254
 1170   HD21  ASN  75          HD21      ASN  75 -10.753 -20.214 -13.779
 1171   HD22  ASN  75          HD22      ASN  75 -10.861 -20.192 -15.510
 1172    H    GLY  76           HN       GLY  76 -15.004 -19.509 -13.990
 1173    HA2  GLY  76           HA1      GLY  76 -17.235 -21.276 -14.468
 1174    HA3  GLY  76           HA2      GLY  76 -17.013 -19.662 -15.138
 1175    H    ARG  77           HN       ARG  77 -15.750 -19.390 -17.004
 1176    HA   ARG  77           HA       ARG  77 -14.771 -21.837 -18.298
 1177    HE   ARG  77           HE       ARG  77 -16.117 -23.169 -17.887
 1178    HB2  ARG  77           HB2      ARG  77 -16.380 -19.633 -19.593
 1179    HB3  ARG  77           HB3      ARG  77 -15.385 -20.745 -20.518
 1180    HG2  ARG  77           HG2      ARG  77 -17.638 -21.599 -18.714
 1181    HG3  ARG  77           HG3      ARG  77 -17.796 -21.328 -20.449
 1182    HD2  ARG  77           HD2      ARG  77 -17.492 -23.642 -20.239
 1183    HD3  ARG  77           HD3      ARG  77 -15.911 -23.027 -20.717
 1184   HH11  ARG  77          HH12      ARG  77 -15.662 -25.189 -20.719
 1185   HH12  ARG  77          HH11      ARG  77 -14.858 -26.454 -19.838
 1186   HH21  ARG  77          HH22      ARG  77 -15.055 -24.818 -16.735
 1187   HH22  ARG  77          HH21      ARG  77 -14.483 -26.231 -17.574
 1188    H    LEU  78           HN       LEU  78 -12.766 -21.224 -17.392
 1189    HA   LEU  78           HA       LEU  78 -10.650 -20.442 -17.558
 1190    HG   LEU  78           HG       LEU  78 -11.683 -21.603 -20.268
 1191    HB2  LEU  78           HB2      LEU  78 -11.620 -19.150 -20.109
 1192    HB3  LEU  78           HB3      LEU  78  -9.945 -19.226 -19.595
 1193   HD11  LEU  78          HD11      LEU  78 -11.075 -20.289 -22.230
 1194   HD12  LEU  78          HD12      LEU  78  -9.378 -20.356 -21.756
 1195   HD13  LEU  78          HD13      LEU  78 -10.225 -21.834 -22.208
 1196   HD21  LEU  78          HD21      LEU  78  -8.760 -21.454 -19.551
 1197   HD22  LEU  78          HD22      LEU  78 -10.041 -22.119 -18.538
 1198   HD23  LEU  78          HD23      LEU  78  -9.629 -22.900 -20.065
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  20.571  -7.020  13.504
    2    H2   GLY   1           H2       GLY   1  19.678  -8.287  14.181
    3    H3   GLY   1           H3       GLY   1  19.279  -7.703  12.641
    4    HA2  GLY   1           HA2      GLY   1  20.434  -9.766  12.393
    5    HA3  GLY   1           HA1      GLY   1  21.450  -8.453  11.812
    6    HA   PRO   2           HA       PRO   2  23.696 -11.235  14.998
    7    HB2  PRO   2           HB2      PRO   2  25.626 -11.106  12.733
    8    HB3  PRO   2           HB3      PRO   2  25.240 -12.456  13.804
    9    HG2  PRO   2           HG2      PRO   2  24.327 -12.392  11.303
   10    HG3  PRO   2           HG3      PRO   2  23.319 -13.012  12.623
   11    HD2  PRO   2           HD2      PRO   2  23.171 -10.406  11.182
   12    HD3  PRO   2           HD3      PRO   2  21.864 -11.404  11.851
   13    H    LEU   3           HN       LEU   3  25.211  -9.013  12.652
   14    HA   LEU   3           HA       LEU   3  25.801  -7.072  14.670
   15    HG   LEU   3           HG       LEU   3  28.688  -6.209  13.953
   16    HB2  LEU   3           HB2      LEU   3  27.567  -8.787  15.067
   17    HB3  LEU   3           HB3      LEU   3  28.121  -8.547  13.421
   18   HD11  LEU   3          HD11      LEU   3  28.655  -5.435  16.264
   19   HD12  LEU   3          HD12      LEU   3  27.029  -5.831  15.703
   20   HD13  LEU   3          HD13      LEU   3  27.890  -6.945  16.766
   21   HD21  LEU   3          HD21      LEU   3  30.602  -6.691  15.405
   22   HD22  LEU   3          HD22      LEU   3  29.885  -8.247  15.828
   23   HD23  LEU   3          HD23      LEU   3  30.391  -7.928  14.168
   24    H    GLY   4           HN       GLY   4  25.130  -5.376  13.504
   25    HA2  GLY   4           HA1      GLY   4  26.019  -3.690  11.969
   26    HA3  GLY   4           HA2      GLY   4  26.408  -5.000  10.867
   27    H    SER   5           HN       SER   5  23.847  -3.103  12.272
   28    HA   SER   5           HA       SER   5  21.958  -2.259  11.365
   29    HG   SER   5           HG       SER   5  21.210  -1.381   8.838
   30    HB2  SER   5           HB2      SER   5  23.207  -2.006   9.274
   31    HB3  SER   5           HB3      SER   5  22.817  -3.667   8.828
   32    H    SER   6           HN       SER   6  20.004  -2.887  11.897
   33    HA   SER   6           HA       SER   6  19.161  -5.642  11.366
   34    HG   SER   6           HG       SER   6  18.629  -4.304  14.703
   35    HB2  SER   6           HB2      SER   6  17.760  -3.450  12.922
   36    HB3  SER   6           HB3      SER   6  17.246  -5.134  12.812
   37    H    ALA   7           HN       ALA   7  18.989  -2.477  10.197
   38    HA   ALA   7           HA       ALA   7  16.509  -2.636   8.788
   39    HB1  ALA   7           HB1      ALA   7  17.262  -0.611   7.649
   40    HB2  ALA   7           HB2      ALA   7  17.491  -0.482   9.393
   41    HB3  ALA   7           HB3      ALA   7  18.870  -0.811   8.344
   42    H    GLY   8           HN       GLY   8  19.884  -3.331   8.035
   43    HA2  GLY   8           HA1      GLY   8  19.645  -3.880   5.311
   44    HA3  GLY   8           HA2      GLY   8  20.806  -4.635   6.399
   45    H    ALA   9           HN       ALA   9  18.971  -5.899   8.124
   46    HA   ALA   9           HA       ALA   9  18.353  -8.257   6.684
   47    HB1  ALA   9           HB1      ALA   9  17.352  -7.401   9.400
   48    HB2  ALA   9           HB2      ALA   9  17.330  -9.040   8.744
   49    HB3  ALA   9           HB3      ALA   9  18.868  -8.248   9.090
   50    H    LEU  10           HN       LEU  10  16.410  -5.544   7.846
   51    HA   LEU  10           HA       LEU  10  13.894  -6.468   6.999
   52    HG   LEU  10           HG       LEU  10  13.091  -3.560   5.798
   53    HB2  LEU  10           HB2      LEU  10  14.000  -4.622   8.474
   54    HB3  LEU  10           HB3      LEU  10  15.029  -3.706   7.389
   55   HD11  LEU  10          HD11      LEU  10  11.817  -5.467   6.586
   56   HD12  LEU  10          HD12      LEU  10  11.558  -4.674   8.140
   57   HD13  LEU  10          HD13      LEU  10  10.853  -3.992   6.672
   58   HD21  LEU  10          HD21      LEU  10  13.652  -1.691   7.230
   59   HD22  LEU  10          HD22      LEU  10  11.898  -1.836   7.093
   60   HD23  LEU  10          HD23      LEU  10  12.718  -2.389   8.554
   61    H    LEU  11           HN       LEU  11  16.303  -4.451   5.391
   62    HA   LEU  11           HA       LEU  11  14.994  -4.131   2.942
   63    HG   LEU  11           HG       LEU  11  18.089  -2.438   1.763
   64    HB2  LEU  11           HB2      LEU  11  16.966  -2.858   3.746
   65    HB3  LEU  11           HB3      LEU  11  17.956  -4.282   3.527
   66   HD11  LEU  11          HD11      LEU  11  19.066  -4.646   1.489
   67   HD12  LEU  11          HD12      LEU  11  17.526  -5.260   0.881
   68   HD13  LEU  11          HD13      LEU  11  18.411  -4.040  -0.034
   69   HD21  LEU  11          HD21      LEU  11  15.471  -3.691   0.937
   70   HD22  LEU  11          HD22      LEU  11  15.712  -2.033   1.490
   71   HD23  LEU  11          HD23      LEU  11  16.421  -2.565  -0.032
   72    H    ALA  12           HN       ALA  12  17.327  -6.585   4.023
   73    HA   ALA  12           HA       ALA  12  17.548  -8.021   1.652
   74    HB1  ALA  12           HB1      ALA  12  19.026  -8.305   3.585
   75    HB2  ALA  12           HB2      ALA  12  17.722  -9.111   4.456
   76    HB3  ALA  12           HB3      ALA  12  18.397  -9.844   2.999
   77    H    HIS  13           HN       HIS  13  15.282  -8.597   4.375
   78    HA   HIS  13           HA       HIS  13  14.162 -10.855   3.017
   79    HD1  HIS  13           HD1      HIS  13  10.635 -10.181   5.128
   80    HD2  HIS  13           HD2      HIS  13  13.758  -7.917   6.664
   81    HE1  HIS  13           HE1      HIS  13   9.557  -8.342   6.458
   82    HE2  HIS  13           HE2      HIS  13  11.472  -7.222   7.643
   83    HB2  HIS  13           HB2      HIS  13  12.921 -11.277   4.918
   84    HB3  HIS  13           HB3      HIS  13  14.309 -10.428   5.577
   85    H    ALA  14           HN       ALA  14  13.417  -7.462   3.188
   86    HA   ALA  14           HA       ALA  14  10.824  -7.625   2.027
   87    HB1  ALA  14           HB1      ALA  14  11.305  -5.217   1.373
   88    HB2  ALA  14           HB2      ALA  14  11.367  -5.592   3.095
   89    HB3  ALA  14           HB3      ALA  14  12.859  -5.418   2.180
   90    H    ALA  15           HN       ALA  15  14.076  -7.125   0.685
   91    HA   ALA  15           HA       ALA  15  13.311  -6.954  -2.021
   92    HB1  ALA  15           HB1      ALA  15  15.918  -7.959  -0.896
   93    HB2  ALA  15           HB2      ALA  15  15.639  -7.361  -2.532
   94    HB3  ALA  15           HB3      ALA  15  15.514  -6.261  -1.158
   95    H    SER  16           HN       SER  16  14.171  -9.671   0.040
   96    HA   SER  16           HA       SER  16  14.265 -11.632  -1.981
   97    HG   SER  16           HG       SER  16  15.754 -11.101   0.649
   98    HB2  SER  16           HB2      SER  16  13.703 -11.889   0.979
   99    HB3  SER  16           HB3      SER  16  14.046 -13.245  -0.096
  100    H    LEU  17           HN       LEU  17  11.600 -10.308  -0.098
  101    HA   LEU  17           HA       LEU  17   9.708 -12.222  -1.186
  102    HG   LEU  17           HG       LEU  17  10.370 -11.269   1.832
  103    HB2  LEU  17           HB2      LEU  17   9.240  -9.687   0.392
  104    HB3  LEU  17           HB3      LEU  17   8.018 -10.876  -0.011
  105   HD11  LEU  17          HD11      LEU  17   8.596 -11.575   3.514
  106   HD12  LEU  17          HD12      LEU  17   8.598  -9.960   2.804
  107   HD13  LEU  17          HD13      LEU  17   7.399 -11.146   2.293
  108   HD21  LEU  17          HD21      LEU  17   9.483 -13.495   2.244
  109   HD22  LEU  17          HD22      LEU  17   8.223 -13.232   1.037
  110   HD23  LEU  17          HD23      LEU  17   9.915 -13.304   0.544
  111    H    GLY  18           HN       GLY  18  10.941  -9.081  -1.882
  112    HA2  GLY  18           HA1      GLY  18  10.763  -7.889  -3.858
  113    HA3  GLY  18           HA2      GLY  18   9.559  -9.035  -4.411
  114    H    VAL  19           HN       VAL  19   9.308  -7.359  -1.332
  115    HA   VAL  19           HA       VAL  19   6.823  -6.141  -2.058
  116    HB   VAL  19           HB       VAL  19   8.616  -5.457   0.286
  117   HG11  VAL  19          HG11      VAL  19   6.969  -3.732  -0.204
  118   HG12  VAL  19          HG12      VAL  19   5.684  -4.940  -0.164
  119   HG13  VAL  19          HG13      VAL  19   6.589  -4.564   1.304
  120   HG21  VAL  19          HG21      VAL  19   8.053  -7.784   0.422
  121   HG22  VAL  19          HG22      VAL  19   7.076  -6.893   1.596
  122   HG23  VAL  19          HG23      VAL  19   6.357  -7.435   0.077
  123    H    ARG  20           HN       ARG  20   6.565  -4.326  -3.198
  124    HA   ARG  20           HA       ARG  20   8.876  -2.488  -3.424
  125    HE   ARG  20           HE       ARG  20   9.296  -6.652  -6.521
  126    HB2  ARG  20           HB2      ARG  20   6.954  -3.106  -5.672
  127    HB3  ARG  20           HB3      ARG  20   8.515  -2.296  -5.764
  128    HG2  ARG  20           HG2      ARG  20   9.675  -4.340  -5.322
  129    HG3  ARG  20           HG3      ARG  20   8.162  -5.182  -4.994
  130    HD2  ARG  20           HD2      ARG  20   7.494  -4.645  -7.368
  131    HD3  ARG  20           HD3      ARG  20   9.160  -4.123  -7.625
  132   HH11  ARG  20          HH12      ARG  20   7.967  -5.211  -9.427
  133   HH12  ARG  20          HH11      ARG  20   8.203  -6.645 -10.385
  134   HH21  ARG  20          HH22      ARG  20   9.557  -8.549  -7.793
  135   HH22  ARG  20          HH21      ARG  20   9.082  -8.524  -9.462
  136    H    LEU  21           HN       LEU  21   8.381  -0.394  -3.066
  137    HA   LEU  21           HA       LEU  21   5.614   0.489  -3.470
  138    HG   LEU  21           HG       LEU  21   4.791  -0.326  -1.307
  139    HB2  LEU  21           HB2      LEU  21   7.367   1.183  -1.107
  140    HB3  LEU  21           HB3      LEU  21   5.896   2.041  -1.514
  141   HD11  LEU  21          HD11      LEU  21   5.855  -1.723   0.382
  142   HD12  LEU  21          HD12      LEU  21   6.874  -1.566  -1.049
  143   HD13  LEU  21          HD13      LEU  21   7.248  -0.645   0.406
  144   HD21  LEU  21          HD21      LEU  21   5.693   1.328   1.045
  145   HD22  LEU  21          HD22      LEU  21   4.231   1.561   0.086
  146   HD23  LEU  21          HD23      LEU  21   4.409   0.120   1.089
  147    H    TRP  22           HN       TRP  22   5.502   2.163  -4.809
  148    HA   TRP  22           HA       TRP  22   7.658   4.123  -4.801
  149    HD1  TRP  22           HD1      TRP  22   6.158   4.417  -9.053
  150    HE1  TRP  22           HE1      TRP  22   4.514   2.847 -10.266
  151    HE3  TRP  22           HE3      TRP  22   6.669   0.276  -6.095
  152    HZ2  TRP  22           HZ2      TRP  22   3.557   0.207  -9.989
  153    HZ3  TRP  22           HZ3      TRP  22   5.349  -1.723  -6.634
  154    HH2  TRP  22           HH2      TRP  22   3.825  -1.760  -8.541
  155    HB2  TRP  22           HB2      TRP  22   7.943   4.110  -7.201
  156    HB3  TRP  22           HB3      TRP  22   8.212   2.480  -6.598
  157    H    VAL  23           HN       VAL  23   6.935   6.160  -5.039
  158    HA   VAL  23           HA       VAL  23   4.057   6.485  -5.349
  159    HB   VAL  23           HB       VAL  23   5.009   7.596  -3.422
  160   HG11  VAL  23          HG11      VAL  23   7.290   7.896  -4.226
  161   HG12  VAL  23          HG12      VAL  23   6.738   9.136  -5.352
  162   HG13  VAL  23          HG13      VAL  23   6.629   9.411  -3.613
  163   HG21  VAL  23          HG21      VAL  23   4.234   9.611  -5.530
  164   HG22  VAL  23          HG22      VAL  23   3.119   8.672  -4.537
  165   HG23  VAL  23          HG23      VAL  23   4.182   9.861  -3.785
  166    H    GLU  24           HN       GLU  24   3.160   7.165  -7.150
  167    HA   GLU  24           HA       GLU  24   4.870   8.510  -9.135
  168    HB2  GLU  24           HB2      GLU  24   4.336   6.227  -9.854
  169    HB3  GLU  24           HB3      GLU  24   2.620   6.553  -9.650
  170    HG2  GLU  24           HG2      GLU  24   2.621   8.103 -11.449
  171    HG3  GLU  24           HG3      GLU  24   4.381   8.060 -11.566
  172    H    GLY  25           HN       GLY  25   4.270  10.507  -9.493
  173    HA2  GLY  25           HA1      GLY  25   2.961  12.386  -9.717
  174    HA3  GLY  25           HA2      GLY  25   1.563  11.325  -9.831
  175    H    GLU  26           HN       GLU  26   0.324  10.948  -8.070
  176    HA   GLU  26           HA       GLU  26   1.023  12.431  -5.622
  177    HB2  GLU  26           HB2      GLU  26  -1.403  12.662  -5.247
  178    HB3  GLU  26           HB3      GLU  26  -0.896  13.406  -6.756
  179    HG2  GLU  26           HG2      GLU  26  -1.788  11.637  -8.044
  180    HG3  GLU  26           HG3      GLU  26  -2.036  10.633  -6.618
  181    H    ARG  27           HN       ARG  27   0.496   9.329  -6.898
  182    HA   ARG  27           HA       ARG  27  -0.565   8.404  -4.320
  183    HE   ARG  27           HE       ARG  27  -3.436   8.792  -5.220
  184    HB2  ARG  27           HB2      ARG  27  -2.038   8.249  -6.435
  185    HB3  ARG  27           HB3      ARG  27  -0.995   6.900  -6.874
  186    HG2  ARG  27           HG2      ARG  27  -3.059   6.187  -5.728
  187    HG3  ARG  27           HG3      ARG  27  -1.594   5.713  -4.855
  188    HD2  ARG  27           HD2      ARG  27  -3.391   6.654  -3.397
  189    HD3  ARG  27           HD3      ARG  27  -1.857   7.510  -3.296
  190   HH11  ARG  27          HH12      ARG  27  -3.457   8.214  -1.767
  191   HH12  ARG  27          HH11      ARG  27  -4.233   9.713  -1.389
  192   HH21  ARG  27          HH22      ARG  27  -4.443  10.797  -4.740
  193   HH22  ARG  27          HH21      ARG  27  -4.796  11.182  -3.079
  194    H    LEU  28           HN       LEU  28   0.410   6.902  -3.247
  195    HA   LEU  28           HA       LEU  28   2.851   5.699  -4.143
  196    HG   LEU  28           HG       LEU  28   3.407   4.700  -0.592
  197    HB2  LEU  28           HB2      LEU  28   2.344   6.405  -1.782
  198    HB3  LEU  28           HB3      LEU  28   1.173   5.110  -1.698
  199   HD11  LEU  28          HD11      LEU  28   2.539   2.736  -2.700
  200   HD12  LEU  28          HD12      LEU  28   3.550   2.377  -1.299
  201   HD13  LEU  28          HD13      LEU  28   1.874   2.880  -1.071
  202   HD21  LEU  28          HD21      LEU  28   5.244   3.978  -2.030
  203   HD22  LEU  28          HD22      LEU  28   4.313   4.459  -3.448
  204   HD23  LEU  28          HD23      LEU  28   4.833   5.674  -2.282
  205    H    ARG  29           HN       ARG  29   2.989   3.869  -5.280
  206    HA   ARG  29           HA       ARG  29   0.613   2.148  -5.447
  207    HE   ARG  29           HE       ARG  29  -1.015   4.880  -8.560
  208    HB2  ARG  29           HB2      ARG  29   2.913   2.637  -7.286
  209    HB3  ARG  29           HB3      ARG  29   2.129   1.066  -7.327
  210    HG2  ARG  29           HG2      ARG  29   1.117   2.351  -9.010
  211    HG3  ARG  29           HG3      ARG  29  -0.044   2.297  -7.681
  212    HD2  ARG  29           HD2      ARG  29   0.649   4.521  -6.973
  213    HD3  ARG  29           HD3      ARG  29   1.862   4.560  -8.249
  214   HH11  ARG  29          HH12      ARG  29   2.067   4.359 -10.095
  215   HH12  ARG  29          HH11      ARG  29   1.595   5.073 -11.609
  216   HH21  ARG  29          HH22      ARG  29  -1.692   5.761 -10.572
  217   HH22  ARG  29          HH21      ARG  29  -0.553   5.836 -11.885
  218    H    PHE  30           HN       PHE  30   0.747  -0.061  -5.064
  219    HA   PHE  30           HA       PHE  30   3.101  -0.825  -3.463
  220    HD1  PHE  30           HD1      PHE  30   3.087  -3.195  -2.213
  221    HD2  PHE  30           HD2      PHE  30   0.800  -0.215  -0.218
  222    HE1  PHE  30           HE1      PHE  30   4.175  -3.781  -0.099
  223    HE2  PHE  30           HE2      PHE  30   1.883  -0.793   1.900
  224    HZ   PHE  30           HZ       PHE  30   3.583  -2.584   1.966
  225    HB2  PHE  30           HB2      PHE  30   0.628  -0.372  -2.484
  226    HB3  PHE  30           HB3      PHE  30   0.476  -2.076  -2.896
  227    H    GLN  31           HN       GLN  31   4.075  -2.661  -3.995
  228    HA   GLN  31           HA       GLN  31   2.666  -4.615  -5.696
  229    HB2  GLN  31           HB2      GLN  31   4.298  -3.447  -7.060
  230    HB3  GLN  31           HB3      GLN  31   5.544  -3.697  -5.849
  231    HG2  GLN  31           HG2      GLN  31   5.962  -5.223  -7.595
  232    HG3  GLN  31           HG3      GLN  31   5.310  -6.155  -6.249
  233   HE21  GLN  31          HE21      GLN  31   4.734  -4.931  -9.438
  234   HE22  GLN  31          HE22      GLN  31   3.353  -5.918  -9.785
  235    H    ALA  32           HN       ALA  32   2.371  -6.412  -4.523
  236    HA   ALA  32           HA       ALA  32   4.608  -7.541  -3.065
  237    HB1  ALA  32           HB1      ALA  32   3.565  -6.080  -1.403
  238    HB2  ALA  32           HB2      ALA  32   2.027  -6.910  -1.641
  239    HB3  ALA  32           HB3      ALA  32   3.407  -7.780  -0.969
  240    HA   PRO  33           HA       PRO  33   2.674 -11.153  -4.831
  241    HB2  PRO  33           HB2      PRO  33   4.603 -12.581  -3.110
  242    HB3  PRO  33           HB3      PRO  33   4.413 -12.629  -4.865
  243    HG2  PRO  33           HG2      PRO  33   6.500 -11.389  -3.750
  244    HG3  PRO  33           HG3      PRO  33   5.703 -10.729  -5.193
  245    HD2  PRO  33           HD2      PRO  33   5.399  -9.914  -2.326
  246    HD3  PRO  33           HD3      PRO  33   5.588  -8.893  -3.765
  247    HA   PRO  34           HA       PRO  34  -0.226 -12.489  -1.824
  248    HB2  PRO  34           HB2      PRO  34  -0.465 -15.159  -2.512
  249    HB3  PRO  34           HB3      PRO  34  -1.300 -13.827  -3.311
  250    HG2  PRO  34           HG2      PRO  34   1.162 -15.290  -4.138
  251    HG3  PRO  34           HG3      PRO  34  -0.158 -14.652  -5.136
  252    HD2  PRO  34           HD2      PRO  34   2.229 -13.408  -4.940
  253    HD3  PRO  34           HD3      PRO  34   0.710 -12.514  -5.139
  254    H    GLY  35           HN       GLY  35   0.165 -12.786   0.258
  255    HA2  GLY  35           HA1      GLY  35   0.519 -14.453   1.992
  256    HA3  GLY  35           HA2      GLY  35   1.879 -15.043   1.052
  257    H    VAL  36           HN       VAL  36   2.828 -12.278   0.485
  258    HA   VAL  36           HA       VAL  36   4.439 -12.148   2.886
  259    HB   VAL  36           HB       VAL  36   5.883 -10.655   1.715
  260   HG11  VAL  36          HG11      VAL  36   4.969 -12.786  -0.204
  261   HG12  VAL  36          HG12      VAL  36   6.582 -12.085  -0.080
  262   HG13  VAL  36          HG13      VAL  36   5.952 -13.088   1.230
  263   HG21  VAL  36          HG21      VAL  36   3.851 -10.605  -0.507
  264   HG22  VAL  36          HG22      VAL  36   4.188  -9.280   0.608
  265   HG23  VAL  36          HG23      VAL  36   5.432  -9.825  -0.516
  266    H    MET  37           HN       MET  37   1.743 -10.503   1.646
  267    HA   MET  37           HA       MET  37   2.405  -7.918   2.728
  268    HB2  MET  37           HB2      MET  37   1.076  -8.322   0.605
  269    HB3  MET  37           HB3      MET  37  -0.267  -8.804   1.630
  270    HG2  MET  37           HG2      MET  37  -0.789  -6.619   1.243
  271    HG3  MET  37           HG3      MET  37   0.126  -6.467   2.739
  272    HE1  MET  37           HE1      MET  37   3.263  -6.776   1.542
  273    HE2  MET  37           HE2      MET  37   3.554  -5.039   1.490
  274    HE3  MET  37           HE3      MET  37   2.660  -5.739   2.840
  275    H    THR  38           HN       THR  38   1.996 -10.356   4.470
  276    HA   THR  38           HA       THR  38  -0.261 -10.191   6.061
  277    HB   THR  38           HB       THR  38   1.332 -10.975   7.918
  278    HG1  THR  38           HG1      THR  38   3.108 -10.112   6.114
  279   HG21  THR  38          HG21      THR  38   0.016 -12.515   6.556
  280   HG22  THR  38          HG22      THR  38   1.620 -13.177   6.880
  281   HG23  THR  38          HG23      THR  38   1.257 -12.475   5.303
  282    HA   PRO  39           HA       PRO  39  -0.368  -6.226   7.996
  283    HB2  PRO  39           HB2      PRO  39  -0.852  -7.816  10.482
  284    HB3  PRO  39           HB3      PRO  39  -1.738  -6.425   9.844
  285    HG2  PRO  39           HG2      PRO  39  -2.715  -8.888   9.580
  286    HG3  PRO  39           HG3      PRO  39  -2.875  -7.702   8.273
  287    HD2  PRO  39           HD2      PRO  39  -1.072 -10.058   8.485
  288    HD3  PRO  39           HD3      PRO  39  -1.813  -9.325   7.047
  289    H    GLU  40           HN       GLU  40   1.392  -8.790   9.731
  290    HA   GLU  40           HA       GLU  40   2.937  -7.106  11.357
  291    HB2  GLU  40           HB2      GLU  40   2.798  -9.476  11.814
  292    HB3  GLU  40           HB3      GLU  40   3.560  -9.854  10.275
  293    HG2  GLU  40           HG2      GLU  40   5.636  -8.908  10.997
  294    HG3  GLU  40           HG3      GLU  40   4.898  -8.305  12.479
  295    H    LEU  41           HN       LEU  41   3.491  -8.301   8.067
  296    HA   LEU  41           HA       LEU  41   6.134  -7.392   7.769
  297    HG   LEU  41           HG       LEU  41   6.628  -6.568   5.432
  298    HB2  LEU  41           HB2      LEU  41   4.925  -8.852   6.135
  299    HB3  LEU  41           HB3      LEU  41   4.035  -7.420   5.622
  300   HD11  LEU  41          HD11      LEU  41   6.573  -9.452   4.559
  301   HD12  LEU  41          HD12      LEU  41   7.851  -8.293   4.188
  302   HD13  LEU  41          HD13      LEU  41   7.544  -8.764   5.860
  303   HD21  LEU  41          HD21      LEU  41   4.914  -7.839   3.304
  304   HD22  LEU  41          HD22      LEU  41   4.873  -6.152   3.828
  305   HD23  LEU  41          HD23      LEU  41   6.303  -6.791   3.013
  306    H    GLN  42           HN       GLN  42   3.030  -5.851   7.117
  307    HA   GLN  42           HA       GLN  42   3.975  -3.447   6.084
  308    HB2  GLN  42           HB2      GLN  42   1.634  -3.972   5.950
  309    HB3  GLN  42           HB3      GLN  42   1.502  -4.063   7.701
  310    HG2  GLN  42           HG2      GLN  42   0.553  -2.018   7.186
  311    HG3  GLN  42           HG3      GLN  42   2.186  -1.617   7.697
  312   HE21  GLN  42          HE21      GLN  42   3.262  -2.583   5.080
  313   HE22  GLN  42          HE22      GLN  42   2.902  -1.323   3.960
  314    H    SER  43           HN       SER  43   3.490  -4.493   9.415
  315    HA   SER  43           HA       SER  43   4.160  -2.025  10.634
  316    HG   SER  43           HG       SER  43   5.159  -3.560  13.351
  317    HB2  SER  43           HB2      SER  43   2.902  -3.874  11.752
  318    HB3  SER  43           HB3      SER  43   4.397  -4.808  11.804
  319    H    ARG  44           HN       ARG  44   6.039  -4.733   9.453
  320    HA   ARG  44           HA       ARG  44   8.511  -3.927  10.644
  321    HE   ARG  44           HE       ARG  44   7.204  -8.029  12.050
  322    HB2  ARG  44           HB2      ARG  44   8.073  -5.646   8.191
  323    HB3  ARG  44           HB3      ARG  44   9.555  -5.531   9.132
  324    HG2  ARG  44           HG2      ARG  44   6.924  -6.616  10.113
  325    HG3  ARG  44           HG3      ARG  44   8.326  -7.573   9.634
  326    HD2  ARG  44           HD2      ARG  44   9.630  -6.633  11.440
  327    HD3  ARG  44           HD3      ARG  44   8.303  -5.555  11.874
  328   HH11  ARG  44          HH12      ARG  44  10.064  -6.557  13.443
  329   HH12  ARG  44          HH11      ARG  44   9.990  -7.507  14.897
  330   HH21  ARG  44          HH22      ARG  44   7.118  -9.293  13.955
  331   HH22  ARG  44          HH21      ARG  44   8.339  -9.065  15.175
  332    H    LEU  45           HN       LEU  45   6.980  -3.457   7.484
  333    HA   LEU  45           HA       LEU  45   8.992  -1.926   6.258
  334    HG   LEU  45           HG       LEU  45   6.757  -3.987   5.466
  335    HB2  LEU  45           HB2      LEU  45   5.995  -1.624   5.929
  336    HB3  LEU  45           HB3      LEU  45   7.218  -1.073   4.803
  337   HD11  LEU  45          HD11      LEU  45   5.654  -4.130   3.275
  338   HD12  LEU  45          HD12      LEU  45   4.767  -3.091   4.399
  339   HD13  LEU  45          HD13      LEU  45   5.755  -2.373   3.128
  340   HD21  LEU  45          HD21      LEU  45   8.290  -2.626   3.258
  341   HD22  LEU  45          HD22      LEU  45   8.980  -3.531   4.608
  342   HD23  LEU  45          HD23      LEU  45   8.012  -4.364   3.388
  343    H    GLY  46           HN       GLY  46   6.326  -1.060   8.391
  344    HA2  GLY  46           HA1      GLY  46   6.402   0.528  10.085
  345    HA3  GLY  46           HA2      GLY  46   7.886   1.167   9.398
  346    H    GLY  47           HN       GLY  47   6.469   1.271   6.717
  347    HA2  GLY  47           HA1      GLY  47   5.277   2.806   5.488
  348    HA3  GLY  47           HA2      GLY  47   4.354   3.156   6.943
  349    H    ALA  48           HN       ALA  48   7.775   3.449   7.156
  350    HA   ALA  48           HA       ALA  48   7.515   6.282   7.630
  351    HB1  ALA  48           HB1      ALA  48   8.901   4.983   9.124
  352    HB2  ALA  48           HB2      ALA  48   9.896   4.436   7.778
  353    HB3  ALA  48           HB3      ALA  48   9.904   6.136   8.244
  354    H    ARG  49           HN       ARG  49   8.744   7.881   6.506
  355    HA   ARG  49           HA       ARG  49   8.498   7.495   3.699
  356    HE   ARG  49           HE       ARG  49   7.703  11.954   5.812
  357    HB2  ARG  49           HB2      ARG  49   9.294   9.823   3.524
  358    HB3  ARG  49           HB3      ARG  49   7.990   9.638   4.687
  359    HG2  ARG  49           HG2      ARG  49   9.558   9.729   6.522
  360    HG3  ARG  49           HG3      ARG  49  10.909   9.801   5.388
  361    HD2  ARG  49           HD2      ARG  49  10.647  12.022   5.895
  362    HD3  ARG  49           HD3      ARG  49   9.654  11.869   4.447
  363   HH11  ARG  49          HH12      ARG  49  10.692  12.588   7.519
  364   HH12  ARG  49          HH11      ARG  49   9.937  13.484   8.795
  365   HH21  ARG  49          HH22      ARG  49   6.706  13.203   7.443
  366   HH22  ARG  49          HH21      ARG  49   7.654  13.853   8.744
  367    H    HIS  50           HN       HIS  50  11.341   8.061   5.777
  368    HA   HIS  50           HA       HIS  50  13.265   7.922   3.730
  369    HD1  HIS  50           HD1      HIS  50  13.675   5.321   7.168
  370    HD2  HIS  50           HD2      HIS  50  12.682   9.273   8.061
  371    HE1  HIS  50           HE1      HIS  50  12.493   5.250   9.374
  372    HE2  HIS  50           HE2      HIS  50  12.074   7.665   9.995
  373    HB2  HIS  50           HB2      HIS  50  14.853   7.294   5.660
  374    HB3  HIS  50           HB3      HIS  50  14.038   8.851   5.747
  375    H    GLU  51           HN       GLU  51  11.669   5.476   5.602
  376    HA   GLU  51           HA       GLU  51  13.361   3.304   4.992
  377    HB2  GLU  51           HB2      GLU  51  10.918   3.734   6.398
  378    HB3  GLU  51           HB3      GLU  51  10.687   2.393   5.286
  379    HG2  GLU  51           HG2      GLU  51  11.424   1.493   7.339
  380    HG3  GLU  51           HG3      GLU  51  12.755   1.390   6.177
  381    H    LEU  52           HN       LEU  52  10.324   4.441   3.633
  382    HA   LEU  52           HA       LEU  52  10.217   2.361   1.732
  383    HG   LEU  52           HG       LEU  52   8.159   3.626   3.705
  384    HB2  LEU  52           HB2      LEU  52   8.760   5.007   1.765
  385    HB3  LEU  52           HB3      LEU  52   8.383   3.671   0.694
  386   HD11  LEU  52          HD11      LEU  52   6.029   3.651   1.573
  387   HD12  LEU  52          HD12      LEU  52   5.761   3.535   3.312
  388   HD13  LEU  52          HD13      LEU  52   6.451   5.004   2.623
  389   HD21  LEU  52          HD21      LEU  52   7.437   1.537   1.652
  390   HD22  LEU  52          HD22      LEU  52   8.769   1.444   2.804
  391   HD23  LEU  52          HD23      LEU  52   7.102   1.442   3.383
  392    H    ILE  53           HN       ILE  53  11.660   5.533   1.712
  393    HA   ILE  53           HA       ILE  53  12.130   5.807  -1.037
  394    HB   ILE  53           HB       ILE  53  13.810   6.721   1.302
  395   HG12  ILE  53          HG12      ILE  53  11.888   8.226  -0.488
  396   HG13  ILE  53          HG13      ILE  53  11.538   7.685   1.150
  397   HG21  ILE  53          HG21      ILE  53  15.194   6.532  -0.702
  398   HG22  ILE  53          HG22      ILE  53  14.033   7.508  -1.601
  399   HG23  ILE  53          HG23      ILE  53  14.937   8.221  -0.264
  400   HD11  ILE  53          HD11      ILE  53  13.314   9.134   2.000
  401   HD12  ILE  53          HD12      ILE  53  13.637   9.688   0.357
  402   HD13  ILE  53          HD13      ILE  53  12.086  10.042   1.116
  403    H    ALA  54           HN       ALA  54  14.087   4.267   1.500
  404    HA   ALA  54           HA       ALA  54  16.102   3.301  -0.258
  405    HB1  ALA  54           HB1      ALA  54  16.482   3.570   2.143
  406    HB2  ALA  54           HB2      ALA  54  15.302   2.301   2.474
  407    HB3  ALA  54           HB3      ALA  54  16.800   1.914   1.627
  408    H    LEU  55           HN       LEU  55  12.977   2.173   0.680
  409    HA   LEU  55           HA       LEU  55  13.282  -0.566  -0.011
  410    HG   LEU  55           HG       LEU  55   9.783  -1.040   1.125
  411    HB2  LEU  55           HB2      LEU  55  11.519   0.511   1.487
  412    HB3  LEU  55           HB3      LEU  55  10.713   1.018   0.019
  413   HD11  LEU  55          HD11      LEU  55   9.313  -0.513  -1.207
  414   HD12  LEU  55          HD12      LEU  55  10.772  -1.376  -1.697
  415   HD13  LEU  55          HD13      LEU  55   9.437  -2.253  -0.948
  416   HD21  LEU  55          HD21      LEU  55  12.339  -2.277   0.110
  417   HD22  LEU  55          HD22      LEU  55  11.895  -2.052   1.801
  418   HD23  LEU  55          HD23      LEU  55  10.965  -3.152   0.784
  419    H    LEU  56           HN       LEU  56  12.215   2.325  -1.715
  420    HA   LEU  56           HA       LEU  56  11.604   0.907  -4.127
  421    HG   LEU  56           HG       LEU  56  12.808   3.963  -5.164
  422    HB2  LEU  56           HB2      LEU  56  10.316   2.765  -4.031
  423    HB3  LEU  56           HB3      LEU  56  11.490   3.660  -3.089
  424   HD11  LEU  56          HD11      LEU  56  10.301   2.894  -6.471
  425   HD12  LEU  56          HD12      LEU  56  11.619   3.703  -7.321
  426   HD13  LEU  56          HD13      LEU  56  11.904   2.158  -6.517
  427   HD21  LEU  56          HD21      LEU  56  11.472   5.748  -4.292
  428   HD22  LEU  56          HD22      LEU  56  11.306   5.733  -6.048
  429   HD23  LEU  56          HD23      LEU  56  10.016   5.083  -5.033
  430    H    ARG  57           HN       ARG  57  14.335   2.493  -2.680
  431    HA   ARG  57           HA       ARG  57  15.930   2.771  -4.989
  432    HE   ARG  57           HE       ARG  57  18.016   5.552  -3.151
  433    HB2  ARG  57           HB2      ARG  57  16.435   3.901  -2.859
  434    HB3  ARG  57           HB3      ARG  57  16.797   2.345  -2.125
  435    HG2  ARG  57           HG2      ARG  57  18.695   2.046  -3.572
  436    HG3  ARG  57           HG3      ARG  57  18.291   3.516  -4.462
  437    HD2  ARG  57           HD2      ARG  57  19.006   3.399  -1.534
  438    HD3  ARG  57           HD3      ARG  57  20.114   3.854  -2.829
  439   HH11  ARG  57          HH12      ARG  57  20.051   4.745  -0.405
  440   HH12  ARG  57          HH11      ARG  57  19.956   6.335   0.280
  441   HH21  ARG  57          HH22      ARG  57  17.902   7.646  -2.223
  442   HH22  ARG  57          HH21      ARG  57  18.731   7.959  -0.722
  443    H    GLN  58           HN       GLN  58  15.143   0.064  -2.972
  444    HA   GLN  58           HA       GLN  58  17.225  -1.675  -3.777
  445    HB2  GLN  58           HB2      GLN  58  16.163  -3.236  -2.501
  446    HB3  GLN  58           HB3      GLN  58  15.285  -1.833  -1.914
  447    HG2  GLN  58           HG2      GLN  58  13.515  -2.297  -3.561
  448    HG3  GLN  58           HG3      GLN  58  14.374  -3.764  -4.026
  449   HE21  GLN  58          HE21      GLN  58  11.718  -3.521  -2.929
  450   HE22  GLN  58          HE22      GLN  58  11.705  -4.408  -1.451
  451    H    LEU  59           HN       LEU  59  14.289  -0.628  -5.263
  452    HA   LEU  59           HA       LEU  59  13.968  -2.813  -7.077
  453    HG   LEU  59           HG       LEU  59  12.190  -0.916  -5.111
  454    HB2  LEU  59           HB2      LEU  59  12.834  -0.023  -7.292
  455    HB3  LEU  59           HB3      LEU  59  12.231  -1.472  -8.078
  456   HD11  LEU  59          HD11      LEU  59   9.976  -1.063  -7.149
  457   HD12  LEU  59          HD12      LEU  59   9.764  -0.859  -5.411
  458   HD13  LEU  59          HD13      LEU  59  10.562   0.399  -6.354
  459   HD21  LEU  59          HD21      LEU  59  11.159  -3.276  -6.677
  460   HD22  LEU  59          HD22      LEU  59  12.536  -3.283  -5.576
  461   HD23  LEU  59          HD23      LEU  59  10.912  -2.992  -4.955
  462    H    GLN  60           HN       GLN  60  15.900  -0.008  -7.006
  463    HA   GLN  60           HA       GLN  60  16.339   0.006  -9.879
  464    HB2  GLN  60           HB2      GLN  60  17.386   1.740  -7.639
  465    HB3  GLN  60           HB3      GLN  60  17.884   1.916  -9.319
  466    HG2  GLN  60           HG2      GLN  60  15.708   2.516 -10.005
  467    HG3  GLN  60           HG3      GLN  60  15.011   2.036  -8.460
  468   HE21  GLN  60          HE21      GLN  60  15.177   3.392  -6.713
  469   HE22  GLN  60          HE22      GLN  60  15.674   5.046  -6.853
  470    HA   PRO  61           HA       PRO  61  19.475  -3.074  -9.006
  471    HB2  PRO  61           HB2      PRO  61  19.751  -3.252 -11.906
  472    HB3  PRO  61           HB3      PRO  61  19.185  -4.468 -10.758
  473    HG2  PRO  61           HG2      PRO  61  17.540  -3.249 -12.534
  474    HG3  PRO  61           HG3      PRO  61  16.994  -3.820 -10.946
  475    HD2  PRO  61           HD2      PRO  61  17.683  -1.046 -11.833
  476    HD3  PRO  61           HD3      PRO  61  16.365  -1.601 -10.776
  477    H    SER  62           HN       SER  62  20.886  -1.404  -8.215
  478    HA   SER  62           HA       SER  62  22.849  -0.307  -8.118
  479    HG   SER  62           HG       SER  62  22.941  -2.903  -8.352
  480    HB2  SER  62           HB2      SER  62  23.527  -1.925 -10.589
  481    HB3  SER  62           HB3      SER  62  24.684  -1.077  -9.559
  482    H    SER  63           HN       SER  63  23.732  -0.240 -11.401
  483    HA   SER  63           HA       SER  63  22.243   2.237 -11.890
  484    HG   SER  63           HG       SER  63  24.010   2.450 -10.111
  485    HB2  SER  63           HB2      SER  63  25.231   1.925 -12.286
  486    HB3  SER  63           HB3      SER  63  24.281   3.344 -12.726
  487    H    GLN  64           HN       GLN  64  22.858  -0.771 -12.892
  488    HA   GLN  64           HA       GLN  64  22.380  -0.057 -15.697
  489    HB2  GLN  64           HB2      GLN  64  24.242  -2.264 -14.786
  490    HB3  GLN  64           HB3      GLN  64  23.751  -1.975 -16.447
  491    HG2  GLN  64           HG2      GLN  64  25.868  -1.044 -16.317
  492    HG3  GLN  64           HG3      GLN  64  24.798   0.346 -16.149
  493   HE21  GLN  64          HE21      GLN  64  25.405  -2.006 -13.632
  494   HE22  GLN  64          HE22      GLN  64  26.256  -0.930 -12.564
  495    H    GLY  65           HN       GLY  65  22.743  -3.170 -14.003
  496    HA2  GLY  65           HA1      GLY  65  19.970  -3.655 -13.728
  497    HA3  GLY  65           HA2      GLY  65  20.548  -4.386 -15.219
  498    H    GLY  66           HN       GLY  66  22.966  -5.360 -14.609
  499    HA2  GLY  66           HA1      GLY  66  22.360  -7.728 -13.202
  500    HA3  GLY  66           HA2      GLY  66  23.959  -7.223 -13.727
  501    H    SER  67           HN       SER  67  21.826  -7.586 -11.099
  502    HA   SER  67           HA       SER  67  23.567  -6.059  -9.305
  503    HG   SER  67           HG       SER  67  21.067  -5.573 -10.354
  504    HB2  SER  67           HB2      SER  67  20.921  -7.376  -8.658
  505    HB3  SER  67           HB3      SER  67  21.774  -6.165  -7.700
  506    H    LEU  68           HN       LEU  68  25.319  -7.409  -9.083
  507    HA   LEU  68           HA       LEU  68  24.931  -9.785  -7.464
  508    HG   LEU  68           HG       LEU  68  27.132 -11.624  -8.431
  509    HB2  LEU  68           HB2      LEU  68  24.724 -10.503  -9.867
  510    HB3  LEU  68           HB3      LEU  68  26.369  -9.955 -10.119
  511   HD11  LEU  68          HD11      LEU  68  25.595 -13.413  -7.784
  512   HD12  LEU  68          HD12      LEU  68  25.066 -11.846  -7.171
  513   HD13  LEU  68          HD13      LEU  68  24.270 -12.559  -8.574
  514   HD21  LEU  68          HD21      LEU  68  26.821 -13.575  -9.899
  515   HD22  LEU  68          HD22      LEU  68  25.589 -12.686 -10.795
  516   HD23  LEU  68          HD23      LEU  68  27.261 -12.122 -10.796
  517    H    LEU  69           HN       LEU  69  27.118 -10.680  -6.794
  518    HA   LEU  69           HA       LEU  69  28.957  -8.553  -6.184
  519    HG   LEU  69           HG       LEU  69  27.316 -10.819  -4.658
  520    HB2  LEU  69           HB2      LEU  69  29.421 -11.513  -5.845
  521    HB3  LEU  69           HB3      LEU  69  30.243 -10.210  -5.019
  522   HD11  LEU  69          HD11      LEU  69  28.740 -12.716  -4.020
  523   HD12  LEU  69          HD12      LEU  69  29.651 -11.653  -2.948
  524   HD13  LEU  69          HD13      LEU  69  27.943 -11.972  -2.630
  525   HD21  LEU  69          HD21      LEU  69  27.571  -9.462  -2.638
  526   HD22  LEU  69          HD22      LEU  69  29.263  -9.170  -3.039
  527   HD23  LEU  69          HD23      LEU  69  27.988  -8.536  -4.081
  528    H    ALA  70           HN       ALA  70  29.351 -11.675  -7.759
  529    HA   ALA  70           HA       ALA  70  30.703 -12.470  -9.345
  530    HB1  ALA  70           HB1      ALA  70  30.118  -9.837 -10.684
  531    HB2  ALA  70           HB2      ALA  70  30.601 -11.339 -11.473
  532    HB3  ALA  70           HB3      ALA  70  29.037 -11.230 -10.665
  533    HA   PRO  71           HA       PRO  71  34.669 -10.463  -8.331
  534    HB2  PRO  71           HB2      PRO  71  35.741 -13.118  -8.098
  535    HB3  PRO  71           HB3      PRO  71  35.511 -11.915  -6.830
  536    HG2  PRO  71           HG2      PRO  71  34.100 -14.269  -6.996
  537    HG3  PRO  71           HG3      PRO  71  33.520 -12.814  -6.168
  538    HD2  PRO  71           HD2      PRO  71  32.819 -13.861  -8.881
  539    HD3  PRO  71           HD3      PRO  71  31.783 -13.076  -7.668
  540    H    VAL  72           HN       VAL  72  33.467 -11.379 -10.964
  541    HA   VAL  72           HA       VAL  72  35.578 -12.669 -12.396
  542    HB   VAL  72           HB       VAL  72  33.334 -12.994 -13.202
  543   HG11  VAL  72          HG11      VAL  72  32.294 -10.942 -12.431
  544   HG12  VAL  72          HG12      VAL  72  33.195 -10.013 -13.627
  545   HG13  VAL  72          HG13      VAL  72  31.984 -11.182 -14.150
  546   HG21  VAL  72          HG21      VAL  72  33.590 -12.383 -15.561
  547   HG22  VAL  72          HG22      VAL  72  34.892 -11.274 -15.126
  548   HG23  VAL  72          HG23      VAL  72  35.094 -13.009 -14.880
  549    H    ALA  73           HN       ALA  73  37.427 -11.714 -12.703
  550    HA   ALA  73           HA       ALA  73  37.677  -8.855 -12.846
  551    HB1  ALA  73           HB1      ALA  73  39.374 -10.221 -11.711
  552    HB2  ALA  73           HB2      ALA  73  39.761 -11.004 -13.241
  553    HB3  ALA  73           HB3      ALA  73  40.074  -9.280 -13.030
  554    H    ARG  74           HN       ARG  74  39.389  -8.181 -14.702
  555    HA   ARG  74           HA       ARG  74  38.063  -8.854 -17.219
  556    HE   ARG  74           HE       ARG  74  36.457  -4.179 -16.501
  557    HB2  ARG  74           HB2      ARG  74  40.153  -6.757 -16.573
  558    HB3  ARG  74           HB3      ARG  74  39.363  -6.955 -18.134
  559    HG2  ARG  74           HG2      ARG  74  37.233  -6.379 -17.191
  560    HG3  ARG  74           HG3      ARG  74  37.920  -6.335 -15.565
  561    HD2  ARG  74           HD2      ARG  74  39.341  -4.466 -16.210
  562    HD3  ARG  74           HD3      ARG  74  38.689  -4.524 -17.847
  563   HH11  ARG  74          HH12      ARG  74  39.554  -2.646 -15.952
  564   HH12  ARG  74          HH11      ARG  74  38.862  -1.162 -15.369
  565   HH21  ARG  74          HH22      ARG  74  35.539  -2.225 -15.774
  566   HH22  ARG  74          HH21      ARG  74  36.574  -0.924 -15.262
  567    H    ASN  75           HN       ASN  75  40.225 -10.330 -15.512
  568    HA   ASN  75           HA       ASN  75  41.929 -11.776 -15.839
  569    HB2  ASN  75           HB2      ASN  75  41.203 -11.366 -18.741
  570    HB3  ASN  75           HB3      ASN  75  42.464 -12.480 -18.215
  571   HD21  ASN  75          HD21      ASN  75  39.052 -11.843 -18.287
  572   HD22  ASN  75          HD22      ASN  75  38.542 -13.416 -17.779
  573    H    GLY  76           HN       GLY  76  44.015 -11.424 -15.515
  574    HA2  GLY  76           HA1      GLY  76  45.086  -8.832 -16.102
  575    HA3  GLY  76           HA2      GLY  76  45.915 -10.133 -15.265
  576    H    ARG  77           HN       ARG  77  44.752  -9.297 -18.505
  577    HA   ARG  77           HA       ARG  77  46.732 -10.817 -19.865
  578    HE   ARG  77           HE       ARG  77  43.040  -9.868 -21.976
  579    HB2  ARG  77           HB2      ARG  77  46.029  -9.494 -21.858
  580    HB3  ARG  77           HB3      ARG  77  44.683 -10.239 -21.004
  581    HG2  ARG  77           HG2      ARG  77  44.236  -8.076 -19.903
  582    HG3  ARG  77           HG3      ARG  77  45.526  -7.351 -20.866
  583    HD2  ARG  77           HD2      ARG  77  43.326  -6.932 -21.849
  584    HD3  ARG  77           HD3      ARG  77  44.332  -7.915 -22.911
  585   HH11  ARG  77          HH12      ARG  77  41.671  -6.645 -22.156
  586   HH12  ARG  77          HH11      ARG  77  40.028  -7.204 -22.231
  587   HH21  ARG  77          HH22      ARG  77  40.883 -10.610 -22.073
  588   HH22  ARG  77          HH21      ARG  77  39.576  -9.463 -22.192
  589    H    LEU  78           HN       LEU  78  46.754  -7.828 -18.256
  590    HA   LEU  78           HA       LEU  78  49.358  -7.149 -19.449
  591    HG   LEU  78           HG       LEU  78  46.598  -5.938 -20.372
  592    HB2  LEU  78           HB2      LEU  78  47.364  -5.309 -18.116
  593    HB3  LEU  78           HB3      LEU  78  48.914  -4.830 -18.786
  594   HD11  LEU  78          HD11      LEU  78  46.419  -3.670 -21.264
  595   HD12  LEU  78          HD12      LEU  78  46.133  -3.716 -19.523
  596   HD13  LEU  78          HD13      LEU  78  47.677  -3.137 -20.146
  597   HD21  LEU  78          HD21      LEU  78  48.758  -6.517 -21.335
  598   HD22  LEU  78          HD22      LEU  78  47.931  -5.308 -22.321
  599   HD23  LEU  78          HD23      LEU  78  49.256  -4.825 -21.261
  600    H1   GLY   1           H1       GLY   1  -5.293  -2.043 -16.765
  601    H2   GLY   1           H2       GLY   1  -6.615  -2.804 -17.502
  602    H3   GLY   1           H3       GLY   1  -5.950  -3.448 -16.082
  603    HA2  GLY   1           HA2      GLY   1  -6.618  -1.486 -14.841
  604    HA3  GLY   1           HA1      GLY   1  -7.314  -0.824 -16.313
  605    HA   PRO   2           HA       PRO   2 -10.605  -3.342 -14.258
  606    HB2  PRO   2           HB2      PRO   2 -12.260  -1.411 -13.452
  607    HB3  PRO   2           HB3      PRO   2 -10.809  -1.814 -12.524
  608    HG2  PRO   2           HG2      PRO   2 -11.297   0.467 -14.388
  609    HG3  PRO   2           HG3      PRO   2 -10.418   0.445 -12.851
  610    HD2  PRO   2           HD2      PRO   2  -9.251   0.318 -15.378
  611    HD3  PRO   2           HD3      PRO   2  -8.469  -0.163 -13.861
  612    H    LEU   3           HN       LEU   3 -10.446  -1.055 -16.783
  613    HA   LEU   3           HA       LEU   3 -11.623  -0.657 -18.665
  614    HG   LEU   3           HG       LEU   3 -11.753  -4.032 -20.142
  615    HB2  LEU   3           HB2      LEU   3 -12.747  -3.353 -17.964
  616    HB3  LEU   3           HB3      LEU   3 -13.343  -2.457 -19.344
  617   HD11  LEU   3          HD11      LEU   3 -10.060  -2.585 -21.162
  618   HD12  LEU   3          HD12      LEU   3 -11.674  -1.878 -21.227
  619   HD13  LEU   3          HD13      LEU   3 -10.503  -1.296 -20.044
  620   HD21  LEU   3          HD21      LEU   3  -9.434  -4.116 -19.362
  621   HD22  LEU   3          HD22      LEU   3  -9.807  -2.914 -18.126
  622   HD23  LEU   3          HD23      LEU   3 -10.571  -4.503 -18.070
  623    H    GLY   4           HN       GLY   4 -14.316  -2.308 -17.091
  624    HA2  GLY   4           HA1      GLY   4 -15.578   0.197 -16.378
  625    HA3  GLY   4           HA2      GLY   4 -16.334  -0.655 -17.719
  626    H    SER   5           HN       SER   5 -18.071  -0.441 -15.936
  627    HA   SER   5           HA       SER   5 -19.531  -1.498 -14.552
  628    HG   SER   5           HG       SER   5 -18.847  -4.022 -17.076
  629    HB2  SER   5           HB2      SER   5 -17.943  -3.998 -15.184
  630    HB3  SER   5           HB3      SER   5 -19.605  -3.919 -14.602
  631    H    SER   6           HN       SER   6 -16.842  -0.523 -13.533
  632    HA   SER   6           HA       SER   6 -16.691  -2.220 -11.133
  633    HG   SER   6           HG       SER   6 -15.065  -2.528 -13.646
  634    HB2  SER   6           HB2      SER   6 -14.421  -0.695 -12.428
  635    HB3  SER   6           HB3      SER   6 -14.305  -1.745 -11.015
  636    H    ALA   7           HN       ALA   7 -18.281  -0.862 -10.176
  637    HA   ALA   7           HA       ALA   7 -17.025   1.487  -8.937
  638    HB1  ALA   7           HB1      ALA   7 -18.572   2.334 -10.619
  639    HB2  ALA   7           HB2      ALA   7 -19.874   1.368  -9.927
  640    HB3  ALA   7           HB3      ALA   7 -19.164   2.688  -8.997
  641    H    GLY   8           HN       GLY   8 -20.257   0.066  -8.601
  642    HA2  GLY   8           HA1      GLY   8 -20.071  -0.099  -5.768
  643    HA3  GLY   8           HA2      GLY   8 -21.328  -0.812  -6.772
  644    H    ALA   9           HN       ALA   9 -19.668  -2.443  -8.382
  645    HA   ALA   9           HA       ALA   9 -19.369  -4.712  -6.711
  646    HB1  ALA   9           HB1      ALA   9 -18.280  -4.258  -9.487
  647    HB2  ALA   9           HB2      ALA   9 -18.447  -5.816  -8.677
  648    HB3  ALA   9           HB3      ALA   9 -19.883  -4.884  -9.103
  649    H    LEU  10           HN       LEU  10 -17.129  -2.330  -8.010
  650    HA   LEU  10           HA       LEU  10 -14.725  -3.525  -7.179
  651    HG   LEU  10           HG       LEU  10 -13.469  -0.722  -6.139
  652    HB2  LEU  10           HB2      LEU  10 -14.698  -1.684  -8.727
  653    HB3  LEU  10           HB3      LEU  10 -15.489  -0.631  -7.571
  654   HD11  LEU  10          HD11      LEU  10 -12.621  -2.904  -6.872
  655   HD12  LEU  10          HD12      LEU  10 -12.238  -2.218  -8.452
  656   HD13  LEU  10          HD13      LEU  10 -11.397  -1.642  -7.014
  657   HD21  LEU  10          HD21      LEU  10 -13.768   1.099  -7.728
  658   HD22  LEU  10          HD22      LEU  10 -12.064   0.676  -7.569
  659   HD23  LEU  10          HD23      LEU  10 -12.973   0.148  -8.983
  660    H    LEU  11           HN       LEU  11 -16.856  -1.189  -5.587
  661    HA   LEU  11           HA       LEU  11 -15.442  -0.980  -3.168
  662    HG   LEU  11           HG       LEU  11 -18.210   1.192  -1.962
  663    HB2  LEU  11           HB2      LEU  11 -17.290   0.515  -4.005
  664    HB3  LEU  11           HB3      LEU  11 -18.430  -0.746  -3.588
  665   HD11  LEU  11          HD11      LEU  11 -19.299  -0.921  -1.361
  666   HD12  LEU  11          HD12      LEU  11 -17.741  -1.576  -0.862
  667   HD13  LEU  11          HD13      LEU  11 -18.442  -0.210   0.006
  668   HD21  LEU  11          HD21      LEU  11 -15.633  -0.217  -1.290
  669   HD22  LEU  11          HD22      LEU  11 -15.782   1.386  -2.009
  670   HD23  LEU  11          HD23      LEU  11 -16.365   1.097  -0.370
  671    H    ALA  12           HN       ALA  12 -18.146  -3.065  -4.140
  672    HA   ALA  12           HA       ALA  12 -18.592  -4.353  -1.731
  673    HB1  ALA  12           HB1      ALA  12 -20.101  -4.513  -3.638
  674    HB2  ALA  12           HB2      ALA  12 -18.917  -5.494  -4.502
  675    HB3  ALA  12           HB3      ALA  12 -19.670  -6.111  -3.030
  676    H    HIS  13           HN       HIS  13 -16.485  -5.487  -4.415
  677    HA   HIS  13           HA       HIS  13 -15.739  -7.789  -2.891
  678    HD1  HIS  13           HD1      HIS  13 -12.168  -7.971  -5.249
  679    HD2  HIS  13           HD2      HIS  13 -14.833  -5.041  -6.499
  680    HE1  HIS  13           HE1      HIS  13 -10.811  -6.365  -6.627
  681    HE2  HIS  13           HE2      HIS  13 -12.517  -4.800  -7.622
  682    HB2  HIS  13           HB2      HIS  13 -14.530  -8.536  -4.722
  683    HB3  HIS  13           HB3      HIS  13 -15.789  -7.568  -5.466
  684    H    ALA  14           HN       ALA  14 -14.423  -4.582  -3.255
  685    HA   ALA  14           HA       ALA  14 -11.856  -5.142  -2.174
  686    HB1  ALA  14           HB1      ALA  14 -13.287  -2.516  -1.908
  687    HB2  ALA  14           HB2      ALA  14 -11.555  -2.814  -1.990
  688    HB3  ALA  14           HB3      ALA  14 -12.559  -3.046  -3.422
  689    H    ALA  15           HN       ALA  15 -14.906  -4.039  -0.742
  690    HA   ALA  15           HA       ALA  15 -14.017  -3.933   1.930
  691    HB1  ALA  15           HB1      ALA  15 -16.795  -4.458   0.874
  692    HB2  ALA  15           HB2      ALA  15 -16.390  -3.993   2.527
  693    HB3  ALA  15           HB3      ALA  15 -16.088  -2.873   1.199
  694    H    SER  16           HN       SER  16 -15.425  -6.519  -0.003
  695    HA   SER  16           HA       SER  16 -15.750  -8.415   2.034
  696    HG   SER  16           HG       SER  16 -17.064  -7.672  -0.668
  697    HB2  SER  16           HB2      SER  16 -15.199  -8.869  -0.911
  698    HB3  SER  16           HB3      SER  16 -15.833 -10.076   0.209
  699    H    LEU  17           HN       LEU  17 -12.963  -7.616   0.017
  700    HA   LEU  17           HA       LEU  17 -11.371  -9.757   1.119
  701    HG   LEU  17           HG       LEU  17 -11.984  -8.871  -1.878
  702    HB2  LEU  17           HB2      LEU  17 -10.575  -7.385  -0.572
  703    HB3  LEU  17           HB3      LEU  17  -9.519  -8.716  -0.146
  704   HD11  LEU  17          HD11      LEU  17 -10.380  -9.444  -3.640
  705   HD12  LEU  17          HD12      LEU  17 -10.083  -7.835  -2.977
  706   HD13  LEU  17          HD13      LEU  17  -9.053  -9.186  -2.507
  707   HD21  LEU  17          HD21      LEU  17 -11.391 -11.213  -2.215
  708   HD22  LEU  17          HD22      LEU  17 -10.061 -11.050  -1.067
  709   HD23  LEU  17          HD23      LEU  17 -11.726 -10.889  -0.514
  710    H    GLY  18           HN       GLY  18 -12.033  -6.443   1.836
  711    HA2  GLY  18           HA1      GLY  18 -11.622  -5.389   3.873
  712    HA3  GLY  18           HA2      GLY  18 -10.510  -6.682   4.295
  713    H    VAL  19           HN       VAL  19 -10.342  -4.909   1.276
  714    HA   VAL  19           HA       VAL  19  -7.626  -4.127   1.803
  715    HB   VAL  19           HB       VAL  19  -9.423  -3.251  -0.474
  716   HG11  VAL  19          HG11      VAL  19  -7.478  -1.813  -0.192
  717   HG12  VAL  19          HG12      VAL  19  -6.421  -3.225  -0.186
  718   HG13  VAL  19          HG13      VAL  19  -7.314  -2.799  -1.646
  719   HG21  VAL  19          HG21      VAL  19  -9.260  -5.661  -0.460
  720   HG22  VAL  19          HG22      VAL  19  -8.276  -5.017  -1.773
  721   HG23  VAL  19          HG23      VAL  19  -7.507  -5.573  -0.287
  722    H    ARG  20           HN       ARG  20  -6.962  -2.315   2.774
  723    HA   ARG  20           HA       ARG  20  -8.903  -0.111   3.080
  724    HE   ARG  20           HE       ARG  20 -10.118  -3.918   6.341
  725    HB2  ARG  20           HB2      ARG  20  -7.040  -1.042   5.265
  726    HB3  ARG  20           HB3      ARG  20  -8.377   0.094   5.399
  727    HG2  ARG  20           HG2      ARG  20  -9.977  -1.662   5.053
  728    HG3  ARG  20           HG3      ARG  20  -8.692  -2.823   4.732
  729    HD2  ARG  20           HD2      ARG  20  -7.858  -2.347   7.070
  730    HD3  ARG  20           HD3      ARG  20  -9.374  -1.480   7.334
  731   HH11  ARG  20          HH12      ARG  20  -8.279  -2.829   9.123
  732   HH12  ARG  20          HH11      ARG  20  -8.691  -4.219  10.091
  733   HH21  ARG  20          HH22      ARG  20 -10.632  -5.744   7.596
  734   HH22  ARG  20          HH21      ARG  20 -10.017  -5.887   9.216
  735    H    LEU  21           HN       LEU  21  -8.109   1.844   2.619
  736    HA   LEU  21           HA       LEU  21  -5.229   2.307   2.904
  737    HG   LEU  21           HG       LEU  21  -4.649   1.205   0.838
  738    HB2  LEU  21           HB2      LEU  21  -6.917   3.107   0.535
  739    HB3  LEU  21           HB3      LEU  21  -5.331   3.771   0.865
  740   HD11  LEU  21          HD11      LEU  21  -5.892  -0.010  -0.875
  741   HD12  LEU  21          HD12      LEU  21  -6.920   0.382   0.504
  742   HD13  LEU  21          HD13      LEU  21  -7.047   1.318  -0.983
  743   HD21  LEU  21          HD21      LEU  21  -5.122   2.886  -1.617
  744   HD22  LEU  21          HD22      LEU  21  -3.700   2.935  -0.574
  745   HD23  LEU  21          HD23      LEU  21  -4.050   1.488  -1.519
  746    H    TRP  22           HN       TRP  22  -4.828   4.010   4.131
  747    HA   TRP  22           HA       TRP  22  -6.632   6.298   4.027
  748    HD1  TRP  22           HD1      TRP  22  -5.017   6.560   8.250
  749    HE1  TRP  22           HE1      TRP  22  -3.670   4.786   9.549
  750    HE3  TRP  22           HE3      TRP  22  -6.314   2.423   5.535
  751    HZ2  TRP  22           HZ2      TRP  22  -3.223   2.001   9.421
  752    HZ3  TRP  22           HZ3      TRP  22  -5.379   0.246   6.188
  753    HH2  TRP  22           HH2      TRP  22  -3.867   0.040   8.089
  754    HB2  TRP  22           HB2      TRP  22  -6.846   6.484   6.430
  755    HB3  TRP  22           HB3      TRP  22  -7.423   4.904   5.924
  756    H    VAL  23           HN       VAL  23  -5.610   8.222   4.223
  757    HA   VAL  23           HA       VAL  23  -2.701   8.087   4.454
  758    HB   VAL  23           HB       VAL  23  -3.448   9.196   2.450
  759   HG11  VAL  23          HG11      VAL  23  -5.662   9.896   3.117
  760   HG12  VAL  23          HG12      VAL  23  -4.982  11.078   4.236
  761   HG13  VAL  23          HG13      VAL  23  -4.754  11.275   2.499
  762   HG21  VAL  23          HG21      VAL  23  -2.382  11.198   4.441
  763   HG22  VAL  23          HG22      VAL  23  -1.429  10.065   3.483
  764   HG23  VAL  23          HG23      VAL  23  -2.321  11.361   2.686
  765    H    GLU  24           HN       GLU  24  -1.785   8.562   6.298
  766    HA   GLU  24           HA       GLU  24  -3.220  10.345   8.150
  767    HB2  GLU  24           HB2      GLU  24  -2.982   8.025   8.969
  768    HB3  GLU  24           HB3      GLU  24  -1.235   8.163   8.825
  769    HG2  GLU  24           HG2      GLU  24  -1.186   9.872  10.519
  770    HG3  GLU  24           HG3      GLU  24  -2.948   9.883  10.602
  771    H    GLY  25           HN       GLY  25  -2.363  12.274   8.246
  772    HA2  GLY  25           HA1      GLY  25  -0.779  13.940   8.414
  773    HA3  GLY  25           HA2      GLY  25   0.452  12.691   8.584
  774    H    GLU  26           HN       GLU  26   1.627  12.077   6.848
  775    HA   GLU  26           HA       GLU  26   1.053  13.469   4.314
  776    HB2  GLU  26           HB2      GLU  26   3.496  13.378   3.905
  777    HB3  GLU  26           HB3      GLU  26   3.083  14.306   5.342
  778    HG2  GLU  26           HG2      GLU  26   3.829  12.618   6.785
  779    HG3  GLU  26           HG3      GLU  26   3.855  11.413   5.499
  780    H    ARG  27           HN       ARG  27   1.257  10.418   5.780
  781    HA   ARG  27           HA       ARG  27   2.207   9.192   3.280
  782    HE   ARG  27           HE       ARG  27   5.165   9.550   4.100
  783    HB2  ARG  27           HB2      ARG  27   3.617   9.137   5.491
  784    HB3  ARG  27           HB3      ARG  27   2.526   7.827   5.917
  785    HG2  ARG  27           HG2      ARG  27   4.707   7.153   4.871
  786    HG3  ARG  27           HG3      ARG  27   3.257   6.506   4.088
  787    HD2  ARG  27           HD2      ARG  27   4.900   7.298   2.453
  788    HD3  ARG  27           HD3      ARG  27   3.406   8.233   2.375
  789   HH11  ARG  27          HH12      ARG  27   4.888   8.769   0.703
  790   HH12  ARG  27          HH11      ARG  27   5.788  10.157   0.181
  791   HH21  ARG  27          HH22      ARG  27   6.334  11.394   3.417
  792   HH22  ARG  27          HH21      ARG  27   6.598  11.646   1.706
  793    H    LEU  28           HN       LEU  28   0.948   7.859   2.292
  794    HA   LEU  28           HA       LEU  28  -1.603   7.046   3.302
  795    HG   LEU  28           HG       LEU  28  -2.357   6.012  -0.232
  796    HB2  LEU  28           HB2      LEU  28  -1.014   7.574   0.908
  797    HB3  LEU  28           HB3      LEU  28  -0.091   6.090   0.856
  798   HD11  LEU  28          HD11      LEU  28  -1.881   4.067   2.012
  799   HD12  LEU  28          HD12      LEU  28  -2.949   3.810   0.633
  800   HD13  LEU  28          HD13      LEU  28  -1.208   3.970   0.385
  801   HD21  LEU  28          HD21      LEU  28  -4.311   5.746   1.200
  802   HD22  LEU  28          HD22      LEU  28  -3.323   6.113   2.615
  803   HD23  LEU  28          HD23      LEU  28  -3.587   7.344   1.379
  804    H    ARG  29           HN       ARG  29  -2.000   5.309   4.555
  805    HA   ARG  29           HA       ARG  29   0.033   3.191   4.703
  806    HE   ARG  29           HE       ARG  29   2.071   5.828   7.693
  807    HB2  ARG  29           HB2      ARG  29  -2.139   4.081   6.562
  808    HB3  ARG  29           HB3      ARG  29  -1.555   2.425   6.647
  809    HG2  ARG  29           HG2      ARG  29  -0.349   3.626   8.264
  810    HG3  ARG  29           HG3      ARG  29   0.762   3.389   6.916
  811    HD2  ARG  29           HD2      ARG  29   0.338   5.654   6.149
  812    HD3  ARG  29           HD3      ARG  29  -0.834   5.893   7.444
  813   HH11  ARG  29          HH12      ARG  29  -1.021   5.862   9.311
  814   HH12  ARG  29          HH11      ARG  29  -0.404   6.583  10.767
  815   HH21  ARG  29          HH22      ARG  29   2.910   6.724   9.602
  816   HH22  ARG  29          HH21      ARG  29   1.849   7.050  10.939
  817    H    PHE  30           HN       PHE  30  -0.513   1.015   4.431
  818    HA   PHE  30           HA       PHE  30  -2.993   0.616   2.893
  819    HD1  PHE  30           HD1      PHE  30  -3.323  -1.908   1.825
  820    HD2  PHE  30           HD2      PHE  30  -0.840   0.695  -0.449
  821    HE1  PHE  30           HE1      PHE  30  -4.597  -2.469  -0.203
  822    HE2  PHE  30           HE2      PHE  30  -2.105   0.136  -2.481
  823    HZ   PHE  30           HZ       PHE  30  -3.987  -1.445  -2.362
  824    HB2  PHE  30           HB2      PHE  30  -0.536   0.581   1.799
  825    HB3  PHE  30           HB3      PHE  30  -0.625  -1.091   2.333
  826    H    GLN  31           HN       GLN  31  -4.263  -0.995   3.547
  827    HA   GLN  31           HA       GLN  31  -3.123  -3.090   5.279
  828    HB2  GLN  31           HB2      GLN  31  -4.533  -1.577   6.598
  829    HB3  GLN  31           HB3      GLN  31  -5.856  -1.802   5.465
  830    HG2  GLN  31           HG2      GLN  31  -6.330  -3.128   7.356
  831    HG3  GLN  31           HG3      GLN  31  -5.845  -4.229   6.068
  832   HE21  GLN  31          HE21      GLN  31  -4.975  -2.801   9.101
  833   HE22  GLN  31          HE22      GLN  31  -3.680  -3.885   9.478
  834    H    ALA  32           HN       ALA  32  -3.149  -4.962   4.192
  835    HA   ALA  32           HA       ALA  32  -5.551  -5.756   2.777
  836    HB1  ALA  32           HB1      ALA  32  -4.306  -4.533   1.061
  837    HB2  ALA  32           HB2      ALA  32  -2.910  -5.577   1.329
  838    HB3  ALA  32           HB3      ALA  32  -4.405  -6.254   0.682
  839    HA   PRO  33           HA       PRO  33  -4.219  -9.548   4.761
  840    HB2  PRO  33           HB2      PRO  33  -6.368 -10.661   3.049
  841    HB3  PRO  33           HB3      PRO  33  -6.145 -10.784   4.797
  842    HG2  PRO  33           HG2      PRO  33  -8.029  -9.206   3.776
  843    HG3  PRO  33           HG3      PRO  33  -7.093  -8.706   5.197
  844    HD2  PRO  33           HD2      PRO  33  -6.798  -7.862   2.336
  845    HD3  PRO  33           HD3      PRO  33  -6.694  -6.882   3.815
  846    HA   PRO  34           HA       PRO  34  -1.536 -11.395   1.808
  847    HB2  PRO  34           HB2      PRO  34  -1.697 -14.038   2.620
  848    HB3  PRO  34           HB3      PRO  34  -0.649 -12.816   3.347
  849    HG2  PRO  34           HG2      PRO  34  -3.310 -13.819   4.256
  850    HG3  PRO  34           HG3      PRO  34  -1.883 -13.388   5.216
  851    HD2  PRO  34           HD2      PRO  34  -4.003 -11.751   5.025
  852    HD3  PRO  34           HD3      PRO  34  -2.346 -11.117   5.107
  853    H    GLY  35           HN       GLY  35  -2.029 -11.699  -0.256
  854    HA2  GLY  35           HA1      GLY  35  -2.600 -13.410  -1.894
  855    HA3  GLY  35           HA2      GLY  35  -4.010 -13.783  -0.917
  856    H    VAL  36           HN       VAL  36  -4.536 -10.860  -0.492
  857    HA   VAL  36           HA       VAL  36  -6.108 -10.598  -2.926
  858    HB   VAL  36           HB       VAL  36  -7.419  -8.957  -1.811
  859   HG11  VAL  36          HG11      VAL  36  -6.693 -11.105   0.173
  860   HG12  VAL  36          HG12      VAL  36  -8.181 -10.158   0.166
  861   HG13  VAL  36          HG13      VAL  36  -7.836 -11.268  -1.159
  862   HG21  VAL  36          HG21      VAL  36  -5.354  -8.940   0.393
  863   HG22  VAL  36          HG22      VAL  36  -5.629  -7.652  -0.781
  864   HG23  VAL  36          HG23      VAL  36  -6.879  -8.053   0.396
  865    H    MET  37           HN       MET  37  -3.177  -9.418  -1.744
  866    HA   MET  37           HA       MET  37  -3.388  -6.771  -2.869
  867    HB2  MET  37           HB2      MET  37  -2.080  -7.359  -0.781
  868    HB3  MET  37           HB3      MET  37  -0.899  -8.128  -1.828
  869    HG2  MET  37           HG2      MET  37   0.005  -6.037  -1.420
  870    HG3  MET  37           HG3      MET  37  -0.737  -5.862  -3.006
  871    HE1  MET  37           HE1      MET  37  -3.810  -5.453  -2.437
  872    HE2  MET  37           HE2      MET  37  -3.894  -3.700  -2.251
  873    HE3  MET  37           HE3      MET  37  -2.874  -4.408  -3.503
  874    H    THR  38           HN       THR  38  -3.440  -9.359  -4.517
  875    HA   THR  38           HA       THR  38  -1.270  -9.575  -6.208
  876    HB   THR  38           HB       THR  38  -3.004 -10.213  -7.968
  877    HG1  THR  38           HG1      THR  38  -4.590  -8.979  -6.189
  878   HG21  THR  38          HG21      THR  38  -1.930 -11.862  -6.508
  879   HG22  THR  38          HG22      THR  38  -3.616 -12.284  -6.814
  880   HG23  THR  38          HG23      THR  38  -3.152 -11.566  -5.272
  881    HA   PRO  39           HA       PRO  39  -0.652  -5.776  -8.321
  882    HB2  PRO  39           HB2      PRO  39  -0.489  -7.486 -10.764
  883    HB3  PRO  39           HB3      PRO  39   0.629  -6.247 -10.176
  884    HG2  PRO  39           HG2      PRO  39   1.203  -8.822  -9.867
  885    HG3  PRO  39           HG3      PRO  39   1.559  -7.655  -8.581
  886    HD2  PRO  39           HD2      PRO  39  -0.624  -9.675  -8.754
  887    HD3  PRO  39           HD3      PRO  39   0.277  -9.101  -7.336
  888    H    GLU  40           HN       GLU  40  -2.880  -8.079  -9.876
  889    HA   GLU  40           HA       GLU  40  -4.141  -6.220 -11.555
  890    HB2  GLU  40           HB2      GLU  40  -4.462  -8.590 -11.899
  891    HB3  GLU  40           HB3      GLU  40  -5.240  -8.748 -10.331
  892    HG2  GLU  40           HG2      GLU  40  -7.114  -7.459 -11.049
  893    HG3  GLU  40           HG3      GLU  40  -6.314  -7.043 -12.561
  894    H    LEU  41           HN       LEU  41  -4.759  -7.073  -8.175
  895    HA   LEU  41           HA       LEU  41  -7.224  -5.715  -7.932
  896    HG   LEU  41           HG       LEU  41  -7.485  -4.710  -5.555
  897    HB2  LEU  41           HB2      LEU  41  -6.325  -7.323  -6.247
  898    HB3  LEU  41           HB3      LEU  41  -5.159  -6.103  -5.764
  899   HD11  LEU  41          HD11      LEU  41  -8.102  -7.538  -4.737
  900   HD12  LEU  41          HD12      LEU  41  -9.094  -6.124  -4.391
  901   HD13  LEU  41          HD13      LEU  41  -8.852  -6.644  -6.057
  902   HD21  LEU  41          HD21      LEU  41  -6.167  -6.391  -3.432
  903   HD22  LEU  41          HD22      LEU  41  -5.712  -4.756  -3.910
  904   HD23  LEU  41          HD23      LEU  41  -7.272  -5.046  -3.141
  905    H    GLN  42           HN       GLN  42  -3.881  -4.689  -7.486
  906    HA   GLN  42           HA       GLN  42  -4.364  -2.078  -6.594
  907    HB2  GLN  42           HB2      GLN  42  -2.144  -3.105  -6.530
  908    HB3  GLN  42           HB3      GLN  42  -2.090  -3.149  -8.286
  909    HG2  GLN  42           HG2      GLN  42  -0.773  -1.326  -7.723
  910    HG3  GLN  42           HG3      GLN  42  -2.315  -0.610  -8.179
  911   HE21  GLN  42          HE21      GLN  42  -3.573  -1.409  -5.618
  912   HE22  GLN  42          HE22      GLN  42  -2.943  -0.315  -4.440
  913    H    SER  43           HN       SER  43  -4.178  -3.466  -9.815
  914    HA   SER  43           HA       SER  43  -4.480  -1.052 -11.256
  915    HG   SER  43           HG       SER  43  -4.428  -1.608 -13.636
  916    HB2  SER  43           HB2      SER  43  -3.587  -3.169 -12.207
  917    HB3  SER  43           HB3      SER  43  -5.199  -3.872 -12.097
  918    H    ARG  44           HN       ARG  44  -6.747  -3.323  -9.830
  919    HA   ARG  44           HA       ARG  44  -9.085  -2.252 -11.068
  920    HE   ARG  44           HE       ARG  44  -8.374  -6.445 -12.260
  921    HB2  ARG  44           HB2      ARG  44  -8.842  -3.826  -8.492
  922    HB3  ARG  44           HB3      ARG  44 -10.329  -3.537  -9.385
  923    HG2  ARG  44           HG2      ARG  44  -7.952  -5.113 -10.357
  924    HG3  ARG  44           HG3      ARG  44  -9.483  -5.779  -9.784
  925    HD2  ARG  44           HD2      ARG  44 -10.668  -4.840 -11.627
  926    HD3  ARG  44           HD3      ARG  44  -9.264  -3.894 -12.120
  927   HH11  ARG  44          HH12      ARG  44 -11.249  -4.910 -13.497
  928   HH12  ARG  44          HH11      ARG  44 -11.274  -5.827 -14.971
  929   HH21  ARG  44          HH22      ARG  44  -8.395  -7.692 -14.179
  930   HH22  ARG  44          HH21      ARG  44  -9.632  -7.400 -15.368
  931    H    LEU  45           HN       LEU  45  -7.465  -1.753  -7.960
  932    HA   LEU  45           HA       LEU  45  -9.237   0.135  -6.870
  933    HG   LEU  45           HG       LEU  45  -7.392  -2.156  -5.848
  934    HB2  LEU  45           HB2      LEU  45  -6.237  -0.052  -6.519
  935    HB3  LEU  45           HB3      LEU  45  -7.329   0.840  -5.479
  936   HD11  LEU  45          HD11      LEU  45  -6.393  -2.271  -3.626
  937   HD12  LEU  45          HD12      LEU  45  -5.328  -1.442  -4.761
  938   HD13  LEU  45          HD13      LEU  45  -6.261  -0.513  -3.587
  939   HD21  LEU  45          HD21      LEU  45  -8.791  -0.359  -3.868
  940   HD22  LEU  45          HD22      LEU  45  -9.550  -1.208  -5.214
  941   HD23  LEU  45          HD23      LEU  45  -8.845  -2.123  -3.882
  942    H    GLY  46           HN       GLY  46  -6.436   0.472  -8.989
  943    HA2  GLY  46           HA1      GLY  46  -6.223   1.975 -10.747
  944    HA3  GLY  46           HA2      GLY  46  -7.617   2.856 -10.140
  945    H    GLY  47           HN       GLY  47  -6.302   2.867  -7.415
  946    HA2  GLY  47           HA1      GLY  47  -4.888   4.208  -6.192
  947    HA3  GLY  47           HA2      GLY  47  -3.897   4.374  -7.633
  948    H    ALA  48           HN       ALA  48  -7.183   5.214  -8.024
  949    HA   ALA  48           HA       ALA  48  -6.505   7.957  -8.530
  950    HB1  ALA  48           HB1      ALA  48  -8.181   6.801  -9.880
  951    HB2  ALA  48           HB2      ALA  48  -9.208   6.611  -8.460
  952    HB3  ALA  48           HB3      ALA  48  -8.868   8.221  -9.095
  953    H    ARG  49           HN       ARG  49  -7.363   9.792  -7.430
  954    HA   ARG  49           HA       ARG  49  -7.122   9.528  -4.632
  955    HE   ARG  49           HE       ARG  49  -5.818  13.346  -7.005
  956    HB2  ARG  49           HB2      ARG  49  -7.607  11.931  -4.531
  957    HB3  ARG  49           HB3      ARG  49  -6.428  11.564  -5.781
  958    HG2  ARG  49           HG2      ARG  49  -8.232  11.699  -7.462
  959    HG3  ARG  49           HG3      ARG  49  -9.346  12.179  -6.181
  960    HD2  ARG  49           HD2      ARG  49  -8.648  14.179  -7.217
  961    HD3  ARG  49           HD3      ARG  49  -7.758  14.089  -5.697
  962   HH11  ARG  49          HH12      ARG  49  -8.460  14.888  -8.716
  963   HH12  ARG  49          HH11      ARG  49  -7.464  15.431 -10.032
  964   HH21  ARG  49          HH22      ARG  49  -4.503  14.055  -8.703
  965   HH22  ARG  49          HH21      ARG  49  -5.195  14.971 -10.016
  966    H    HIS  50           HN       HIS  50  -9.965  10.218  -6.664
  967    HA   HIS  50           HA       HIS  50 -11.761  10.394  -4.494
  968    HD1  HIS  50           HD1      HIS  50 -13.130   8.064  -8.028
  969    HD2  HIS  50           HD2      HIS  50 -10.972  11.550  -8.715
  970    HE1  HIS  50           HE1      HIS  50 -12.249   7.868 -10.373
  971    HE2  HIS  50           HE2      HIS  50 -10.789   9.894 -10.693
  972    HB2  HIS  50           HB2      HIS  50 -13.535  10.009  -6.297
  973    HB3  HIS  50           HB3      HIS  50 -12.516  11.433  -6.448
  974    H    GLU  51           HN       GLU  51 -10.622   7.679  -6.384
  975    HA   GLU  51           HA       GLU  51 -12.596   5.823  -5.602
  976    HB2  GLU  51           HB2      GLU  51 -10.050   5.762  -7.003
  977    HB3  GLU  51           HB3      GLU  51 -10.244   4.361  -5.957
  978    HG2  GLU  51           HG2      GLU  51 -11.053   3.821  -8.139
  979    HG3  GLU  51           HG3      GLU  51 -12.419   3.908  -7.031
  980    H    LEU  52           HN       LEU  52  -9.458   6.709  -4.231
  981    HA   LEU  52           HA       LEU  52  -9.597   4.705  -2.196
  982    HG   LEU  52           HG       LEU  52  -7.426   5.503  -4.308
  983    HB2  LEU  52           HB2      LEU  52  -7.774   7.083  -2.481
  984    HB3  LEU  52           HB3      LEU  52  -7.574   5.796  -1.307
  985   HD11  LEU  52          HD11      LEU  52  -5.301   5.298  -2.185
  986   HD12  LEU  52          HD12      LEU  52  -5.079   5.010  -3.912
  987   HD13  LEU  52          HD13      LEU  52  -5.499   6.622  -3.334
  988   HD21  LEU  52          HD21      LEU  52  -7.020   3.444  -2.143
  989   HD22  LEU  52          HD22      LEU  52  -8.392   3.520  -3.248
  990   HD23  LEU  52          HD23      LEU  52  -6.775   3.196  -3.873
  991    H    ILE  53           HN       ILE  53 -10.599   8.029  -2.454
  992    HA   ILE  53           HA       ILE  53 -10.988   8.546   0.294
  993    HB   ILE  53           HB       ILE  53 -12.484   9.602  -2.113
  994   HG12  ILE  53          HG12      ILE  53 -10.359  10.874  -0.367
  995   HG13  ILE  53          HG13      ILE  53 -10.080  10.194  -1.967
  996   HG21  ILE  53          HG21      ILE  53 -13.908   9.760  -0.151
  997   HG22  ILE  53          HG22      ILE  53 -12.609  10.545   0.748
  998   HG23  ILE  53          HG23      ILE  53 -13.343  11.361  -0.635
  999   HD11  ILE  53          HD11      ILE  53 -11.581  11.864  -2.931
 1000   HD12  ILE  53          HD12      ILE  53 -11.846  12.543  -1.326
 1001   HD13  ILE  53          HD13      ILE  53 -10.243  12.609  -2.057
 1002    H    ALA  54           HN       ALA  54 -13.151   7.201  -2.188
 1003    HA   ALA  54           HA       ALA  54 -15.288   6.628  -0.407
 1004    HB1  ALA  54           HB1      ALA  54 -15.602   6.805  -2.834
 1005    HB2  ALA  54           HB2      ALA  54 -14.631   5.352  -3.063
 1006    HB3  ALA  54           HB3      ALA  54 -16.178   5.255  -2.221
 1007    H    LEU  55           HN       LEU  55 -12.435   4.889  -1.446
 1008    HA   LEU  55           HA       LEU  55 -13.034   2.358  -0.380
 1009    HG   LEU  55           HG       LEU  55  -9.632   1.346  -1.461
 1010    HB2  LEU  55           HB2      LEU  55 -11.119   3.122  -1.941
 1011    HB3  LEU  55           HB3      LEU  55 -10.271   3.552  -0.474
 1012   HD11  LEU  55          HD11      LEU  55  -9.150   1.808   0.857
 1013   HD12  LEU  55          HD12      LEU  55 -10.769   1.289   1.326
 1014   HD13  LEU  55          HD13      LEU  55  -9.628   0.122   0.661
 1015   HD21  LEU  55          HD21      LEU  55 -12.393   0.534  -0.566
 1016   HD22  LEU  55          HD22      LEU  55 -11.825   0.639  -2.233
 1017   HD23  LEU  55          HD23      LEU  55 -11.131  -0.556  -1.138
 1018    H    LEU  56           HN       LEU  56 -11.375   5.165   1.028
 1019    HA   LEU  56           HA       LEU  56 -11.003   4.033   3.601
 1020    HG   LEU  56           HG       LEU  56 -11.678   7.019   4.913
 1021    HB2  LEU  56           HB2      LEU  56  -9.652   5.872   2.995
 1022    HB3  LEU  56           HB3      LEU  56 -11.032   6.845   2.534
 1023   HD11  LEU  56          HD11      LEU  56  -9.084   5.567   5.410
 1024   HD12  LEU  56          HD12      LEU  56 -10.079   6.346   6.641
 1025   HD13  LEU  56          HD13      LEU  56 -10.707   4.961   5.747
 1026   HD21  LEU  56          HD21      LEU  56 -10.287   8.724   3.822
 1027   HD22  LEU  56          HD22      LEU  56  -9.933   8.572   5.543
 1028   HD23  LEU  56          HD23      LEU  56  -8.840   7.867   4.353
 1029    H    ARG  57           HN       ARG  57 -13.646   5.701   2.064
 1030    HA   ARG  57           HA       ARG  57 -15.103   6.356   4.391
 1031    HE   ARG  57           HE       ARG  57 -16.746   9.265   2.394
 1032    HB2  ARG  57           HB2      ARG  57 -15.503   7.389   2.186
 1033    HB3  ARG  57           HB3      ARG  57 -16.122   5.856   1.590
 1034    HG2  ARG  57           HG2      ARG  57 -17.988   5.961   3.091
 1035    HG3  ARG  57           HG3      ARG  57 -17.330   7.403   3.870
 1036    HD2  ARG  57           HD2      ARG  57 -18.134   7.219   0.969
 1037    HD3  ARG  57           HD3      ARG  57 -19.134   7.902   2.249
 1038   HH11  ARG  57          HH12      ARG  57 -19.171   8.723  -0.093
 1039   HH12  ARG  57          HH11      ARG  57 -18.926  10.275  -0.849
 1040   HH21  ARG  57          HH22      ARG  57 -16.432  11.309   1.412
 1041   HH22  ARG  57          HH21      ARG  57 -17.366  11.744   0.008
 1042    H    GLN  58           HN       GLN  58 -14.834   3.426   2.502
 1043    HA   GLN  58           HA       GLN  58 -17.148   2.129   3.514
 1044    HB2  GLN  58           HB2      GLN  58 -16.466   0.284   2.331
 1045    HB3  GLN  58           HB3      GLN  58 -15.517   1.510   1.506
 1046    HG2  GLN  58           HG2      GLN  58 -13.604   0.954   2.988
 1047    HG3  GLN  58           HG3      GLN  58 -14.564  -0.360   3.662
 1048   HE21  GLN  58          HE21      GLN  58 -12.048  -0.505   2.291
 1049   HE22  GLN  58          HE22      GLN  58 -12.296  -1.500   0.905
 1050    H    LEU  59           HN       LEU  59 -14.013   2.726   4.799
 1051    HA   LEU  59           HA       LEU  59 -13.944   0.564   6.679
 1052    HG   LEU  59           HG       LEU  59 -11.937   2.079   4.587
 1053    HB2  LEU  59           HB2      LEU  59 -12.384   3.148   6.726
 1054    HB3  LEU  59           HB3      LEU  59 -11.985   1.667   7.574
 1055   HD11  LEU  59          HD11      LEU  59  -9.736   1.640   6.599
 1056   HD12  LEU  59          HD12      LEU  59  -9.525   1.713   4.849
 1057   HD13  LEU  59          HD13      LEU  59 -10.076   3.137   5.731
 1058   HD21  LEU  59          HD21      LEU  59 -11.307  -0.370   6.226
 1059   HD22  LEU  59          HD22      LEU  59 -12.670  -0.172   5.121
 1060   HD23  LEU  59          HD23      LEU  59 -11.020  -0.193   4.495
 1061    H    GLN  60           HN       GLN  60 -15.441   3.602   6.544
 1062    HA   GLN  60           HA       GLN  60 -15.784   3.788   9.427
 1063    HB2  GLN  60           HB2      GLN  60 -16.675   5.566   7.148
 1064    HB3  GLN  60           HB3      GLN  60 -17.044   5.882   8.841
 1065    HG2  GLN  60           HG2      GLN  60 -14.767   6.203   9.378
 1066    HG3  GLN  60           HG3      GLN  60 -14.237   5.553   7.830
 1067   HE21  GLN  60          HE21      GLN  60 -14.306   6.840   6.015
 1068   HE22  GLN  60          HE22      GLN  60 -14.558   8.551   6.093
 1069    HA   PRO  61           HA       PRO  61 -19.361   1.180   8.726
 1070    HB2  PRO  61           HB2      PRO  61 -19.543   1.053  11.628
 1071    HB3  PRO  61           HB3      PRO  61 -19.147  -0.227  10.481
 1072    HG2  PRO  61           HG2      PRO  61 -17.327   0.815  12.200
 1073    HG3  PRO  61           HG3      PRO  61 -16.892   0.172  10.606
 1074    HD2  PRO  61           HD2      PRO  61 -17.274   3.018  11.463
 1075    HD3  PRO  61           HD3      PRO  61 -16.021   2.312  10.417
 1076    H    SER  62           HN       SER  62 -20.523   3.081   7.982
 1077    HA   SER  62           HA       SER  62 -22.235   4.571   8.023
 1078    HG   SER  62           HG       SER  62 -22.663   1.863   8.409
 1079    HB2  SER  62           HB2      SER  62 -23.108   3.065  10.507
 1080    HB3  SER  62           HB3      SER  62 -24.130   4.035   9.444
 1081    H    SER  63           HN       SER  63 -23.517   5.376  10.701
 1082    HA   SER  63           HA       SER  63 -21.427   7.301  11.407
 1083    HG   SER  63           HG       SER  63 -23.201   7.805   9.783
 1084    HB2  SER  63           HB2      SER  63 -24.375   7.336  12.085
 1085    HB3  SER  63           HB3      SER  63 -23.223   8.639  12.378
 1086    H    GLN  64           HN       GLN  64 -22.580   4.390  12.506
 1087    HA   GLN  64           HA       GLN  64 -21.858   5.038  15.286
 1088    HB2  GLN  64           HB2      GLN  64 -23.950   3.055  14.373
 1089    HB3  GLN  64           HB3      GLN  64 -23.417   3.257  16.032
 1090    HG2  GLN  64           HG2      GLN  64 -25.410   4.434  15.939
 1091    HG3  GLN  64           HG3      GLN  64 -24.178   5.683  15.793
 1092   HE21  GLN  64          HE21      GLN  64 -25.036   3.523  13.178
 1093   HE22  GLN  64          HE22      GLN  64 -25.798   4.725  12.186
 1094    H    GLY  65           HN       GLY  65 -22.567   1.962  13.673
 1095    HA2  GLY  65           HA1      GLY  65 -19.912   1.108  13.347
 1096    HA3  GLY  65           HA2      GLY  65 -20.467   0.583  14.931
 1097    H    GLY  66           HN       GLY  66 -23.019  -0.136  14.568
 1098    HA2  GLY  66           HA1      GLY  66 -22.859  -2.631  13.275
 1099    HA3  GLY  66           HA2      GLY  66 -24.337  -1.865  13.838
 1100    H    SER  67           HN       SER  67 -22.369  -2.604  11.133
 1101    HA   SER  67           HA       SER  67 -24.049  -1.008   9.343
 1102    HG   SER  67           HG       SER  67 -21.225  -0.841  10.134
 1103    HB2  SER  67           HB2      SER  67 -21.591  -2.655   8.694
 1104    HB3  SER  67           HB3      SER  67 -22.393  -1.498   7.630
 1105    H    LEU  68           HN       LEU  68 -25.920  -2.031   8.946
 1106    HA   LEU  68           HA       LEU  68 -25.926  -4.556   7.587
 1107    HG   LEU  68           HG       LEU  68 -28.316  -6.023   8.682
 1108    HB2  LEU  68           HB2      LEU  68 -25.742  -5.181  10.020
 1109    HB3  LEU  68           HB3      LEU  68 -27.290  -4.403  10.279
 1110   HD11  LEU  68          HD11      LEU  68 -27.061  -8.040   8.106
 1111   HD12  LEU  68          HD12      LEU  68 -26.311  -6.598   7.422
 1112   HD13  LEU  68          HD13      LEU  68 -25.616  -7.358   8.853
 1113   HD21  LEU  68          HD21      LEU  68 -28.315  -7.887  10.250
 1114   HD22  LEU  68          HD22      LEU  68 -26.894  -7.220  11.056
 1115   HD23  LEU  68          HD23      LEU  68 -28.425  -6.345  11.100
 1116    H    LEU  69           HN       LEU  69 -28.151  -5.143   6.905
 1117    HA   LEU  69           HA       LEU  69 -29.726  -2.843   6.252
 1118    HG   LEU  69           HG       LEU  69 -28.397  -5.290   4.703
 1119    HB2  LEU  69           HB2      LEU  69 -30.454  -5.769   6.016
 1120    HB3  LEU  69           HB3      LEU  69 -31.251  -4.434   5.209
 1121   HD11  LEU  69          HD11      LEU  69 -30.013  -6.981   3.972
 1122   HD12  LEU  69          HD12      LEU  69 -30.877  -5.754   3.046
 1123   HD13  LEU  69          HD13      LEU  69 -29.227  -6.195   2.604
 1124   HD21  LEU  69          HD21      LEU  69 -28.551  -3.797   2.773
 1125   HD22  LEU  69          HD22      LEU  69 -30.176  -3.319   3.266
 1126   HD23  LEU  69          HD23      LEU  69 -28.792  -2.919   4.283
 1127    H    ALA  70           HN       ALA  70 -30.523  -5.822   8.012
 1128    HA   ALA  70           HA       ALA  70 -31.785  -6.275   9.830
 1129    HB1  ALA  70           HB1      ALA  70 -31.044  -3.485  10.676
 1130    HB2  ALA  70           HB2      ALA  70 -31.606  -4.787  11.725
 1131    HB3  ALA  70           HB3      ALA  70 -30.051  -4.924  10.904
 1132    HA   PRO  71           HA       PRO  71 -35.737  -4.481   8.392
 1133    HB2  PRO  71           HB2      PRO  71 -36.669  -7.082   9.436
 1134    HB3  PRO  71           HB3      PRO  71 -36.946  -6.347   7.857
 1135    HG2  PRO  71           HG2      PRO  71 -35.304  -8.444   8.149
 1136    HG3  PRO  71           HG3      PRO  71 -34.962  -7.150   6.984
 1137    HD2  PRO  71           HD2      PRO  71 -33.773  -7.627   9.691
 1138    HD3  PRO  71           HD3      PRO  71 -32.981  -7.108   8.187
 1139    H    VAL  72           HN       VAL  72 -34.517  -5.788  11.327
 1140    HA   VAL  72           HA       VAL  72 -36.737  -5.030  12.986
 1141    HB   VAL  72           HB       VAL  72 -33.905  -5.733  13.778
 1142   HG11  VAL  72          HG11      VAL  72 -36.431  -5.644  15.417
 1143   HG12  VAL  72          HG12      VAL  72 -34.859  -6.214  15.979
 1144   HG13  VAL  72          HG13      VAL  72 -35.075  -4.522  15.528
 1145   HG21  VAL  72          HG21      VAL  72 -34.794  -7.967  14.271
 1146   HG22  VAL  72          HG22      VAL  72 -36.353  -7.482  13.602
 1147   HG23  VAL  72          HG23      VAL  72 -34.932  -7.560  12.560
 1148    H    ALA  73           HN       ALA  73 -37.184  -2.974  13.350
 1149    HA   ALA  73           HA       ALA  73 -35.043  -0.983  13.274
 1150    HB1  ALA  73           HB1      ALA  73 -36.837   0.656  13.150
 1151    HB2  ALA  73           HB2      ALA  73 -37.044  -0.589  11.917
 1152    HB3  ALA  73           HB3      ALA  73 -38.033  -0.618  13.378
 1153    H    ARG  74           HN       ARG  74 -35.548   0.939  14.894
 1154    HA   ARG  74           HA       ARG  74 -35.023  -0.086  17.480
 1155    HE   ARG  74           HE       ARG  74 -36.258   5.275  14.950
 1156    HB2  ARG  74           HB2      ARG  74 -35.171   2.287  18.219
 1157    HB3  ARG  74           HB3      ARG  74 -34.110   2.050  16.839
 1158    HG2  ARG  74           HG2      ARG  74 -35.775   2.910  15.342
 1159    HG3  ARG  74           HG3      ARG  74 -36.954   3.011  16.647
 1160    HD2  ARG  74           HD2      ARG  74 -35.605   4.697  17.762
 1161    HD3  ARG  74           HD3      ARG  74 -34.367   4.553  16.512
 1162   HH11  ARG  74          HH12      ARG  74 -35.907   6.379  18.269
 1163   HH12  ARG  74          HH11      ARG  74 -36.771   7.861  17.988
 1164   HH21  ARG  74          HH22      ARG  74 -37.383   7.231  14.598
 1165   HH22  ARG  74          HH21      ARG  74 -37.583   8.351  15.910
 1166    H    ASN  75           HN       ASN  75 -37.926   1.157  15.947
 1167    HA   ASN  75           HA       ASN  75 -39.453   1.235  18.372
 1168    HB2  ASN  75           HB2      ASN  75 -40.344   1.322  15.482
 1169    HB3  ASN  75           HB3      ASN  75 -41.401   1.575  16.863
 1170   HD21  ASN  75          HD21      ASN  75 -40.710   3.329  14.634
 1171   HD22  ASN  75          HD22      ASN  75 -40.085   4.782  15.349
 1172    H    GLY  76           HN       GLY  76 -39.444  -0.759  19.339
 1173    HA2  GLY  76           HA1      GLY  76 -41.211  -2.568  19.371
 1174    HA3  GLY  76           HA2      GLY  76 -40.622  -2.960  17.763
 1175    H    ARG  77           HN       ARG  77 -37.874  -2.120  19.194
 1176    HA   ARG  77           HA       ARG  77 -37.108  -4.843  19.652
 1177    HE   ARG  77           HE       ARG  77 -32.194  -5.240  20.625
 1178    HB2  ARG  77           HB2      ARG  77 -35.584  -3.111  18.686
 1179    HB3  ARG  77           HB3      ARG  77 -35.529  -2.340  20.266
 1180    HG2  ARG  77           HG2      ARG  77 -34.459  -4.268  21.229
 1181    HG3  ARG  77           HG3      ARG  77 -34.644  -5.169  19.724
 1182    HD2  ARG  77           HD2      ARG  77 -33.223  -3.521  18.584
 1183    HD3  ARG  77           HD3      ARG  77 -33.003  -2.674  20.111
 1184   HH11  ARG  77          HH12      ARG  77 -31.335  -2.792  18.275
 1185   HH12  ARG  77          HH11      ARG  77 -29.670  -3.288  18.164
 1186   HH21  ARG  77          HH22      ARG  77 -30.001  -5.915  20.479
 1187   HH22  ARG  77          HH21      ARG  77 -28.914  -5.080  19.408
 1188    H    LEU  78           HN       LEU  78 -36.589  -2.083  21.845
 1189    HA   LEU  78           HA       LEU  78 -38.231  -3.068  23.906
 1190    HG   LEU  78           HG       LEU  78 -36.506  -2.913  26.439
 1191    HB2  LEU  78           HB2      LEU  78 -36.413  -4.765  24.053
 1192    HB3  LEU  78           HB3      LEU  78 -35.271  -3.472  24.361
 1193   HD11  LEU  78          HD11      LEU  78 -38.153  -4.496  27.301
 1194   HD12  LEU  78          HD12      LEU  78 -38.698  -3.757  25.797
 1195   HD13  LEU  78          HD13      LEU  78 -38.072  -5.407  25.794
 1196   HD21  LEU  78          HD21      LEU  78 -34.556  -4.366  26.523
 1197   HD22  LEU  78          HD22      LEU  78 -35.755  -4.864  27.716
 1198   HD23  LEU  78          HD23      LEU  78 -35.573  -5.773  26.215
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  18.129   1.728  15.753
    2    H2   GLY   1           H2       GLY   1  18.274   3.152  16.654
    3    H3   GLY   1           H3       GLY   1  18.618   3.164  14.994
    4    HA2  GLY   1           HA2      GLY   1  16.476   4.160  15.357
    5    HA3  GLY   1           HA1      GLY   1  16.297   2.632  14.505
    6    HA   PRO   2           HA       PRO   2  14.304   2.766  18.959
    7    HB2  PRO   2           HB2      PRO   2  12.019   4.301  17.918
    8    HB3  PRO   2           HB3      PRO   2  12.946   4.536  19.401
    9    HG2  PRO   2           HG2      PRO   2  13.142   6.229  17.326
   10    HG3  PRO   2           HG3      PRO   2  14.533   5.846  18.358
   11    HD2  PRO   2           HD2      PRO   2  13.843   4.797  15.635
   12    HD3  PRO   2           HD3      PRO   2  15.422   5.286  16.287
   13    H    LEU   3           HN       LEU   3  12.732   2.664  15.781
   14    HA   LEU   3           HA       LEU   3  10.675   0.863  16.662
   15    HG   LEU   3           HG       LEU   3   9.006   2.292  15.554
   16    HB2  LEU   3           HB2      LEU   3  11.518   1.844  13.945
   17    HB3  LEU   3           HB3      LEU   3  10.277   0.623  14.144
   18   HD11  LEU   3          HD11      LEU   3   9.556   4.643  15.288
   19   HD12  LEU   3          HD12      LEU   3  10.868   3.779  16.087
   20   HD13  LEU   3          HD13      LEU   3  11.009   4.214  14.384
   21   HD21  LEU   3          HD21      LEU   3   9.569   2.926  12.663
   22   HD22  LEU   3          HD22      LEU   3   8.352   1.815  13.286
   23   HD23  LEU   3          HD23      LEU   3   8.198   3.549  13.583
   24    H    GLY   4           HN       GLY   4  13.637   0.583  14.735
   25    HA2  GLY   4           HA1      GLY   4  13.799  -2.222  15.490
   26    HA3  GLY   4           HA2      GLY   4  13.636  -1.896  13.771
   27    H    SER   5           HN       SER   5  15.819  -3.193  15.078
   28    HA   SER   5           HA       SER   5  17.988  -1.239  14.778
   29    HG   SER   5           HG       SER   5  18.301  -2.976  17.883
   30    HB2  SER   5           HB2      SER   5  18.059  -4.069  15.867
   31    HB3  SER   5           HB3      SER   5  19.401  -2.924  15.866
   32    H    SER   6           HN       SER   6  16.604  -4.125  13.411
   33    HA   SER   6           HA       SER   6  18.802  -4.537  11.578
   34    HG   SER   6           HG       SER   6  18.152  -7.494  12.306
   35    HB2  SER   6           HB2      SER   6  16.102  -5.892  11.807
   36    HB3  SER   6           HB3      SER   6  17.391  -6.390  10.711
   37    H    ALA   7           HN       ALA   7  18.917  -2.778  10.235
   38    HA   ALA   7           HA       ALA   7  16.538  -1.923   8.781
   39    HB1  ALA   7           HB1      ALA   7  18.037  -0.203   9.651
   40    HB2  ALA   7           HB2      ALA   7  19.362  -0.863   8.693
   41    HB3  ALA   7           HB3      ALA   7  17.966  -0.145   7.889
   42    H    GLY   8           HN       GLY   8  19.792  -3.163   8.072
   43    HA2  GLY   8           HA1      GLY   8  19.454  -3.528   5.317
   44    HA3  GLY   8           HA2      GLY   8  20.600  -4.399   6.328
   45    H    ALA   9           HN       ALA   9  18.738  -5.653   8.050
   46    HA   ALA   9           HA       ALA   9  18.010  -7.938   6.617
   47    HB1  ALA   9           HB1      ALA   9  18.291  -7.921   9.043
   48    HB2  ALA   9           HB2      ALA   9  16.845  -6.924   9.207
   49    HB3  ALA   9           HB3      ALA   9  16.716  -8.572   8.590
   50    H    LEU  10           HN       LEU  10  16.096  -5.094   7.521
   51    HA   LEU  10           HA       LEU  10  13.637  -5.987   6.453
   52    HG   LEU  10           HG       LEU  10  13.049  -3.004   5.215
   53    HB2  LEU  10           HB2      LEU  10  13.591  -4.162   7.949
   54    HB3  LEU  10           HB3      LEU  10  14.761  -3.252   7.015
   55   HD11  LEU  10          HD11      LEU  10  11.676  -4.950   5.759
   56   HD12  LEU  10          HD12      LEU  10  11.182  -4.179   7.267
   57   HD13  LEU  10          HD13      LEU  10  10.717  -3.470   5.719
   58   HD21  LEU  10          HD21      LEU  10  12.305  -1.971   7.946
   59   HD22  LEU  10          HD22      LEU  10  13.409  -1.213   6.799
   60   HD23  LEU  10          HD23      LEU  10  11.691  -1.338   6.419
   61    H    LEU  11           HN       LEU  11  16.220  -3.990   5.122
   62    HA   LEU  11           HA       LEU  11  15.152  -3.515   2.592
   63    HG   LEU  11           HG       LEU  11  18.426  -1.966   1.752
   64    HB2  LEU  11           HB2      LEU  11  17.121  -2.404   3.612
   65    HB3  LEU  11           HB3      LEU  11  18.044  -3.874   3.409
   66   HD11  LEU  11          HD11      LEU  11  18.774  -3.524  -0.103
   67   HD12  LEU  11          HD12      LEU  11  19.322  -4.195   1.437
   68   HD13  LEU  11          HD13      LEU  11  17.793  -4.729   0.735
   69   HD21  LEU  11          HD21      LEU  11  16.082  -1.446   1.324
   70   HD22  LEU  11          HD22      LEU  11  16.917  -1.897  -0.163
   71   HD23  LEU  11          HD23      LEU  11  15.845  -3.051   0.631
   72    H    ALA  12           HN       ALA  12  17.267  -6.127   3.727
   73    HA   ALA  12           HA       ALA  12  17.560  -7.436   1.267
   74    HB1  ALA  12           HB1      ALA  12  18.355  -9.335   2.574
   75    HB2  ALA  12           HB2      ALA  12  19.040  -7.820   3.159
   76    HB3  ALA  12           HB3      ALA  12  17.724  -8.594   4.046
   77    H    HIS  13           HN       HIS  13  15.244  -8.113   3.936
   78    HA   HIS  13           HA       HIS  13  14.208 -10.376   2.528
   79    HD1  HIS  13           HD1      HIS  13  10.584  -9.801   4.560
   80    HD2  HIS  13           HD2      HIS  13  13.597  -7.390   6.088
   81    HE1  HIS  13           HE1      HIS  13   9.421  -7.957   5.804
   82    HE2  HIS  13           HE2      HIS  13  11.268  -6.707   6.968
   83    HB2  HIS  13           HB2      HIS  13  12.891 -10.816   4.376
   84    HB3  HIS  13           HB3      HIS  13  14.236  -9.947   5.096
   85    H    ALA  14           HN       ALA  14  13.408  -6.984   2.664
   86    HA   ALA  14           HA       ALA  14  10.824  -7.182   1.497
   87    HB1  ALA  14           HB1      ALA  14  11.643  -5.158   2.652
   88    HB2  ALA  14           HB2      ALA  14  12.766  -4.884   1.321
   89    HB3  ALA  14           HB3      ALA  14  11.029  -4.821   1.032
   90    H    ALA  15           HN       ALA  15  14.049  -6.572   0.134
   91    HA   ALA  15           HA       ALA  15  13.232  -6.521  -2.569
   92    HB1  ALA  15           HB1      ALA  15  15.931  -7.240  -1.424
   93    HB2  ALA  15           HB2      ALA  15  15.600  -6.806  -3.101
   94    HB3  ALA  15           HB3      ALA  15  15.377  -5.614  -1.821
   95    H    SER  16           HN       SER  16  14.107  -9.107  -0.390
   96    HA   SER  16           HA       SER  16  14.380 -11.180  -2.270
   97    HG   SER  16           HG       SER  16  14.374 -13.242  -1.271
   98    HB2  SER  16           HB2      SER  16  15.111 -11.312   0.103
   99    HB3  SER  16           HB3      SER  16  13.421 -11.361   0.600
  100    H    LEU  17           HN       LEU  17  11.545  -9.952  -0.514
  101    HA   LEU  17           HA       LEU  17   9.773 -11.855  -1.759
  102    HG   LEU  17           HG       LEU  17  10.226 -11.035   1.220
  103    HB2  LEU  17           HB2      LEU  17   9.180  -9.329  -0.214
  104    HB3  LEU  17           HB3      LEU  17   7.981 -10.502  -0.725
  105   HD11  LEU  17          HD11      LEU  17   8.453 -11.122   2.891
  106   HD12  LEU  17          HD12      LEU  17   8.534  -9.536   2.125
  107   HD13  LEU  17          HD13      LEU  17   7.269 -10.674   1.664
  108   HD21  LEU  17          HD21      LEU  17   9.075 -13.152   1.627
  109   HD22  LEU  17          HD22      LEU  17   7.906 -12.764   0.363
  110   HD23  LEU  17          HD23      LEU  17   9.599 -13.023  -0.052
  111    H    GLY  18           HN       GLY  18  10.990  -8.695  -2.428
  112    HA2  GLY  18           HA1      GLY  18  10.914  -7.593  -4.475
  113    HA3  GLY  18           HA2      GLY  18   9.677  -8.713  -5.014
  114    H    VAL  19           HN       VAL  19   9.281  -7.184  -1.943
  115    HA   VAL  19           HA       VAL  19   6.889  -5.862  -2.730
  116    HB   VAL  19           HB       VAL  19   8.567  -5.371  -0.253
  117   HG11  VAL  19          HG11      VAL  19   6.482  -4.529   0.723
  118   HG12  VAL  19          HG12      VAL  19   6.995  -3.576  -0.669
  119   HG13  VAL  19          HG13      VAL  19   5.678  -4.737  -0.834
  120   HG21  VAL  19          HG21      VAL  19   6.946  -6.867   0.878
  121   HG22  VAL  19          HG22      VAL  19   6.267  -7.271  -0.699
  122   HG23  VAL  19          HG23      VAL  19   7.939  -7.697  -0.326
  123    H    ARG  20           HN       ARG  20   6.734  -3.993  -3.805
  124    HA   ARG  20           HA       ARG  20   9.013  -2.109  -3.675
  125    HE   ARG  20           HE       ARG  20   9.819  -5.646  -7.397
  126    HB2  ARG  20           HB2      ARG  20   7.139  -2.488  -6.016
  127    HB3  ARG  20           HB3      ARG  20   8.636  -1.571  -5.983
  128    HG2  ARG  20           HG2      ARG  20   9.945  -3.529  -5.924
  129    HG3  ARG  20           HG3      ARG  20   8.547  -4.539  -5.551
  130    HD2  ARG  20           HD2      ARG  20   7.597  -3.902  -7.774
  131    HD3  ARG  20           HD3      ARG  20   9.129  -3.109  -8.139
  132   HH11  ARG  20          HH12      ARG  20   7.703  -4.284  -9.840
  133   HH12  ARG  20          HH11      ARG  20   7.952  -5.599 -10.947
  134   HH21  ARG  20          HH22      ARG  20  10.118  -7.378  -8.837
  135   HH22  ARG  20          HH21      ARG  20   9.291  -7.374 -10.371
  136    H    LEU  21           HN       LEU  21   8.487  -0.022  -3.145
  137    HA   LEU  21           HA       LEU  21   5.699   0.853  -3.440
  138    HG   LEU  21           HG       LEU  21   4.886  -0.262  -1.441
  139    HB2  LEU  21           HB2      LEU  21   7.412   1.257  -0.983
  140    HB3  LEU  21           HB3      LEU  21   5.933   2.140  -1.295
  141   HD11  LEU  21          HD11      LEU  21   7.295  -0.737   0.311
  142   HD12  LEU  21          HD12      LEU  21   5.931  -1.834   0.099
  143   HD13  LEU  21          HD13      LEU  21   6.991  -1.476  -1.264
  144   HD21  LEU  21          HD21      LEU  21   5.657   1.060   1.155
  145   HD22  LEU  21          HD22      LEU  21   4.267   1.465   0.149
  146   HD23  LEU  21          HD23      LEU  21   4.354  -0.110   0.937
  147    H    TRP  22           HN       TRP  22   5.595   2.683  -4.567
  148    HA   TRP  22           HA       TRP  22   7.745   4.645  -4.289
  149    HD1  TRP  22           HD1      TRP  22   6.034   5.246  -8.493
  150    HE1  TRP  22           HE1      TRP  22   4.462   3.634  -9.749
  151    HE3  TRP  22           HE3      TRP  22   7.022   0.971  -5.881
  152    HZ2  TRP  22           HZ2      TRP  22   3.744   0.907  -9.634
  153    HZ3  TRP  22           HZ3      TRP  22   5.854  -1.093  -6.503
  154    HH2  TRP  22           HH2      TRP  22   4.248  -1.130  -8.350
  155    HB2  TRP  22           HB2      TRP  22   7.894   4.970  -6.723
  156    HB3  TRP  22           HB3      TRP  22   8.345   3.329  -6.280
  157    H    VAL  23           HN       VAL  23   7.056   6.750  -4.460
  158    HA   VAL  23           HA       VAL  23   4.184   7.114  -4.381
  159    HB   VAL  23           HB       VAL  23   5.485   8.281  -2.696
  160   HG11  VAL  23          HG11      VAL  23   6.755   9.936  -4.857
  161   HG12  VAL  23          HG12      VAL  23   7.151   9.889  -3.144
  162   HG13  VAL  23          HG13      VAL  23   7.535   8.511  -4.173
  163   HG21  VAL  23          HG21      VAL  23   4.632  10.553  -3.011
  164   HG22  VAL  23          HG22      VAL  23   4.328  10.203  -4.714
  165   HG23  VAL  23          HG23      VAL  23   3.430   9.342  -3.461
  166    H    GLU  24           HN       GLU  24   3.005   7.662  -6.071
  167    HA   GLU  24           HA       GLU  24   4.371   8.786  -8.425
  168    HB2  GLU  24           HB2      GLU  24   3.090   6.488  -8.447
  169    HB3  GLU  24           HB3      GLU  24   1.660   7.506  -8.544
  170    HG2  GLU  24           HG2      GLU  24   3.957   7.470 -10.486
  171    HG3  GLU  24           HG3      GLU  24   2.367   6.761 -10.740
  172    H    GLY  25           HN       GLY  25   4.178  10.924  -8.224
  173    HA2  GLY  25           HA1      GLY  25   3.182  12.989  -8.233
  174    HA3  GLY  25           HA2      GLY  25   1.646  12.179  -8.510
  175    H    GLU  26           HN       GLU  26   0.432  11.467  -6.734
  176    HA   GLU  26           HA       GLU  26   1.108  12.808  -4.196
  177    HB2  GLU  26           HB2      GLU  26  -0.816  13.852  -5.178
  178    HB3  GLU  26           HB3      GLU  26  -1.554  12.298  -5.528
  179    HG2  GLU  26           HG2      GLU  26  -1.535  11.959  -2.975
  180    HG3  GLU  26           HG3      GLU  26  -1.291  13.704  -2.906
  181    H    ARG  27           HN       ARG  27   0.105   9.853  -5.757
  182    HA   ARG  27           HA       ARG  27  -0.615   8.716  -3.153
  183    HE   ARG  27           HE       ARG  27  -3.111   9.472  -3.525
  184    HB2  ARG  27           HB2      ARG  27  -2.287   8.798  -5.100
  185    HB3  ARG  27           HB3      ARG  27  -1.326   7.507  -5.808
  186    HG2  ARG  27           HG2      ARG  27  -3.254   6.638  -4.596
  187    HG3  ARG  27           HG3      ARG  27  -1.737   6.100  -3.864
  188    HD2  ARG  27           HD2      ARG  27  -3.475   6.858  -2.222
  189    HD3  ARG  27           HD3      ARG  27  -1.930   7.695  -2.105
  190   HH11  ARG  27          HH12      ARG  27  -4.765   7.451  -1.194
  191   HH12  ARG  27          HH11      ARG  27  -5.955   8.648  -0.809
  192   HH21  ARG  27          HH22      ARG  27  -4.654  11.076  -3.012
  193   HH22  ARG  27          HH21      ARG  27  -5.898  10.714  -1.848
  194    H    LEU  28           HN       LEU  28   0.450   7.113  -2.306
  195    HA   LEU  28           HA       LEU  28   2.833   6.067  -3.425
  196    HG   LEU  28           HG       LEU  28   3.406   4.505  -0.072
  197    HB2  LEU  28           HB2      LEU  28   2.274   6.349  -0.978
  198    HB3  LEU  28           HB3      LEU  28   1.184   4.992  -1.127
  199   HD11  LEU  28          HD11      LEU  28   2.028   2.717  -0.937
  200   HD12  LEU  28          HD12      LEU  28   2.707   2.946  -2.549
  201   HD13  LEU  28          HD13      LEU  28   3.733   2.379  -1.231
  202   HD21  LEU  28          HD21      LEU  28   5.322   4.178  -1.572
  203   HD22  LEU  28          HD22      LEU  28   4.398   4.917  -2.882
  204   HD23  LEU  28          HD23      LEU  28   4.826   5.867  -1.458
  205    H    ARG  29           HN       ARG  29   3.058   4.440  -4.823
  206    HA   ARG  29           HA       ARG  29   0.768   2.688  -5.358
  207    HE   ARG  29           HE       ARG  29  -0.810   4.389  -9.073
  208    HB2  ARG  29           HB2      ARG  29   3.040   3.672  -6.948
  209    HB3  ARG  29           HB3      ARG  29   2.661   1.977  -7.194
  210    HG2  ARG  29           HG2      ARG  29   1.519   3.268  -8.840
  211    HG3  ARG  29           HG3      ARG  29   0.328   2.621  -7.713
  212    HD2  ARG  29           HD2      ARG  29   0.226   4.767  -6.575
  213    HD3  ARG  29           HD3      ARG  29   1.457   5.416  -7.653
  214   HH11  ARG  29          HH12      ARG  29   0.331   7.169  -7.265
  215   HH12  ARG  29          HH11      ARG  29  -0.628   8.302  -8.166
  216   HH21  ARG  29          HH22      ARG  29  -2.086   5.884 -10.235
  217   HH22  ARG  29          HH21      ARG  29  -2.013   7.574  -9.824
  218    H    PHE  30           HN       PHE  30   0.798   0.584  -4.849
  219    HA   PHE  30           HA       PHE  30   3.179  -0.397  -3.423
  220    HD1  PHE  30           HD2      PHE  30   3.088  -2.972  -2.432
  221    HD2  PHE  30           HD1      PHE  30   0.861  -0.109  -0.208
  222    HE1  PHE  30           HE2      PHE  30   4.150  -3.756  -0.369
  223    HE2  PHE  30           HE1      PHE  30   1.923  -0.892   1.864
  224    HZ   PHE  30           HZ       PHE  30   3.571  -2.721   1.786
  225    HB2  PHE  30           HB2      PHE  30   0.657  -0.111  -2.472
  226    HB3  PHE  30           HB3      PHE  30   0.570  -1.762  -3.082
  227    H    GLN  31           HN       GLN  31   3.975  -2.443  -3.875
  228    HA   GLN  31           HA       GLN  31   2.585  -4.101  -5.829
  229    HB2  GLN  31           HB2      GLN  31   4.158  -2.634  -7.096
  230    HB3  GLN  31           HB3      GLN  31   5.485  -3.304  -6.160
  231    HG2  GLN  31           HG2      GLN  31   5.373  -4.358  -8.325
  232    HG3  GLN  31           HG3      GLN  31   4.991  -5.527  -7.063
  233   HE21  GLN  31          HE21      GLN  31   2.746  -3.084  -8.123
  234   HE22  GLN  31          HE22      GLN  31   1.626  -4.153  -8.894
  235    H    ALA  32           HN       ALA  32   2.364  -5.953  -4.740
  236    HA   ALA  32           HA       ALA  32   4.728  -7.201  -3.559
  237    HB1  ALA  32           HB1      ALA  32   3.607  -7.689  -1.463
  238    HB2  ALA  32           HB2      ALA  32   3.688  -5.946  -1.722
  239    HB3  ALA  32           HB3      ALA  32   2.176  -6.809  -2.001
  240    HA   PRO  33           HA       PRO  33   2.910 -10.800  -5.492
  241    HB2  PRO  33           HB2      PRO  33   4.561 -12.215  -3.468
  242    HB3  PRO  33           HB3      PRO  33   4.527 -12.403  -5.226
  243    HG2  PRO  33           HG2      PRO  33   6.565 -11.163  -4.050
  244    HG3  PRO  33           HG3      PRO  33   5.902 -10.561  -5.582
  245    HD2  PRO  33           HD2      PRO  33   5.460  -9.547  -2.804
  246    HD3  PRO  33           HD3      PRO  33   5.739  -8.632  -4.300
  247    HA   PRO  34           HA       PRO  34  -0.382 -11.977  -2.847
  248    HB2  PRO  34           HB2      PRO  34  -0.726 -14.611  -3.583
  249    HB3  PRO  34           HB3      PRO  34  -1.343 -13.227  -4.491
  250    HG2  PRO  34           HG2      PRO  34   1.082 -14.887  -4.969
  251    HG3  PRO  34           HG3      PRO  34  -0.032 -14.160  -6.141
  252    HD2  PRO  34           HD2      PRO  34   2.411 -13.120  -5.588
  253    HD3  PRO  34           HD3      PRO  34   1.032 -12.116  -6.062
  254    H    GLY  35           HN       GLY  35  -0.210 -12.285  -0.740
  255    HA2  GLY  35           HA1      GLY  35  -0.251 -13.981   0.998
  256    HA3  GLY  35           HA2      GLY  35   1.114 -14.745   0.199
  257    H    VAL  36           HN       VAL  36   2.572 -12.255  -0.227
  258    HA   VAL  36           HA       VAL  36   3.999 -12.391   2.252
  259    HB   VAL  36           HB       VAL  36   5.600 -10.870   1.220
  260   HG11  VAL  36          HG11      VAL  36   6.298 -12.326  -0.581
  261   HG12  VAL  36          HG12      VAL  36   5.639 -13.288   0.745
  262   HG13  VAL  36          HG13      VAL  36   4.671 -12.997  -0.700
  263   HG21  VAL  36          HG21      VAL  36   3.636 -10.716  -1.052
  264   HG22  VAL  36          HG22      VAL  36   4.094  -9.401   0.031
  265   HG23  VAL  36          HG23      VAL  36   5.281 -10.084  -1.078
  266    H    MET  37           HN       MET  37   1.450 -10.493   1.261
  267    HA   MET  37           HA       MET  37   2.295  -8.003   2.434
  268    HB2  MET  37           HB2      MET  37   0.795  -8.299   0.375
  269    HB3  MET  37           HB3      MET  37  -0.494  -8.656   1.514
  270    HG2  MET  37           HG2      MET  37  -0.833  -6.428   1.201
  271    HG3  MET  37           HG3      MET  37   0.252  -6.380   2.585
  272    HE1  MET  37           HE1      MET  37   3.621  -5.188   1.031
  273    HE2  MET  37           HE2      MET  37   2.779  -5.752   2.475
  274    HE3  MET  37           HE3      MET  37   3.224  -6.899   1.206
  275    H    THR  38           HN       THR  38   1.930 -10.469   4.122
  276    HA   THR  38           HA       THR  38  -0.321 -10.415   5.725
  277    HB   THR  38           HB       THR  38   1.178 -11.345   7.522
  278    HG1  THR  38           HG1      THR  38   3.371 -11.865   6.552
  279   HG21  THR  38          HG21      THR  38   1.464 -12.567   4.776
  280   HG22  THR  38          HG22      THR  38   0.114 -12.812   5.886
  281   HG23  THR  38          HG23      THR  38   1.723 -13.404   6.305
  282    HA   PRO  39           HA       PRO  39  -0.326  -6.564   7.918
  283    HB2  PRO  39           HB2      PRO  39  -1.041  -8.209  10.301
  284    HB3  PRO  39           HB3      PRO  39  -1.861  -6.800   9.620
  285    HG2  PRO  39           HG2      PRO  39  -2.852  -9.247   9.276
  286    HG3  PRO  39           HG3      PRO  39  -2.918  -8.042   7.979
  287    HD2  PRO  39           HD2      PRO  39  -1.118 -10.404   8.279
  288    HD3  PRO  39           HD3      PRO  39  -1.833  -9.707   6.810
  289    H    GLU  40           HN       GLU  40   1.223  -9.367   9.402
  290    HA   GLU  40           HA       GLU  40   2.888  -8.086  11.232
  291    HB2  GLU  40           HB2      GLU  40   2.590 -10.536  11.074
  292    HB3  GLU  40           HB3      GLU  40   3.483 -10.538   9.559
  293    HG2  GLU  40           HG2      GLU  40   4.848 -11.274  11.444
  294    HG3  GLU  40           HG3      GLU  40   5.485  -9.812  10.695
  295    H    LEU  41           HN       LEU  41   3.499  -8.924   7.817
  296    HA   LEU  41           HA       LEU  41   6.059  -7.768   7.626
  297    HG   LEU  41           HG       LEU  41   6.515  -6.845   5.302
  298    HB2  LEU  41           HB2      LEU  41   5.008  -9.290   5.922
  299    HB3  LEU  41           HB3      LEU  41   4.016  -7.927   5.416
  300   HD11  LEU  41          HD11      LEU  41   7.606  -8.948   5.783
  301   HD12  LEU  41          HD12      LEU  41   6.760  -9.721   4.443
  302   HD13  LEU  41          HD13      LEU  41   7.942  -8.450   4.125
  303   HD21  LEU  41          HD21      LEU  41   4.779  -6.623   3.625
  304   HD22  LEU  41          HD22      LEU  41   6.308  -7.091   2.875
  305   HD23  LEU  41          HD23      LEU  41   5.037  -8.292   3.112
  306    H    GLN  42           HN       GLN  42   2.850  -6.534   6.900
  307    HA   GLN  42           HA       GLN  42   3.563  -4.079   5.818
  308    HB2  GLN  42           HB2      GLN  42   1.313  -5.037   5.684
  309    HB3  GLN  42           HB3      GLN  42   1.100  -4.804   7.412
  310    HG2  GLN  42           HG2      GLN  42  -0.063  -3.094   6.179
  311    HG3  GLN  42           HG3      GLN  42   1.263  -2.398   7.106
  312   HE21  GLN  42          HE21      GLN  42   3.025  -1.547   6.050
  313   HE22  GLN  42          HE22      GLN  42   3.018  -1.213   4.354
  314    H    SER  43           HN       SER  43   3.041  -5.000   9.191
  315    HA   SER  43           HA       SER  43   3.337  -2.365  10.224
  316    HG   SER  43           HG       SER  43   4.206  -2.801  12.715
  317    HB2  SER  43           HB2      SER  43   2.208  -4.317  11.390
  318    HB3  SER  43           HB3      SER  43   3.820  -4.946  11.725
  319    H    ARG  44           HN       ARG  44   5.544  -4.934   9.392
  320    HA   ARG  44           HA       ARG  44   7.810  -3.774  10.730
  321    HE   ARG  44           HE       ARG  44   7.116  -8.577  12.029
  322    HB2  ARG  44           HB2      ARG  44   7.661  -5.919   8.608
  323    HB3  ARG  44           HB3      ARG  44   9.116  -5.477   9.493
  324    HG2  ARG  44           HG2      ARG  44   8.062  -6.160  11.584
  325    HG3  ARG  44           HG3      ARG  44   6.590  -6.580  10.707
  326    HD2  ARG  44           HD2      ARG  44   7.851  -8.243   9.417
  327    HD3  ARG  44           HD3      ARG  44   9.301  -7.843  10.339
  328   HH11  ARG  44          HH12      ARG  44   9.614  -9.905   9.963
  329   HH12  ARG  44          HH11      ARG  44   9.699 -11.414  10.811
  330   HH21  ARG  44          HH22      ARG  44   7.247 -10.537  13.164
  331   HH22  ARG  44          HH21      ARG  44   8.375 -11.763  12.669
  332    H    LEU  45           HN       LEU  45   6.401  -3.613   7.529
  333    HA   LEU  45           HA       LEU  45   8.459  -2.136   6.262
  334    HG   LEU  45           HG       LEU  45   6.484  -4.306   5.341
  335    HB2  LEU  45           HB2      LEU  45   5.462  -2.058   5.817
  336    HB3  LEU  45           HB3      LEU  45   6.651  -1.345   4.744
  337   HD11  LEU  45          HD11      LEU  45   4.468  -3.672   4.192
  338   HD12  LEU  45          HD12      LEU  45   5.386  -2.722   3.023
  339   HD13  LEU  45          HD13      LEU  45   5.545  -4.481   3.046
  340   HD21  LEU  45          HD21      LEU  45   7.895  -4.515   3.353
  341   HD22  LEU  45          HD22      LEU  45   7.964  -2.757   3.219
  342   HD23  LEU  45          HD23      LEU  45   8.688  -3.565   4.613
  343    H    GLY  46           HN       GLY  46   5.786  -1.294   8.351
  344    HA2  GLY  46           HA1      GLY  46   5.811   0.365   9.971
  345    HA3  GLY  46           HA2      GLY  46   7.253   1.037   9.230
  346    H    GLY  47           HN       GLY  47   5.812   1.001   6.574
  347    HA2  GLY  47           HA1      GLY  47   4.542   2.448   5.310
  348    HA3  GLY  47           HA2      GLY  47   3.609   2.793   6.760
  349    H    ALA  48           HN       ALA  48   6.936   3.269   7.163
  350    HA   ALA  48           HA       ALA  48   6.536   6.085   7.545
  351    HB1  ALA  48           HB1      ALA  48   8.955   6.018   8.203
  352    HB2  ALA  48           HB2      ALA  48   7.907   4.940   9.128
  353    HB3  ALA  48           HB3      ALA  48   8.933   4.289   7.853
  354    H    ARG  49           HN       ARG  49   7.760   7.735   6.496
  355    HA   ARG  49           HA       ARG  49   7.639   7.382   3.685
  356    HE   ARG  49           HE       ARG  49   7.621  11.900   4.005
  357    HB2  ARG  49           HB2      ARG  49   8.373   9.734   3.578
  358    HB3  ARG  49           HB3      ARG  49   7.052   9.498   4.711
  359    HG2  ARG  49           HG2      ARG  49   8.823   9.384   6.524
  360    HG3  ARG  49           HG3      ARG  49   9.944  10.004   5.307
  361    HD2  ARG  49           HD2      ARG  49   7.456  11.340   6.360
  362    HD3  ARG  49           HD3      ARG  49   9.126  11.871   6.552
  363   HH11  ARG  49          HH12      ARG  49  10.122  13.171   6.115
  364   HH12  ARG  49          HH11      ARG  49  10.573  14.446   5.023
  365   HH21  ARG  49          HH22      ARG  49   8.177  13.595   2.596
  366   HH22  ARG  49          HH21      ARG  49   9.469  14.688   3.020
  367    H    HIS  50           HN       HIS  50  10.387   7.935   5.881
  368    HA   HIS  50           HA       HIS  50  12.372   7.838   3.879
  369    HD1  HIS  50           HD1      HIS  50  12.945   5.224   7.232
  370    HD2  HIS  50           HD2      HIS  50  11.619   9.021   8.278
  371    HE1  HIS  50           HE1      HIS  50  11.789   4.956   9.440
  372    HE2  HIS  50           HE2      HIS  50  11.275   7.314  10.187
  373    HB2  HIS  50           HB2      HIS  50  13.945   7.339   5.810
  374    HB3  HIS  50           HB3      HIS  50  13.000   8.814   5.959
  375    H    GLU  51           HN       GLU  51  10.787   5.364   5.757
  376    HA   GLU  51           HA       GLU  51  12.576   3.247   5.208
  377    HB2  GLU  51           HB2      GLU  51  10.180   3.593   6.655
  378    HB3  GLU  51           HB3      GLU  51   9.861   2.326   5.479
  379    HG2  GLU  51           HG2      GLU  51  10.631   1.276   7.446
  380    HG3  GLU  51           HG3      GLU  51  11.931   1.201   6.250
  381    H    LEU  52           HN       LEU  52   9.551   4.311   3.761
  382    HA   LEU  52           HA       LEU  52   9.546   2.228   1.840
  383    HG   LEU  52           HG       LEU  52   7.418   3.518   3.839
  384    HB2  LEU  52           HB2      LEU  52   7.973   4.805   1.856
  385    HB3  LEU  52           HB3      LEU  52   7.648   3.417   0.830
  386   HD11  LEU  52          HD11      LEU  52   5.347   3.240   1.669
  387   HD12  LEU  52          HD12      LEU  52   5.038   3.135   3.403
  388   HD13  LEU  52          HD13      LEU  52   5.608   4.649   2.700
  389   HD21  LEU  52          HD21      LEU  52   6.930   1.223   1.946
  390   HD22  LEU  52          HD22      LEU  52   8.232   1.340   3.128
  391   HD23  LEU  52          HD23      LEU  52   6.557   1.235   3.669
  392    H    ILE  53           HN       ILE  53  10.914   5.431   1.909
  393    HA   ILE  53           HA       ILE  53  11.413   5.733  -0.849
  394    HB   ILE  53           HB       ILE  53  12.975   6.718   1.545
  395   HG12  ILE  53          HG12      ILE  53  11.142   8.146  -0.401
  396   HG13  ILE  53          HG13      ILE  53  10.695   7.637   1.224
  397   HG21  ILE  53          HG21      ILE  53  14.151   8.219  -0.004
  398   HG22  ILE  53          HG22      ILE  53  14.495   6.523  -0.345
  399   HG23  ILE  53          HG23      ILE  53  13.367   7.417  -1.365
  400   HD11  ILE  53          HD11      ILE  53  11.213  10.007   1.155
  401   HD12  ILE  53          HD12      ILE  53  12.382   9.141   2.153
  402   HD13  ILE  53          HD13      ILE  53  12.820   9.650   0.523
  403    H    ALA  54           HN       ALA  54  13.268   4.143   1.730
  404    HA   ALA  54           HA       ALA  54  15.369   3.229   0.047
  405    HB1  ALA  54           HB1      ALA  54  15.614   3.366   2.474
  406    HB2  ALA  54           HB2      ALA  54  14.400   2.104   2.674
  407    HB3  ALA  54           HB3      ALA  54  15.936   1.731   1.896
  408    H    LEU  55           HN       LEU  55  12.168   2.173   0.674
  409    HA   LEU  55           HA       LEU  55  12.437  -0.560  -0.080
  410    HG   LEU  55           HG       LEU  55   9.137  -0.933   1.362
  411    HB2  LEU  55           HB2      LEU  55  10.460   1.076   1.037
  412    HB3  LEU  55           HB3      LEU  55   9.794   0.515  -0.482
  413   HD11  LEU  55          HD11      LEU  55   9.426  -1.871  -0.884
  414   HD12  LEU  55          HD12      LEU  55  11.106  -2.255  -0.495
  415   HD13  LEU  55          HD13      LEU  55   9.793  -3.051   0.378
  416   HD21  LEU  55          HD21      LEU  55  10.798  -2.280   2.540
  417   HD22  LEU  55          HD22      LEU  55  12.092  -1.443   1.683
  418   HD23  LEU  55          HD23      LEU  55  11.066  -0.559   2.813
  419    H    LEU  56           HN       LEU  56  11.750   2.423  -1.723
  420    HA   LEU  56           HA       LEU  56  11.291   1.170  -4.261
  421    HG   LEU  56           HG       LEU  56  12.735   4.095  -5.116
  422    HB2  LEU  56           HB2      LEU  56  10.128   3.103  -4.060
  423    HB3  LEU  56           HB3      LEU  56  11.364   3.871  -3.087
  424   HD11  LEU  56          HD11      LEU  56  11.630   3.905  -7.314
  425   HD12  LEU  56          HD12      LEU  56  11.699   2.350  -6.485
  426   HD13  LEU  56          HD13      LEU  56  10.192   3.265  -6.521
  427   HD21  LEU  56          HD21      LEU  56  11.455   5.998  -6.027
  428   HD22  LEU  56          HD22      LEU  56  10.039   5.437  -5.138
  429   HD23  LEU  56          HD23      LEU  56  11.473   5.974  -4.262
  430    H    ARG  57           HN       ARG  57  13.848   2.865  -2.561
  431    HA   ARG  57           HA       ARG  57  15.687   3.261  -4.607
  432    HE   ARG  57           HE       ARG  57  18.381   2.436  -0.645
  433    HB2  ARG  57           HB2      ARG  57  15.781   4.194  -2.297
  434    HB3  ARG  57           HB3      ARG  57  16.269   2.609  -1.715
  435    HG2  ARG  57           HG2      ARG  57  18.305   2.730  -3.045
  436    HG3  ARG  57           HG3      ARG  57  17.812   4.307  -3.670
  437    HD2  ARG  57           HD2      ARG  57  19.375   4.661  -1.889
  438    HD3  ARG  57           HD3      ARG  57  17.775   5.151  -1.338
  439   HH11  ARG  57          HH12      ARG  57  18.796   5.777   0.321
  440   HH12  ARG  57          HH11      ARG  57  19.132   5.393   1.983
  441   HH21  ARG  57          HH22      ARG  57  18.834   1.920   1.545
  442   HH22  ARG  57          HH21      ARG  57  19.167   3.198   2.673
  443    H    GLN  58           HN       GLN  58  14.919   0.417  -2.782
  444    HA   GLN  58           HA       GLN  58  17.176  -1.155  -3.431
  445    HB2  GLN  58           HB2      GLN  58  15.880  -3.002  -2.590
  446    HB3  GLN  58           HB3      GLN  58  15.546  -1.589  -1.597
  447    HG2  GLN  58           HG2      GLN  58  13.460  -1.239  -2.648
  448    HG3  GLN  58           HG3      GLN  58  13.791  -2.494  -3.841
  449   HE21  GLN  58          HE21      GLN  58  11.777  -3.348  -3.154
  450   HE22  GLN  58          HE22      GLN  58  11.697  -4.351  -1.750
  451    H    LEU  59           HN       LEU  59  14.451  -0.187  -5.270
  452    HA   LEU  59           HA       LEU  59  14.543  -2.488  -7.048
  453    HG   LEU  59           HG       LEU  59  12.879  -1.482  -9.283
  454    HB2  LEU  59           HB2      LEU  59  12.408  -1.394  -6.306
  455    HB3  LEU  59           HB3      LEU  59  12.859   0.009  -7.253
  456   HD11  LEU  59          HD11      LEU  59  13.125  -3.618  -8.127
  457   HD12  LEU  59          HD12      LEU  59  11.535  -3.405  -7.387
  458   HD13  LEU  59          HD13      LEU  59  11.677  -3.600  -9.135
  459   HD21  LEU  59          HD21      LEU  59  10.289  -1.204  -7.764
  460   HD22  LEU  59          HD22      LEU  59  11.020   0.011  -8.813
  461   HD23  LEU  59          HD23      LEU  59  10.435  -1.507  -9.495
  462    H    GLN  60           HN       GLN  60  16.201   0.367  -6.731
  463    HA   GLN  60           HA       GLN  60  16.376   1.245  -9.421
  464    HB2  GLN  60           HB2      GLN  60  18.343   1.603  -7.156
  465    HB3  GLN  60           HB3      GLN  60  18.358   2.493  -8.673
  466    HG2  GLN  60           HG2      GLN  60  16.167   2.557  -6.620
  467    HG3  GLN  60           HG3      GLN  60  17.398   3.794  -6.858
  468   HE21  GLN  60          HE21      GLN  60  17.299   5.108  -8.688
  469   HE22  GLN  60          HE22      GLN  60  15.855   5.264  -9.629
  470    HA   PRO  61           HA       PRO  61  18.941  -2.133 -10.839
  471    HB2  PRO  61           HB2      PRO  61  19.095  -0.637 -13.349
  472    HB3  PRO  61           HB3      PRO  61  18.376  -2.219 -13.033
  473    HG2  PRO  61           HG2      PRO  61  16.882  -0.032 -13.582
  474    HG3  PRO  61           HG3      PRO  61  16.322  -1.331 -12.512
  475    HD2  PRO  61           HD2      PRO  61  17.451   1.353 -11.806
  476    HD3  PRO  61           HD3      PRO  61  16.097   0.467 -11.072
  477    H    SER  62           HN       SER  62  20.754  -1.607  -9.553
  478    HA   SER  62           HA       SER  62  22.649   0.364 -10.333
  479    HG   SER  62           HG       SER  62  23.543  -2.802  -8.056
  480    HB2  SER  62           HB2      SER  62  24.167  -0.930  -8.762
  481    HB3  SER  62           HB3      SER  62  22.660  -0.349  -8.055
  482    H    SER  63           HN       SER  63  21.889  -2.732 -11.517
  483    HA   SER  63           HA       SER  63  24.385  -3.524 -12.553
  484    HG   SER  63           HG       SER  63  21.600  -5.817 -12.216
  485    HB2  SER  63           HB2      SER  63  21.623  -4.131 -13.633
  486    HB3  SER  63           HB3      SER  63  23.097  -5.046 -13.950
  487    H    GLN  64           HN       GLN  64  25.179  -3.374 -14.706
  488    HA   GLN  64           HA       GLN  64  24.533  -0.763 -15.865
  489    HB2  GLN  64           HB2      GLN  64  26.910  -2.580 -16.298
  490    HB3  GLN  64           HB3      GLN  64  26.720  -0.973 -16.986
  491    HG2  GLN  64           HG2      GLN  64  26.909  -1.625 -14.050
  492    HG3  GLN  64           HG3      GLN  64  28.197  -0.954 -15.050
  493   HE21  GLN  64          HE21      GLN  64  25.216  -0.316 -13.399
  494   HE22  GLN  64          HE22      GLN  64  25.256   1.404 -13.562
  495    H    GLY  65           HN       GLY  65  22.997  -3.330 -16.353
  496    HA2  GLY  65           HA1      GLY  65  21.639  -3.761 -18.214
  497    HA3  GLY  65           HA2      GLY  65  22.792  -2.907 -19.226
  498    H    GLY  66           HN       GLY  66  24.995  -4.048 -19.378
  499    HA2  GLY  66           HA1      GLY  66  24.961  -6.913 -19.137
  500    HA3  GLY  66           HA2      GLY  66  24.753  -6.370 -20.796
  501    H    SER  67           HN       SER  67  26.836  -7.648 -20.964
  502    HA   SER  67           HA       SER  67  29.040  -5.743 -20.670
  503    HG   SER  67           HG       SER  67  31.085  -6.582 -20.230
  504    HB2  SER  67           HB2      SER  67  29.131  -7.401 -18.797
  505    HB3  SER  67           HB3      SER  67  29.280  -8.686 -19.993
  506    H    LEU  68           HN       LEU  68  28.040  -5.670 -22.981
  507    HA   LEU  68           HA       LEU  68  29.524  -7.582 -24.658
  508    HG   LEU  68           HG       LEU  68  27.814  -8.851 -25.908
  509    HB2  LEU  68           HB2      LEU  68  26.993  -6.058 -25.109
  510    HB3  LEU  68           HB3      LEU  68  27.998  -6.445 -26.491
  511   HD11  LEU  68          HD11      LEU  68  27.408  -8.639 -23.524
  512   HD12  LEU  68          HD12      LEU  68  25.850  -7.876 -23.844
  513   HD13  LEU  68          HD13      LEU  68  26.117  -9.559 -24.301
  514   HD21  LEU  68          HD21      LEU  68  26.325  -7.873 -27.558
  515   HD22  LEU  68          HD22      LEU  68  25.485  -9.107 -26.617
  516   HD23  LEU  68          HD23      LEU  68  25.198  -7.400 -26.285
  517    H    LEU  69           HN       LEU  69  31.517  -6.545 -24.593
  518    HA   LEU  69           HA       LEU  69  31.715  -3.776 -25.424
  519    HG   LEU  69           HG       LEU  69  34.692  -3.964 -26.373
  520    HB2  LEU  69           HB2      LEU  69  33.303  -4.715 -23.794
  521    HB3  LEU  69           HB3      LEU  69  33.865  -5.856 -25.000
  522   HD11  LEU  69          HD11      LEU  69  33.174  -2.231 -25.603
  523   HD12  LEU  69          HD12      LEU  69  33.883  -2.302 -23.989
  524   HD13  LEU  69          HD13      LEU  69  34.849  -1.739 -25.353
  525   HD21  LEU  69          HD21      LEU  69  36.183  -5.136 -24.823
  526   HD22  LEU  69          HD22      LEU  69  36.606  -3.429 -24.962
  527   HD23  LEU  69          HD23      LEU  69  35.736  -4.008 -23.542
  528    H    ALA  70           HN       ALA  70  32.675  -6.931 -26.693
  529    HA   ALA  70           HA       ALA  70  32.114  -5.946 -29.384
  530    HB1  ALA  70           HB1      ALA  70  34.144  -6.957 -30.286
  531    HB2  ALA  70           HB2      ALA  70  34.541  -5.721 -29.092
  532    HB3  ALA  70           HB3      ALA  70  34.644  -7.429 -28.662
  533    HA   PRO  71           HA       PRO  71  30.228 -10.074 -29.080
  534    HB2  PRO  71           HB2      PRO  71  28.124  -9.544 -30.646
  535    HB3  PRO  71           HB3      PRO  71  28.182  -8.974 -28.972
  536    HG2  PRO  71           HG2      PRO  71  28.725  -7.480 -31.508
  537    HG3  PRO  71           HG3      PRO  71  27.832  -6.957 -30.067
  538    HD2  PRO  71           HD2      PRO  71  30.452  -6.285 -30.601
  539    HD3  PRO  71           HD3      PRO  71  29.741  -6.319 -28.977
  540    H    VAL  72           HN       VAL  72  32.474  -9.706 -30.563
  541    HA   VAL  72           HA       VAL  72  31.952  -9.868 -33.384
  542    HB   VAL  72           HB       VAL  72  33.908  -8.675 -32.635
  543   HG11  VAL  72          HG11      VAL  72  34.897 -11.291 -31.516
  544   HG12  VAL  72          HG12      VAL  72  35.823  -9.794 -31.616
  545   HG13  VAL  72          HG13      VAL  72  34.396  -9.881 -30.583
  546   HG21  VAL  72          HG21      VAL  72  34.008  -9.711 -34.808
  547   HG22  VAL  72          HG22      VAL  72  35.599  -9.752 -34.049
  548   HG23  VAL  72          HG23      VAL  72  34.608 -11.210 -34.097
  549    H    ALA  73           HN       ALA  73  31.588 -11.611 -34.521
  550    HA   ALA  73           HA       ALA  73  31.693 -14.180 -33.150
  551    HB1  ALA  73           HB1      ALA  73  30.442 -13.427 -35.787
  552    HB2  ALA  73           HB2      ALA  73  30.280 -14.983 -34.972
  553    HB3  ALA  73           HB3      ALA  73  29.609 -13.526 -34.236
  554    H    ARG  74           HN       ARG  74  32.561 -12.944 -36.381
  555    HA   ARG  74           HA       ARG  74  34.385 -15.232 -36.658
  556    HE   ARG  74           HE       ARG  74  31.191 -11.656 -40.180
  557    HB2  ARG  74           HB2      ARG  74  34.154 -14.746 -39.145
  558    HB3  ARG  74           HB3      ARG  74  32.732 -15.385 -38.333
  559    HG2  ARG  74           HG2      ARG  74  31.810 -13.118 -38.180
  560    HG3  ARG  74           HG3      ARG  74  33.229 -12.497 -39.025
  561    HD2  ARG  74           HD2      ARG  74  32.661 -13.878 -40.967
  562    HD3  ARG  74           HD3      ARG  74  31.236 -14.478 -40.118
  563   HH11  ARG  74          HH12      ARG  74  30.767 -14.421 -42.290
  564   HH12  ARG  74          HH11      ARG  74  29.702 -13.581 -43.372
  565   HH21  ARG  74          HH22      ARG  74  29.804 -10.560 -41.596
  566   HH22  ARG  74          HH21      ARG  74  29.135 -11.386 -42.970
  567    H    ASN  75           HN       ASN  75  35.924 -13.940 -35.411
  568    HA   ASN  75           HA       ASN  75  37.968 -12.957 -35.331
  569    HB2  ASN  75           HB2      ASN  75  38.291 -13.960 -37.619
  570    HB3  ASN  75           HB3      ASN  75  37.736 -12.438 -38.303
  571   HD21  ASN  75          HD21      ASN  75  40.295 -13.782 -38.579
  572   HD22  ASN  75          HD22      ASN  75  41.494 -12.658 -38.030
  573    H    GLY  76           HN       GLY  76  36.411 -11.039 -37.898
  574    HA2  GLY  76           HA1      GLY  76  35.681  -8.874 -37.955
  575    HA3  GLY  76           HA2      GLY  76  35.384  -9.042 -36.236
  576    H    ARG  77           HN       ARG  77  38.598  -9.443 -37.468
  577    HA   ARG  77           HA       ARG  77  40.514  -8.281 -37.176
  578    HE   ARG  77           HE       ARG  77  38.467  -4.337 -38.290
  579    HB2  ARG  77           HB2      ARG  77  39.586  -6.731 -38.756
  580    HB3  ARG  77           HB3      ARG  77  38.602  -5.970 -37.515
  581    HG2  ARG  77           HG2      ARG  77  40.547  -5.042 -36.465
  582    HG3  ARG  77           HG3      ARG  77  41.609  -5.917 -37.571
  583    HD2  ARG  77           HD2      ARG  77  41.221  -3.490 -38.113
  584    HD3  ARG  77           HD3      ARG  77  40.890  -4.626 -39.419
  585   HH11  ARG  77          HH12      ARG  77  40.860  -1.965 -39.227
  586   HH12  ARG  77          HH11      ARG  77  39.684  -0.798 -39.753
  587   HH21  ARG  77          HH22      ARG  77  36.907  -2.827 -38.994
  588   HH22  ARG  77          HH21      ARG  77  37.428  -1.289 -39.636
  589    H    LEU  78           HN       LEU  78  40.593  -9.193 -35.048
  590    HA   LEU  78           HA       LEU  78  40.918  -7.163 -33.026
  591    HG   LEU  78           HG       LEU  78  40.207  -8.864 -30.516
  592    HB2  LEU  78           HB2      LEU  78  38.539  -7.778 -32.790
  593    HB3  LEU  78           HB3      LEU  78  38.999  -9.459 -32.599
  594   HD11  LEU  78          HD11      LEU  78  39.823  -6.681 -29.498
  595   HD12  LEU  78          HD12      LEU  78  40.694  -6.537 -31.025
  596   HD13  LEU  78          HD13      LEU  78  38.974  -6.151 -30.950
  597   HD21  LEU  78          HD21      LEU  78  37.300  -8.066 -30.608
  598   HD22  LEU  78          HD22      LEU  78  37.931  -9.700 -30.399
  599   HD23  LEU  78          HD23      LEU  78  38.205  -8.485 -29.152
  600    H1   GLY   1           H1       GLY   1 -23.611  11.548  -8.271
  601    H2   GLY   1           H2       GLY   1 -21.950  11.257  -8.443
  602    H3   GLY   1           H3       GLY   1 -22.995   9.988  -8.020
  603    HA2  GLY   1           HA2      GLY   1 -24.108  10.167 -10.167
  604    HA3  GLY   1           HA1      GLY   1 -22.990  11.453 -10.601
  605    HA   PRO   2           HA       PRO   2 -20.664   7.298 -10.824
  606    HB2  PRO   2           HB2      PRO   2 -22.465   5.173 -11.256
  607    HB3  PRO   2           HB3      PRO   2 -21.583   5.520  -9.771
  608    HG2  PRO   2           HG2      PRO   2 -24.361   5.679 -10.130
  609    HG3  PRO   2           HG3      PRO   2 -23.443   6.321  -8.760
  610    HD2  PRO   2           HD2      PRO   2 -24.513   7.729 -11.157
  611    HD3  PRO   2           HD3      PRO   2 -24.295   8.322  -9.494
  612    H    LEU   3           HN       LEU   3 -19.875   7.778 -12.812
  613    HA   LEU   3           HA       LEU   3 -21.551   7.099 -15.144
  614    HG   LEU   3           HG       LEU   3 -19.547   8.015 -17.299
  615    HB2  LEU   3           HB2      LEU   3 -20.792   9.457 -14.954
  616    HB3  LEU   3           HB3      LEU   3 -19.131   8.901 -15.022
  617   HD11  LEU   3          HD11      LEU   3 -21.592   8.688 -18.478
  618   HD12  LEU   3          HD12      LEU   3 -21.931   7.607 -17.125
  619   HD13  LEU   3          HD13      LEU   3 -22.234   9.337 -16.968
  620   HD21  LEU   3          HD21      LEU   3 -18.591  10.230 -17.006
  621   HD22  LEU   3          HD22      LEU   3 -19.654  10.194 -18.412
  622   HD23  LEU   3          HD23      LEU   3 -20.208  10.930 -16.907
  623    H    GLY   4           HN       GLY   4 -18.840   6.202 -13.325
  624    HA2  GLY   4           HA1      GLY   4 -17.365   4.923 -15.437
  625    HA3  GLY   4           HA2      GLY   4 -17.069   4.766 -13.714
  626    H    SER   5           HN       SER   5 -20.284   4.183 -14.553
  627    HA   SER   5           HA       SER   5 -21.612   2.365 -14.736
  628    HG   SER   5           HG       SER   5 -19.813   1.427 -17.727
  629    HB2  SER   5           HB2      SER   5 -19.139   0.883 -15.651
  630    HB3  SER   5           HB3      SER   5 -20.811   0.376 -15.882
  631    H    SER   6           HN       SER   6 -18.737   0.471 -13.906
  632    HA   SER   6           HA       SER   6 -20.221  -0.484 -11.573
  633    HG   SER   6           HG       SER   6 -17.024  -1.215 -12.979
  634    HB2  SER   6           HB2      SER   6 -18.578  -2.407 -11.682
  635    HB3  SER   6           HB3      SER   6 -19.666  -2.264 -13.063
  636    H    ALA   7           HN       ALA   7 -19.700   1.155 -10.150
  637    HA   ALA   7           HA       ALA   7 -16.891   1.227  -9.268
  638    HB1  ALA   7           HB1      ALA   7 -17.821   3.421  -9.804
  639    HB2  ALA   7           HB2      ALA   7 -19.143   3.150  -8.668
  640    HB3  ALA   7           HB3      ALA   7 -17.486   3.289  -8.079
  641    H    GLY   8           HN       GLY   8 -20.182   0.500  -8.401
  642    HA2  GLY   8           HA1      GLY   8 -19.834   0.182  -5.614
  643    HA3  GLY   8           HA2      GLY   8 -21.120  -0.524  -6.583
  644    H    ALA   9           HN       ALA   9 -19.456  -2.025  -8.341
  645    HA   ALA   9           HA       ALA   9 -19.109  -4.412  -6.942
  646    HB1  ALA   9           HB1      ALA   9 -19.343  -4.334  -9.370
  647    HB2  ALA   9           HB2      ALA   9 -17.766  -3.555  -9.507
  648    HB3  ALA   9           HB3      ALA   9 -17.883  -5.210  -8.909
  649    H    LEU  10           HN       LEU  10 -16.750  -1.919  -7.816
  650    HA   LEU  10           HA       LEU  10 -14.479  -3.211  -6.754
  651    HG   LEU  10           HG       LEU  10 -13.205  -0.500  -5.583
  652    HB2  LEU  10           HB2      LEU  10 -14.234  -1.361  -8.288
  653    HB3  LEU  10           HB3      LEU  10 -15.076  -0.284  -7.193
  654   HD11  LEU  10          HD11      LEU  10 -12.377  -2.686  -6.232
  655   HD12  LEU  10          HD12      LEU  10 -11.890  -2.053  -7.804
  656   HD13  LEU  10          HD13      LEU  10 -11.093  -1.482  -6.337
  657   HD21  LEU  10          HD21      LEU  10 -12.416   0.407  -8.346
  658   HD22  LEU  10          HD22      LEU  10 -13.295   1.362  -7.153
  659   HD23  LEU  10          HD23      LEU  10 -11.630   0.875  -6.838
  660    H    LEU  11           HN       LEU  11 -16.704  -0.818  -5.402
  661    HA   LEU  11           HA       LEU  11 -15.501  -0.507  -2.900
  662    HG   LEU  11           HG       LEU  11 -18.356   1.685  -2.024
  663    HB2  LEU  11           HB2      LEU  11 -17.310   0.898  -3.950
  664    HB3  LEU  11           HB3      LEU  11 -18.454  -0.357  -3.535
  665   HD11  LEU  11          HD11      LEU  11 -18.719   0.397   0.002
  666   HD12  LEU  11          HD12      LEU  11 -19.498  -0.368  -1.383
  667   HD13  LEU  11          HD13      LEU  11 -17.986  -1.018  -0.753
  668   HD21  LEU  11          HD21      LEU  11 -15.944   1.899  -1.895
  669   HD22  LEU  11          HD22      LEU  11 -16.639   1.672  -0.291
  670   HD23  LEU  11          HD23      LEU  11 -15.833   0.328  -1.102
  671    H    ALA  12           HN       ALA  12 -18.082  -2.712  -3.944
  672    HA   ALA  12           HA       ALA  12 -18.628  -3.839  -1.445
  673    HB1  ALA  12           HB1      ALA  12 -19.762  -5.603  -2.657
  674    HB2  ALA  12           HB2      ALA  12 -20.102  -4.038  -3.393
  675    HB3  ALA  12           HB3      ALA  12 -18.945  -5.133  -4.147
  676    H    HIS  13           HN       HIS  13 -16.516  -5.111  -4.047
  677    HA   HIS  13           HA       HIS  13 -15.850  -7.396  -2.478
  678    HD1  HIS  13           HD1      HIS  13 -12.204  -7.699  -4.653
  679    HD2  HIS  13           HD2      HIS  13 -14.711  -4.707  -6.083
  680    HE1  HIS  13           HE1      HIS  13 -10.729  -6.148  -5.970
  681    HE2  HIS  13           HE2      HIS  13 -12.307  -4.492  -7.007
  682    HB2  HIS  13           HB2      HIS  13 -14.634  -8.190  -4.270
  683    HB3  HIS  13           HB3      HIS  13 -15.813  -7.164  -5.064
  684    H    ALA  14           HN       ALA  14 -14.472  -4.219  -2.807
  685    HA   ALA  14           HA       ALA  14 -11.930  -4.807  -1.692
  686    HB1  ALA  14           HB1      ALA  14 -12.357  -2.716  -2.886
  687    HB2  ALA  14           HB2      ALA  14 -13.481  -2.218  -1.621
  688    HB3  ALA  14           HB3      ALA  14 -11.768  -2.409  -1.252
  689    H    ALA  15           HN       ALA  15 -14.966  -3.615  -0.264
  690    HA   ALA  15           HA       ALA  15 -14.090  -3.654   2.422
  691    HB1  ALA  15           HB1      ALA  15 -16.890  -3.926   1.322
  692    HB2  ALA  15           HB2      ALA  15 -16.476  -3.567   2.998
  693    HB3  ALA  15           HB3      ALA  15 -16.071  -2.418   1.722
  694    H    SER  16           HN       SER  16 -15.577  -6.061   0.344
  695    HA   SER  16           HA       SER  16 -16.112  -8.046   2.227
  696    HG   SER  16           HG       SER  16 -16.659 -10.108   1.130
  697    HB2  SER  16           HB2      SER  16 -16.899  -8.130  -0.113
  698    HB3  SER  16           HB3      SER  16 -15.242  -8.399  -0.656
  699    H    LEU  17           HN       LEU  17 -13.124  -7.288   0.482
  700    HA   LEU  17           HA       LEU  17 -11.700  -9.475   1.720
  701    HG   LEU  17           HG       LEU  17 -12.042  -8.633  -1.291
  702    HB2  LEU  17           HB2      LEU  17 -10.695  -7.136   0.103
  703    HB3  LEU  17           HB3      LEU  17  -9.716  -8.493   0.626
  704   HD11  LEU  17          HD11      LEU  17 -10.330  -9.170  -2.945
  705   HD12  LEU  17          HD12      LEU  17 -10.070  -7.572  -2.245
  706   HD13  LEU  17          HD13      LEU  17  -9.076  -8.934  -1.727
  707   HD21  LEU  17          HD21      LEU  17 -11.407 -10.957  -1.597
  708   HD22  LEU  17          HD22      LEU  17 -10.140 -10.789  -0.383
  709   HD23  LEU  17          HD23      LEU  17 -11.833 -10.651   0.087
  710    H    GLY  18           HN       GLY  18 -12.327  -6.146   2.378
  711    HA2  GLY  18           HA1      GLY  18 -11.958  -5.030   4.388
  712    HA3  GLY  18           HA2      GLY  18 -10.946  -6.365   4.921
  713    H    VAL  19           HN       VAL  19 -10.520  -4.784   1.843
  714    HA   VAL  19           HA       VAL  19  -7.797  -4.103   2.495
  715    HB   VAL  19           HB       VAL  19  -9.383  -3.396   0.015
  716   HG11  VAL  19          HG11      VAL  19  -7.151  -3.177  -1.027
  717   HG12  VAL  19          HG12      VAL  19  -7.432  -1.998   0.255
  718   HG13  VAL  19          HG13      VAL  19  -6.418  -3.408   0.561
  719   HG21  VAL  19          HG21      VAL  19  -8.285  -5.322  -1.027
  720   HG22  VAL  19          HG22      VAL  19  -7.545  -5.738   0.518
  721   HG23  VAL  19          HG23      VAL  19  -9.298  -5.815   0.330
  722    H    ARG  20           HN       ARG  20  -7.153  -2.267   3.384
  723    HA   ARG  20           HA       ARG  20  -8.987   0.046   3.308
  724    HE   ARG  20           HE       ARG  20 -10.496  -3.031   7.236
  725    HB2  ARG  20           HB2      ARG  20  -7.158  -0.672   5.604
  726    HB3  ARG  20           HB3      ARG  20  -8.406   0.565   5.579
  727    HG2  ARG  20           HG2      ARG  20 -10.135  -1.070   5.565
  728    HG3  ARG  20           HG3      ARG  20  -8.975  -2.376   5.310
  729    HD2  ARG  20           HD2      ARG  20  -7.938  -1.748   7.503
  730    HD3  ARG  20           HD3      ARG  20  -9.293  -0.649   7.757
  731   HH11  ARG  20          HH12      ARG  20  -8.035  -1.995   9.510
  732   HH12  ARG  20          HH11      ARG  20  -8.470  -3.189  10.706
  733   HH21  ARG  20          HH22      ARG  20 -11.048  -4.605   8.806
  734   HH22  ARG  20          HH21      ARG  20 -10.165  -4.668  10.298
  735    H    LEU  21           HN       LEU  21  -8.112   1.931   2.663
  736    HA   LEU  21           HA       LEU  21  -5.208   2.284   2.857
  737    HG   LEU  21           HG       LEU  21  -4.628   0.970   0.920
  738    HB2  LEU  21           HB2      LEU  21  -6.892   2.848   0.417
  739    HB3  LEU  21           HB3      LEU  21  -5.288   3.508   0.653
  740   HD11  LEU  21          HD11      LEU  21  -7.087   0.814  -0.813
  741   HD12  LEU  21          HD12      LEU  21  -5.924  -0.480  -0.533
  742   HD13  LEU  21          HD13      LEU  21  -6.914   0.118   0.799
  743   HD21  LEU  21          HD21      LEU  21  -5.215   2.254  -1.740
  744   HD22  LEU  21          HD22      LEU  21  -3.770   2.512  -0.760
  745   HD23  LEU  21          HD23      LEU  21  -4.095   0.922  -1.450
  746    H    TRP  22           HN       TRP  22  -4.736   4.107   3.884
  747    HA   TRP  22           HA       TRP  22  -6.476   6.426   3.541
  748    HD1  TRP  22           HD1      TRP  22  -4.623   6.917   7.655
  749    HE1  TRP  22           HE1      TRP  22  -3.413   5.130   9.054
  750    HE3  TRP  22           HE3      TRP  22  -6.488   2.722   5.401
  751    HZ2  TRP  22           HZ2      TRP  22  -3.260   2.310   9.181
  752    HZ3  TRP  22           HZ3      TRP  22  -5.755   0.520   6.221
  753    HH2  TRP  22           HH2      TRP  22  -4.177   0.320   8.068
  754    HB2  TRP  22           HB2      TRP  22  -6.571   6.871   5.942
  755    HB3  TRP  22           HB3      TRP  22  -7.292   5.309   5.572
  756    H    VAL  23           HN       VAL  23  -5.414   8.369   3.632
  757    HA   VAL  23           HA       VAL  23  -2.530   8.196   3.512
  758    HB   VAL  23           HB       VAL  23  -3.609   9.537   1.818
  759   HG11  VAL  23          HG11      VAL  23  -4.680  11.736   2.509
  760   HG12  VAL  23          HG12      VAL  23  -5.615  10.268   2.796
  761   HG13  VAL  23          HG13      VAL  23  -4.776  11.052   4.131
  762   HG21  VAL  23          HG21      VAL  23  -2.348  11.620   2.047
  763   HG22  VAL  23          HG22      VAL  23  -2.093  11.277   3.759
  764   HG23  VAL  23          HG23      VAL  23  -1.386  10.224   2.534
  765    H    GLU  24           HN       GLU  24  -1.229   8.567   5.146
  766    HA   GLU  24           HA       GLU  24  -2.305   9.984   7.490
  767    HB2  GLU  24           HB2      GLU  24  -1.537   7.471   7.552
  768    HB3  GLU  24           HB3      GLU  24   0.078   8.159   7.590
  769    HG2  GLU  24           HG2      GLU  24  -2.106   8.708   9.587
  770    HG3  GLU  24           HG3      GLU  24  -0.765   7.593   9.814
  771    H    GLY  25           HN       GLY  25  -1.687  12.044   7.193
  772    HA2  GLY  25           HA1      GLY  25  -0.287  13.862   7.111
  773    HA3  GLY  25           HA2      GLY  25   1.059  12.768   7.402
  774    H    GLU  26           HN       GLU  26   2.091  11.793   5.644
  775    HA   GLU  26           HA       GLU  26   1.619  13.121   3.052
  776    HB2  GLU  26           HB2      GLU  26   3.738  13.829   3.923
  777    HB3  GLU  26           HB3      GLU  26   4.180  12.184   4.356
  778    HG2  GLU  26           HG2      GLU  26   3.975  11.727   1.812
  779    HG3  GLU  26           HG3      GLU  26   4.124  13.476   1.665
  780    H    ARG  27           HN       ARG  27   2.066  10.106   4.736
  781    HA   ARG  27           HA       ARG  27   2.533   8.739   2.183
  782    HE   ARG  27           HE       ARG  27   5.141   9.045   2.491
  783    HB2  ARG  27           HB2      ARG  27   4.237   8.633   4.100
  784    HB3  ARG  27           HB3      ARG  27   3.084   7.569   4.894
  785    HG2  ARG  27           HG2      ARG  27   4.814   6.318   3.722
  786    HG3  ARG  27           HG3      ARG  27   3.217   6.004   3.041
  787    HD2  ARG  27           HD2      ARG  27   5.048   6.339   1.352
  788    HD3  ARG  27           HD3      ARG  27   3.651   7.397   1.164
  789   HH11  ARG  27          HH12      ARG  27   6.310   6.717   0.151
  790   HH12  ARG  27          HH11      ARG  27   7.636   7.709  -0.356
  791   HH21  ARG  27          HH22      ARG  27   6.865  10.359   1.828
  792   HH22  ARG  27          HH21      ARG  27   7.945   9.799   0.572
  793    H    LEU  28           HN       LEU  28   1.073   7.460   1.399
  794    HA   LEU  28           HA       LEU  28  -1.403   6.860   2.603
  795    HG   LEU  28           HG       LEU  28  -2.307   5.307  -0.688
  796    HB2  LEU  28           HB2      LEU  28  -0.830   6.942   0.141
  797    HB3  LEU  28           HB3      LEU  28  -0.019   5.406   0.338
  798   HD11  LEU  28          HD11      LEU  28  -1.304   3.325   0.268
  799   HD12  LEU  28          HD12      LEU  28  -1.908   3.764   1.867
  800   HD13  LEU  28          HD13      LEU  28  -3.040   3.352   0.578
  801   HD21  LEU  28          HD21      LEU  28  -4.235   5.430   0.833
  802   HD22  LEU  28          HD22      LEU  28  -3.171   6.041   2.100
  803   HD23  LEU  28          HD23      LEU  28  -3.424   6.983   0.631
  804    H    ARG  29           HN       ARG  29  -1.842   5.418   4.145
  805    HA   ARG  29           HA       ARG  29   0.044   3.242   4.675
  806    HE   ARG  29           HE       ARG  29   1.939   4.833   8.362
  807    HB2  ARG  29           HB2      ARG  29  -1.971   4.700   6.257
  808    HB3  ARG  29           HB3      ARG  29  -1.897   2.974   6.566
  809    HG2  ARG  29           HG2      ARG  29  -0.504   4.137   8.137
  810    HG3  ARG  29           HG3      ARG  29   0.509   3.187   7.050
  811    HD2  ARG  29           HD2      ARG  29   1.083   5.162   5.790
  812    HD3  ARG  29           HD3      ARG  29  -0.040   6.136   6.743
  813   HH11  ARG  29          HH12      ARG  29   1.369   7.604   6.304
  814   HH12  ARG  29          HH11      ARG  29   2.532   8.602   7.113
  815   HH21  ARG  29          HH22      ARG  29   3.500   6.132   9.398
  816   HH22  ARG  29          HH21      ARG  29   3.776   7.757   8.850
  817    H    PHE  30           HN       PHE  30  -0.403   1.180   4.211
  818    HA   PHE  30           HA       PHE  30  -2.963   0.635   2.872
  819    HD1  PHE  30           HD2      PHE  30  -3.258  -2.156   2.028
  820    HD2  PHE  30           HD1      PHE  30  -0.854   0.431  -0.345
  821    HE1  PHE  30           HE2      PHE  30  -4.501  -2.846   0.022
  822    HE2  PHE  30           HE1      PHE  30  -2.091  -0.252  -2.353
  823    HZ   PHE  30           HZ       PHE  30  -3.916  -1.896  -2.173
  824    HB2  PHE  30           HB2      PHE  30  -0.457   0.326   1.886
  825    HB3  PHE  30           HB3      PHE  30  -0.701  -1.264   2.596
  826    H    GLN  31           HN       GLN  31  -4.092  -1.270   3.353
  827    HA   GLN  31           HA       GLN  31  -3.066  -3.061   5.402
  828    HB2  GLN  31           HB2      GLN  31  -4.307  -1.262   6.613
  829    HB3  GLN  31           HB3      GLN  31  -5.747  -1.686   5.698
  830    HG2  GLN  31           HG2      GLN  31  -5.859  -2.666   7.882
  831    HG3  GLN  31           HG3      GLN  31  -5.676  -3.937   6.674
  832   HE21  GLN  31          HE21      GLN  31  -3.020  -1.911   7.673
  833   HE22  GLN  31          HE22      GLN  31  -2.152  -3.139   8.520
  834    H    ALA  32           HN       ALA  32  -3.251  -4.980   4.418
  835    HA   ALA  32           HA       ALA  32  -5.827  -5.756   3.318
  836    HB1  ALA  32           HB1      ALA  32  -4.881  -6.528   1.208
  837    HB2  ALA  32           HB2      ALA  32  -4.645  -4.791   1.402
  838    HB3  ALA  32           HB3      ALA  32  -3.300  -5.901   1.673
  839    HA   PRO  33           HA       PRO  33  -4.690  -9.541   5.383
  840    HB2  PRO  33           HB2      PRO  33  -6.635 -10.727   3.482
  841    HB3  PRO  33           HB3      PRO  33  -6.598 -10.804   5.246
  842    HG2  PRO  33           HG2      PRO  33  -8.378  -9.274   3.997
  843    HG3  PRO  33           HG3      PRO  33  -7.591  -8.718   5.487
  844    HD2  PRO  33           HD2      PRO  33  -7.017  -7.967   2.644
  845    HD3  PRO  33           HD3      PRO  33  -7.077  -6.937   4.092
  846    HA   PRO  34           HA       PRO  34  -1.697 -11.446   2.788
  847    HB2  PRO  34           HB2      PRO  34  -1.833 -14.042   3.705
  848    HB3  PRO  34           HB3      PRO  34  -0.950 -12.739   4.506
  849    HG2  PRO  34           HG2      PRO  34  -3.660 -13.848   5.108
  850    HG3  PRO  34           HG3      PRO  34  -2.388 -13.327   6.228
  851    HD2  PRO  34           HD2      PRO  34  -4.533 -11.798   5.702
  852    HD3  PRO  34           HD3      PRO  34  -2.931 -11.091   6.003
  853    H    GLY  35           HN       GLY  35  -2.010 -11.838   0.700
  854    HA2  GLY  35           HA1      GLY  35  -2.305 -13.654  -0.894
  855    HA3  GLY  35           HA2      GLY  35  -3.760 -14.095  -0.018
  856    H    VAL  36           HN       VAL  36  -4.707 -11.327   0.213
  857    HA   VAL  36           HA       VAL  36  -6.118 -11.373  -2.302
  858    HB   VAL  36           HB       VAL  36  -7.557  -9.668  -1.378
  859   HG11  VAL  36          HG11      VAL  36  -8.380 -10.841   0.607
  860   HG12  VAL  36          HG12      VAL  36  -7.964 -11.964  -0.688
  861   HG13  VAL  36          HG13      VAL  36  -6.876 -11.758   0.684
  862   HG21  VAL  36          HG21      VAL  36  -5.584  -9.521   0.900
  863   HG22  VAL  36          HG22      VAL  36  -5.910  -8.261  -0.291
  864   HG23  VAL  36          HG23      VAL  36  -7.157  -8.726   0.869
  865    H    MET  37           HN       MET  37  -3.280  -9.969  -1.366
  866    HA   MET  37           HA       MET  37  -3.661  -7.361  -2.542
  867    HB2  MET  37           HB2      MET  37  -2.209  -7.878  -0.514
  868    HB3  MET  37           HB3      MET  37  -1.049  -8.565  -1.641
  869    HG2  MET  37           HG2      MET  37  -0.257  -6.417  -1.307
  870    HG3  MET  37           HG3      MET  37  -1.149  -6.285  -2.819
  871    HE1  MET  37           HE1      MET  37  -4.344  -4.322  -1.809
  872    HE2  MET  37           HE2      MET  37  -3.362  -4.936  -3.138
  873    HE3  MET  37           HE3      MET  37  -4.169  -6.061  -2.047
  874    H    THR  38           HN       THR  38  -3.766  -9.920  -4.191
  875    HA   THR  38           HA       THR  38  -1.564 -10.256  -5.823
  876    HB   THR  38           HB       THR  38  -3.197 -11.005  -7.582
  877    HG1  THR  38           HG1      THR  38  -5.385 -10.952  -7.096
  878   HG21  THR  38          HG21      THR  38  -3.664 -12.073  -4.793
  879   HG22  THR  38          HG22      THR  38  -2.367 -12.561  -5.883
  880   HG23  THR  38          HG23      THR  38  -4.044 -12.914  -6.298
  881    HA   PRO  39           HA       PRO  39  -0.927  -6.577  -8.176
  882    HB2  PRO  39           HB2      PRO  39  -0.563  -8.422 -10.486
  883    HB3  PRO  39           HB3      PRO  39   0.508  -7.156  -9.874
  884    HG2  PRO  39           HG2      PRO  39   1.054  -9.719  -9.425
  885    HG3  PRO  39           HG3      PRO  39   1.343  -8.494  -8.175
  886    HD2  PRO  39           HD2      PRO  39  -0.860 -10.501  -8.394
  887    HD3  PRO  39           HD3      PRO  39  -0.011  -9.908  -6.952
  888    H    GLU  40           HN       GLU  40  -3.032  -9.092  -9.457
  889    HA   GLU  40           HA       GLU  40  -4.422  -7.600 -11.372
  890    HB2  GLU  40           HB2      GLU  40  -4.607 -10.054 -11.089
  891    HB3  GLU  40           HB3      GLU  40  -5.462  -9.804  -9.576
  892    HG2  GLU  40           HG2      GLU  40  -7.016 -10.354 -11.320
  893    HG3  GLU  40           HG3      GLU  40  -7.276  -8.690 -10.803
  894    H    LEU  41           HN       LEU  41  -5.116  -8.131  -7.916
  895    HA   LEU  41           HA       LEU  41  -7.406  -6.487  -7.814
  896    HG   LEU  41           HG       LEU  41  -7.645  -5.415  -5.457
  897    HB2  LEU  41           HB2      LEU  41  -6.735  -8.150  -6.063
  898    HB3  LEU  41           HB3      LEU  41  -5.471  -7.039  -5.565
  899   HD11  LEU  41          HD11      LEU  41  -9.175  -7.221  -6.004
  900   HD12  LEU  41          HD12      LEU  41  -8.581  -8.152  -4.629
  901   HD13  LEU  41          HD13      LEU  41  -9.445  -6.639  -4.360
  902   HD21  LEU  41          HD21      LEU  41  -5.954  -5.634  -3.726
  903   HD22  LEU  41          HD22      LEU  41  -7.571  -5.740  -3.030
  904   HD23  LEU  41          HD23      LEU  41  -6.612  -7.202  -3.260
  905    H    GLN  42           HN       GLN  42  -3.993  -5.883  -7.114
  906    HA   GLN  42           HA       GLN  42  -4.190  -3.265  -6.193
  907    HB2  GLN  42           HB2      GLN  42  -2.163  -4.645  -6.029
  908    HB3  GLN  42           HB3      GLN  42  -1.941  -4.530  -7.768
  909    HG2  GLN  42           HG2      GLN  42  -0.457  -3.019  -6.583
  910    HG3  GLN  42           HG3      GLN  42  -1.605  -2.133  -7.587
  911   HE21  GLN  42          HE21      GLN  42  -3.202  -0.905  -6.612
  912   HE22  GLN  42          HE22      GLN  42  -3.135  -0.474  -4.939
  913    H    SER  43           HN       SER  43  -3.884  -4.479  -9.501
  914    HA   SER  43           HA       SER  43  -3.717  -1.922 -10.727
  915    HG   SER  43           HG       SER  43  -4.135  -2.041 -12.954
  916    HB2  SER  43           HB2      SER  43  -2.957  -4.058 -11.772
  917    HB3  SER  43           HB3      SER  43  -4.644  -4.534 -11.945
  918    H    ARG  44           HN       ARG  44  -6.378  -3.992  -9.759
  919    HA   ARG  44           HA       ARG  44  -8.381  -2.495 -11.170
  920    HE   ARG  44           HE       ARG  44  -8.726  -7.336 -12.280
  921    HB2  ARG  44           HB2      ARG  44  -8.618  -4.534  -8.953
  922    HB3  ARG  44           HB3      ARG  44  -9.988  -3.833  -9.808
  923    HG2  ARG  44           HG2      ARG  44  -9.180  -4.780 -11.900
  924    HG3  ARG  44           HG3      ARG  44  -7.782  -5.456 -11.059
  925    HD2  ARG  44           HD2      ARG  44  -9.339  -6.762  -9.637
  926    HD3  ARG  44           HD3      ARG  44 -10.679  -6.159 -10.614
  927   HH11  ARG  44          HH12      ARG  44 -11.202  -8.206  -9.959
  928   HH12  ARG  44          HH11      ARG  44 -11.436  -9.796 -10.615
  929   HH21  ARG  44          HH22      ARG  44  -9.066  -9.390 -13.174
  930   HH22  ARG  44          HH21      ARG  44 -10.214 -10.473 -12.450
  931    H    LEU  45           HN       LEU  45  -6.965  -2.413  -7.973
  932    HA   LEU  45           HA       LEU  45  -8.731  -0.546  -6.805
  933    HG   LEU  45           HG       LEU  45  -7.145  -2.962  -5.763
  934    HB2  LEU  45           HB2      LEU  45  -5.768  -0.962  -6.345
  935    HB3  LEU  45           HB3      LEU  45  -6.809   0.007  -5.323
  936   HD11  LEU  45          HD11      LEU  45  -5.069  -2.524  -4.597
  937   HD12  LEU  45          HD12      LEU  45  -5.900  -1.455  -3.468
  938   HD13  LEU  45          HD13      LEU  45  -6.262  -3.181  -3.478
  939   HD21  LEU  45          HD21      LEU  45  -8.639  -2.795  -3.817
  940   HD22  LEU  45          HD22      LEU  45  -8.430  -1.045  -3.820
  941   HD23  LEU  45          HD23      LEU  45  -9.219  -1.841  -5.182
  942    H    GLY  46           HN       GLY  46  -5.959  -0.269  -8.915
  943    HA2  GLY  46           HA1      GLY  46  -5.702   1.308 -10.599
  944    HA3  GLY  46           HA2      GLY  46  -6.989   2.256  -9.876
  945    H    GLY  47           HN       GLY  47  -5.535   2.016  -7.223
  946    HA2  GLY  47           HA1      GLY  47  -3.985   3.214  -6.016
  947    HA3  GLY  47           HA2      GLY  47  -3.042   3.349  -7.494
  948    H    ALA  48           HN       ALA  48  -6.182   4.458  -7.950
  949    HA   ALA  48           HA       ALA  48  -5.233   7.135  -8.327
  950    HB1  ALA  48           HB1      ALA  48  -7.511   7.605  -9.093
  951    HB2  ALA  48           HB2      ALA  48  -6.855   6.161  -9.864
  952    HB3  ALA  48           HB3      ALA  48  -8.021   6.006  -8.552
  953    H    ARG  49           HN       ARG  49  -5.990   8.996  -7.291
  954    HA   ARG  49           HA       ARG  49  -6.060   8.765  -4.497
  955    HE   ARG  49           HE       ARG  49  -5.141  13.115  -5.047
  956    HB2  ARG  49           HB2      ARG  49  -6.413  11.195  -4.492
  957    HB3  ARG  49           HB3      ARG  49  -5.138  10.709  -5.595
  958    HG2  ARG  49           HG2      ARG  49  -6.900  10.836  -7.430
  959    HG3  ARG  49           HG3      ARG  49  -7.896  11.686  -6.245
  960    HD2  ARG  49           HD2      ARG  49  -5.237  12.505  -7.382
  961    HD3  ARG  49           HD3      ARG  49  -6.777  13.352  -7.493
  962   HH11  ARG  49          HH12      ARG  49  -7.583  14.756  -6.963
  963   HH12  ARG  49          HH11      ARG  49  -7.676  16.126  -5.891
  964   HH21  ARG  49          HH22      ARG  49  -5.225  14.920  -3.674
  965   HH22  ARG  49          HH21      ARG  49  -6.334  16.222  -4.019
  966    H    HIS  50           HN       HIS  50  -8.678   9.623  -6.754
  967    HA   HIS  50           HA       HIS  50 -10.610   9.962  -4.726
  968    HD1  HIS  50           HD1      HIS  50 -11.799   7.603  -8.274
  969    HD2  HIS  50           HD2      HIS  50  -9.548  11.046  -8.971
  970    HE1  HIS  50           HE1      HIS  50 -10.830   7.341 -10.579
  971    HE2  HIS  50           HE2      HIS  50  -9.562   9.474 -11.026
  972    HB2  HIS  50           HB2      HIS  50 -12.277   9.686  -6.643
  973    HB3  HIS  50           HB3      HIS  50 -11.142  11.023  -6.741
  974    H    GLU  51           HN       GLU  51  -9.578   7.144  -6.544
  975    HA   GLU  51           HA       GLU  51 -11.729   5.467  -5.773
  976    HB2  GLU  51           HB2      GLU  51  -9.197   5.157  -7.182
  977    HB3  GLU  51           HB3      GLU  51  -9.548   3.785  -6.142
  978    HG2  GLU  51           HG2      GLU  51 -10.402   3.346  -8.330
  979    HG3  GLU  51           HG3      GLU  51 -11.752   3.568  -7.219
  980    H    LEU  52           HN       LEU  52  -8.500   6.041  -4.447
  981    HA   LEU  52           HA       LEU  52  -8.821   4.106  -2.376
  982    HG   LEU  52           HG       LEU  52  -6.519   4.852  -4.509
  983    HB2  LEU  52           HB2      LEU  52  -6.800   6.330  -2.630
  984    HB3  LEU  52           HB3      LEU  52  -6.710   4.988  -1.503
  985   HD11  LEU  52          HD11      LEU  52  -4.569   4.145  -2.330
  986   HD12  LEU  52          HD12      LEU  52  -4.304   3.951  -4.063
  987   HD13  LEU  52          HD13      LEU  52  -4.496   5.562  -3.376
  988   HD21  LEU  52          HD21      LEU  52  -6.590   2.583  -2.522
  989   HD22  LEU  52          HD22      LEU  52  -7.834   2.962  -3.716
  990   HD23  LEU  52          HD23      LEU  52  -6.234   2.436  -4.242
  991    H    ILE  53           HN       ILE  53  -9.584   7.498  -2.676
  992    HA   ILE  53           HA       ILE  53 -10.006   8.025   0.068
  993    HB   ILE  53           HB       ILE  53 -11.343   9.198  -2.375
  994   HG12  ILE  53          HG12      ILE  53  -9.275  10.308  -0.464
  995   HG13  ILE  53          HG13      ILE  53  -8.935   9.683  -2.072
  996   HG21  ILE  53          HG21      ILE  53 -12.212  10.959  -0.895
  997   HG22  ILE  53          HG22      ILE  53 -12.880   9.377  -0.496
  998   HG23  ILE  53          HG23      ILE  53 -11.602  10.073   0.501
  999   HD11  ILE  53          HD11      ILE  53  -8.981  12.110  -2.047
 1000   HD12  ILE  53          HD12      ILE  53 -10.276  11.461  -3.054
 1001   HD13  ILE  53          HD13      ILE  53 -10.638  12.081  -1.444
 1002    H    ALA  54           HN       ALA  54 -12.089   6.667  -2.458
 1003    HA   ALA  54           HA       ALA  54 -14.342   6.235  -0.787
 1004    HB1  ALA  54           HB1      ALA  54 -14.515   6.268  -3.230
 1005    HB2  ALA  54           HB2      ALA  54 -13.558   4.787  -3.316
 1006    HB3  ALA  54           HB3      ALA  54 -15.148   4.765  -2.555
 1007    H    LEU  55           HN       LEU  55 -11.453   4.406  -1.494
 1008    HA   LEU  55           HA       LEU  55 -12.141   1.957  -0.293
 1009    HG   LEU  55           HG       LEU  55  -9.025   1.126  -1.999
 1010    HB2  LEU  55           HB2      LEU  55  -9.747   3.279  -1.273
 1011    HB3  LEU  55           HB3      LEU  55  -9.412   2.323   0.155
 1012   HD11  LEU  55          HD11      LEU  55  -9.429  -0.090   0.071
 1013   HD12  LEU  55          HD12      LEU  55 -11.166  -0.035  -0.227
 1014   HD13  LEU  55          HD13      LEU  55 -10.113  -0.941  -1.314
 1015   HD21  LEU  55          HD21      LEU  55 -10.977   0.307  -3.239
 1016   HD22  LEU  55          HD22      LEU  55 -12.028   1.303  -2.230
 1017   HD23  LEU  55          HD23      LEU  55 -10.849   2.064  -3.299
 1018    H    LEU  56           HN       LEU  56 -10.866   4.956   1.038
 1019    HA   LEU  56           HA       LEU  56 -10.683   3.926   3.720
 1020    HG   LEU  56           HG       LEU  56 -11.418   6.962   4.811
 1021    HB2  LEU  56           HB2      LEU  56  -9.221   5.712   3.158
 1022    HB3  LEU  56           HB3      LEU  56 -10.535   6.682   2.522
 1023   HD11  LEU  56          HD11      LEU  56 -10.047   6.317   6.728
 1024   HD12  LEU  56          HD12      LEU  56 -10.575   4.908   5.806
 1025   HD13  LEU  56          HD13      LEU  56  -8.920   5.497   5.647
 1026   HD21  LEU  56          HD21      LEU  56  -9.693   8.488   5.592
 1027   HD22  LEU  56          HD22      LEU  56  -8.522   7.739   4.505
 1028   HD23  LEU  56          HD23      LEU  56  -9.900   8.620   3.846
 1029    H    ARG  57           HN       ARG  57 -12.951   5.850   1.859
 1030    HA   ARG  57           HA       ARG  57 -14.653   6.662   3.929
 1031    HE   ARG  57           HE       ARG  57 -17.536   6.223   0.116
 1032    HB2  ARG  57           HB2      ARG  57 -14.573   7.597   1.616
 1033    HB3  ARG  57           HB3      ARG  57 -15.382   6.149   1.040
 1034    HG2  ARG  57           HG2      ARG  57 -17.303   6.694   2.490
 1035    HG3  ARG  57           HG3      ARG  57 -16.491   8.194   2.947
 1036    HD2  ARG  57           HD2      ARG  57 -18.080   8.653   1.194
 1037    HD3  ARG  57           HD3      ARG  57 -16.445   8.848   0.567
 1038   HH11  ARG  57          HH12      ARG  57 -17.300   9.489  -1.130
 1039   HH12  ARG  57          HH11      ARG  57 -17.685   9.038  -2.763
 1040   HH21  ARG  57          HH22      ARG  57 -18.078   5.619  -2.027
 1041   HH22  ARG  57          HH21      ARG  57 -18.128   6.836  -3.276
 1042    H    GLN  58           HN       GLN  58 -14.319   3.593   2.398
 1043    HA   GLN  58           HA       GLN  58 -16.962   2.654   3.011
 1044    HB2  GLN  58           HB2      GLN  58 -16.280   0.576   2.134
 1045    HB3  GLN  58           HB3      GLN  58 -15.424   1.772   1.170
 1046    HG2  GLN  58           HG2      GLN  58 -13.420   1.424   2.534
 1047    HG3  GLN  58           HG3      GLN  58 -14.279   0.199   3.465
 1048   HE21  GLN  58          HE21      GLN  58 -11.875  -0.156   1.982
 1049   HE22  GLN  58          HE22      GLN  58 -12.201  -1.335   0.762
 1050    H    LEU  59           HN       LEU  59 -14.032   3.010   4.738
 1051    HA   LEU  59           HA       LEU  59 -14.563   0.865   6.619
 1052    HG   LEU  59           HG       LEU  59 -12.710   1.737   8.835
 1053    HB2  LEU  59           HB2      LEU  59 -12.257   1.487   5.862
 1054    HB3  LEU  59           HB3      LEU  59 -12.437   3.012   6.707
 1055   HD11  LEU  59          HD11      LEU  59 -13.473  -0.375   7.933
 1056   HD12  LEU  59          HD12      LEU  59 -11.935  -0.603   7.101
 1057   HD13  LEU  59          HD13      LEU  59 -11.993  -0.610   8.864
 1058   HD21  LEU  59          HD21      LEU  59 -10.153   1.249   7.305
 1059   HD22  LEU  59          HD22      LEU  59 -10.567   2.715   8.195
 1060   HD23  LEU  59          HD23      LEU  59 -10.336   1.194   9.058
 1061    H    GLN  60           HN       GLN  60 -15.504   4.039   6.188
 1062    HA   GLN  60           HA       GLN  60 -15.565   5.038   8.820
 1063    HB2  GLN  60           HB2      GLN  60 -17.389   5.699   6.492
 1064    HB3  GLN  60           HB3      GLN  60 -17.187   6.666   7.948
 1065    HG2  GLN  60           HG2      GLN  60 -15.003   6.061   5.967
 1066    HG3  GLN  60           HG3      GLN  60 -15.949   7.548   6.012
 1067   HE21  GLN  60          HE21      GLN  60 -15.591   9.034   7.620
 1068   HE22  GLN  60          HE22      GLN  60 -14.212   8.972   8.661
 1069    HA   PRO  61           HA       PRO  61 -18.761   2.294  10.336
 1070    HB2  PRO  61           HB2      PRO  61 -18.572   3.947  12.763
 1071    HB3  PRO  61           HB3      PRO  61 -18.262   2.221  12.555
 1072    HG2  PRO  61           HG2      PRO  61 -16.273   3.981  12.992
 1073    HG3  PRO  61           HG3      PRO  61 -16.059   2.551  11.963
 1074    HD2  PRO  61           HD2      PRO  61 -16.530   5.403  11.172
 1075    HD3  PRO  61           HD3      PRO  61 -15.425   4.206  10.464
 1076    H    SER  62           HN       SER  62 -20.638   2.813   9.346
 1077    HA   SER  62           HA       SER  62 -21.954   5.339   9.922
 1078    HG   SER  62           HG       SER  62 -23.516   2.468   7.575
 1079    HB2  SER  62           HB2      SER  62 -23.712   4.413   8.349
 1080    HB3  SER  62           HB3      SER  62 -22.112   4.623   7.641
 1081    H    SER  63           HN       SER  63 -21.762   2.214  11.141
 1082    HA   SER  63           HA       SER  63 -24.307   1.838  12.267
 1083    HG   SER  63           HG       SER  63 -23.036   0.129  11.181
 1084    HB2  SER  63           HB2      SER  63 -21.651   0.987  13.439
 1085    HB3  SER  63           HB3      SER  63 -23.225   0.242  13.714
 1086    H    GLN  64           HN       GLN  64 -25.043   2.241  14.423
 1087    HA   GLN  64           HA       GLN  64 -24.020   4.810  15.396
 1088    HB2  GLN  64           HB2      GLN  64 -26.650   3.406  15.874
 1089    HB3  GLN  64           HB3      GLN  64 -26.206   4.950  16.587
 1090    HG2  GLN  64           HG2      GLN  64 -26.489   4.378  13.644
 1091    HG3  GLN  64           HG3      GLN  64 -27.640   5.254  14.651
 1092   HE21  GLN  64          HE21      GLN  64 -24.617   5.388  12.975
 1093   HE22  GLN  64          HE22      GLN  64 -24.347   7.081  13.185
 1094    H    GLY  65           HN       GLY  65 -22.787   2.185  16.056
 1095    HA2  GLY  65           HA1      GLY  65 -21.540   1.618  17.944
 1096    HA3  GLY  65           HA2      GLY  65 -22.534   2.706  18.901
 1097    H    GLY  66           HN       GLY  66 -24.967   1.901  18.861
 1098    HA2  GLY  66           HA1      GLY  66 -25.517  -0.849  18.793
 1099    HA3  GLY  66           HA2      GLY  66 -25.009  -0.431  20.423
 1100    H    SER  67           HN       SER  67 -27.343  -1.291  20.659
 1101    HA   SER  67           HA       SER  67 -29.121   1.045  20.626
 1102    HG   SER  67           HG       SER  67 -31.531   0.485  19.377
 1103    HB2  SER  67           HB2      SER  67 -29.728  -0.489  18.763
 1104    HB3  SER  67           HB3      SER  67 -29.986  -1.771  19.944
 1105    H    LEU  68           HN       LEU  68 -28.379   1.231  22.837
 1106    HA   LEU  68           HA       LEU  68 -29.935  -0.537  24.610
 1107    HG   LEU  68           HG       LEU  68 -28.494  -2.054  25.835
 1108    HB2  LEU  68           HB2      LEU  68 -27.151   0.478  24.891
 1109    HB3  LEU  68           HB3      LEU  68 -28.127   0.381  26.341
 1110   HD11  LEU  68          HD11      LEU  68 -28.006  -2.023  23.454
 1111   HD12  LEU  68          HD12      LEU  68 -26.333  -1.574  23.792
 1112   HD13  LEU  68          HD13      LEU  68 -26.944  -3.148  24.300
 1113   HD21  LEU  68          HD21      LEU  68 -26.865  -1.297  27.479
 1114   HD22  LEU  68          HD22      LEU  68 -26.294  -2.735  26.632
 1115   HD23  LEU  68          HD23      LEU  68 -25.647  -1.150  26.213
 1116    H    LEU  69           HN       LEU  69 -31.700   0.924  24.439
 1117    HA   LEU  69           HA       LEU  69 -31.377   3.659  25.263
 1118    HG   LEU  69           HG       LEU  69 -34.324   4.045  26.253
 1119    HB2  LEU  69           HB2      LEU  69 -33.140   2.981  23.684
 1120    HB3  LEU  69           HB3      LEU  69 -33.884   2.003  24.934
 1121   HD11  LEU  69          HD11      LEU  69 -32.493   5.422  25.420
 1122   HD12  LEU  69          HD12      LEU  69 -33.253   5.483  23.830
 1123   HD13  LEU  69          HD13      LEU  69 -34.043   6.236  25.214
 1124   HD21  LEU  69          HD21      LEU  69 -36.034   3.168  24.757
 1125   HD22  LEU  69          HD22      LEU  69 -36.095   4.929  24.818
 1126   HD23  LEU  69          HD23      LEU  69 -35.371   4.121  23.427
 1127    H    ALA  70           HN       ALA  70 -32.674   0.698  26.697
 1128    HA   ALA  70           HA       ALA  70 -32.182   1.847  29.348
 1129    HB1  ALA  70           HB1      ALA  70 -34.314   1.030  30.199
 1130    HB2  ALA  70           HB2      ALA  70 -34.565   2.192  28.898
 1131    HB3  ALA  70           HB3      ALA  70 -34.755   0.466  28.587
 1132    HA   PRO  71           HA       PRO  71 -30.427  -2.389  29.162
 1133    HB2  PRO  71           HB2      PRO  71 -28.403  -1.263  30.939
 1134    HB3  PRO  71           HB3      PRO  71 -28.202  -1.998  29.346
 1135    HG2  PRO  71           HG2      PRO  71 -27.838   0.647  29.784
 1136    HG3  PRO  71           HG3      PRO  71 -28.440   0.006  28.246
 1137    HD2  PRO  71           HD2      PRO  71 -29.966   1.250  30.505
 1138    HD3  PRO  71           HD3      PRO  71 -30.155   1.486  28.755
 1139    H    VAL  72           HN       VAL  72 -29.614  -3.732  31.107
 1140    HA   VAL  72           HA       VAL  72 -30.662  -2.970  33.679
 1141    HB   VAL  72           HB       VAL  72 -32.697  -3.803  32.577
 1142   HG11  VAL  72          HG11      VAL  72 -31.710  -5.308  30.953
 1143   HG12  VAL  72          HG12      VAL  72 -31.179  -6.385  32.243
 1144   HG13  VAL  72          HG13      VAL  72 -32.901  -6.162  31.935
 1145   HG21  VAL  72          HG21      VAL  72 -33.347  -5.458  34.251
 1146   HG22  VAL  72          HG22      VAL  72 -31.653  -5.686  34.686
 1147   HG23  VAL  72          HG23      VAL  72 -32.435  -4.133  34.975
 1148    H    ALA  73           HN       ALA  73 -29.680  -4.071  35.328
 1149    HA   ALA  73           HA       ALA  73 -27.898  -6.291  34.572
 1150    HB1  ALA  73           HB1      ALA  73 -27.169  -4.015  36.415
 1151    HB2  ALA  73           HB2      ALA  73 -26.158  -5.408  36.032
 1152    HB3  ALA  73           HB3      ALA  73 -26.566  -4.243  34.774
 1153    H    ARG  74           HN       ARG  74 -29.118  -7.889  35.444
 1154    HA   ARG  74           HA       ARG  74 -30.317  -7.643  38.043
 1155    HE   ARG  74           HE       ARG  74 -32.788 -11.836  39.363
 1156    HB2  ARG  74           HB2      ARG  74 -31.367  -9.026  36.305
 1157    HB3  ARG  74           HB3      ARG  74 -29.959 -10.082  36.288
 1158    HG2  ARG  74           HG2      ARG  74 -30.399 -10.675  38.631
 1159    HG3  ARG  74           HG3      ARG  74 -31.839  -9.659  38.602
 1160    HD2  ARG  74           HD2      ARG  74 -32.816 -11.051  36.871
 1161    HD3  ARG  74           HD3      ARG  74 -31.358 -12.043  36.821
 1162   HH11  ARG  74          HH12      ARG  74 -32.005 -13.717  36.504
 1163   HH12  ARG  74          HH11      ARG  74 -32.461 -15.228  37.228
 1164   HH21  ARG  74          HH22      ARG  74 -33.389 -13.844  40.311
 1165   HH22  ARG  74          HH21      ARG  74 -33.236 -15.308  39.380
 1166    H    ASN  75           HN       ASN  75 -29.201  -7.744  39.853
 1167    HA   ASN  75           HA       ASN  75 -26.979  -9.670  40.028
 1168    HB2  ASN  75           HB2      ASN  75 -27.017  -6.817  41.012
 1169    HB3  ASN  75           HB3      ASN  75 -25.862  -8.009  41.596
 1170   HD21  ASN  75          HD21      ASN  75 -26.810  -5.995  38.943
 1171   HD22  ASN  75          HD22      ASN  75 -25.402  -6.265  37.970
 1172    H    GLY  76           HN       GLY  76 -28.126 -11.195  41.128
 1173    HA2  GLY  76           HA1      GLY  76 -28.716 -12.264  43.079
 1174    HA3  GLY  76           HA2      GLY  76 -28.250 -10.813  43.952
 1175    H    ARG  77           HN       ARG  77 -30.025 -10.945  45.339
 1176    HA   ARG  77           HA       ARG  77 -32.672 -10.633  44.096
 1177    HE   ARG  77           HE       ARG  77 -32.736 -12.150  48.480
 1178    HB2  ARG  77           HB2      ARG  77 -32.054 -11.075  47.021
 1179    HB3  ARG  77           HB3      ARG  77 -33.619 -11.203  46.232
 1180    HG2  ARG  77           HG2      ARG  77 -32.808 -13.150  44.973
 1181    HG3  ARG  77           HG3      ARG  77 -31.263 -13.033  45.818
 1182    HD2  ARG  77           HD2      ARG  77 -33.970 -13.691  46.952
 1183    HD3  ARG  77           HD3      ARG  77 -32.507 -14.678  46.972
 1184   HH11  ARG  77          HH12      ARG  77 -31.927 -15.563  48.337
 1185   HH12  ARG  77          HH11      ARG  77 -31.241 -15.584  49.936
 1186   HH21  ARG  77          HH22      ARG  77 -31.886 -12.191  50.566
 1187   HH22  ARG  77          HH21      ARG  77 -31.217 -13.662  51.213
 1188    H    LEU  78           HN       LEU  78 -30.387  -9.138  46.298
 1189    HA   LEU  78           HA       LEU  78 -32.132  -6.785  46.522
 1190    HG   LEU  78           HG       LEU  78 -31.668  -8.994  48.668
 1191    HB2  LEU  78           HB2      LEU  78 -29.701  -7.567  48.142
 1192    HB3  LEU  78           HB3      LEU  78 -30.691  -6.147  48.416
 1193   HD11  LEU  78          HD11      LEU  78 -30.926  -6.997  50.802
 1194   HD12  LEU  78          HD12      LEU  78 -31.646  -8.583  51.076
 1195   HD13  LEU  78          HD13      LEU  78 -30.025  -8.456  50.392
 1196   HD21  LEU  78          HD21      LEU  78 -33.426  -7.404  48.064
 1197   HD22  LEU  78          HD22      LEU  78 -33.625  -7.981  49.719
 1198   HD23  LEU  78          HD23      LEU  78 -32.963  -6.373  49.417
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  22.041   6.256  19.411
    2    H2   GLY   1           H2       GLY   1  21.712   5.040  18.273
    3    H3   GLY   1           H3       GLY   1  23.266   5.714  18.373
    4    HA2  GLY   1           HA2      GLY   1  23.598   4.786  20.549
    5    HA3  GLY   1           HA1      GLY   1  21.961   4.141  20.519
    6    HA   PRO   2           HA       PRO   2  25.094   1.089  18.756
    7    HB2  PRO   2           HB2      PRO   2  24.774  -0.877  20.601
    8    HB3  PRO   2           HB3      PRO   2  25.948   0.431  20.780
    9    HG2  PRO   2           HG2      PRO   2  23.230   0.144  21.992
   10    HG3  PRO   2           HG3      PRO   2  24.737   0.708  22.740
   11    HD2  PRO   2           HD2      PRO   2  22.800   2.403  21.884
   12    HD3  PRO   2           HD3      PRO   2  24.523   2.827  21.866
   13    H    LEU   3           HN       LEU   3  21.785   1.085  19.656
   14    HA   LEU   3           HA       LEU   3  21.256  -0.945  17.630
   15    HG   LEU   3           HG       LEU   3  20.794  -0.322  21.250
   16    HB2  LEU   3           HB2      LEU   3  19.497  -1.964  19.085
   17    HB3  LEU   3           HB3      LEU   3  21.144  -2.258  19.597
   18   HD11  LEU   3          HD11      LEU   3  18.755   0.585  20.284
   19   HD12  LEU   3          HD12      LEU   3  17.914  -0.930  20.612
   20   HD13  LEU   3          HD13      LEU   3  18.496   0.065  21.949
   21   HD21  LEU   3          HD21      LEU   3  19.265  -2.898  21.556
   22   HD22  LEU   3          HD22      LEU   3  20.971  -2.640  21.923
   23   HD23  LEU   3          HD23      LEU   3  19.731  -1.820  22.873
   24    H    GLY   4           HN       GLY   4  18.895  -1.017  17.075
   25    HA2  GLY   4           HA1      GLY   4  17.169   1.120  17.819
   26    HA3  GLY   4           HA2      GLY   4  17.899   1.433  16.246
   27    H    SER   5           HN       SER   5  17.738  -0.345  14.660
   28    HA   SER   5           HA       SER   5  15.811  -2.425  15.135
   29    HG   SER   5           HG       SER   5  14.682   0.177  12.219
   30    HB2  SER   5           HB2      SER   5  14.478  -1.796  13.073
   31    HB3  SER   5           HB3      SER   5  14.242  -0.736  14.463
   32    H    SER   6           HN       SER   6  15.928  -4.071  13.495
   33    HA   SER   6           HA       SER   6  18.505  -4.182  12.223
   34    HG   SER   6           HG       SER   6  18.085  -7.596  11.754
   35    HB2  SER   6           HB2      SER   6  17.353  -6.163  13.286
   36    HB3  SER   6           HB3      SER   6  16.215  -6.144  11.940
   37    H    ALA   7           HN       ALA   7  18.205  -2.314  10.874
   38    HA   ALA   7           HA       ALA   7  16.122  -2.116   8.970
   39    HB1  ALA   7           HB1      ALA   7  17.334  -0.169   9.820
   40    HB2  ALA   7           HB2      ALA   7  18.796  -0.726   9.005
   41    HB3  ALA   7           HB3      ALA   7  17.389  -0.248   8.058
   42    H    GLY   8           HN       GLY   8  19.507  -3.170   8.717
   43    HA2  GLY   8           HA1      GLY   8  19.612  -3.470   5.942
   44    HA3  GLY   8           HA2      GLY   8  20.613  -4.345   7.091
   45    H    ALA   9           HN       ALA   9  18.762  -5.847   8.435
   46    HA   ALA   9           HA       ALA   9  18.336  -7.976   6.605
   47    HB1  ALA   9           HB1      ALA   9  17.376  -9.159   8.491
   48    HB2  ALA   9           HB2      ALA   9  18.840  -8.314   8.992
   49    HB3  ALA   9           HB3      ALA   9  17.259  -7.653   9.404
   50    H    LEU  10           HN       LEU  10  16.185  -5.634   8.163
   51    HA   LEU  10           HA       LEU  10  13.753  -6.671   7.203
   52    HG   LEU  10           HG       LEU  10  12.673  -3.683   6.523
   53    HB2  LEU  10           HB2      LEU  10  13.680  -5.123   8.972
   54    HB3  LEU  10           HB3      LEU  10  14.622  -3.935   8.092
   55   HD11  LEU  10          HD11      LEU  10  11.276  -5.317   8.633
   56   HD12  LEU  10          HD12      LEU  10  10.487  -4.452   7.313
   57   HD13  LEU  10          HD13      LEU  10  11.571  -5.800   6.963
   58   HD21  LEU  10          HD21      LEU  10  13.207  -2.184   8.479
   59   HD22  LEU  10          HD22      LEU  10  11.530  -2.168   7.933
   60   HD23  LEU  10          HD23      LEU  10  11.977  -3.067   9.380
   61    H    LEU  11           HN       LEU  11  15.881  -4.148   5.930
   62    HA   LEU  11           HA       LEU  11  14.379  -3.563   3.624
   63    HG   LEU  11           HG       LEU  11  17.108  -1.220   2.672
   64    HB2  LEU  11           HB2      LEU  11  16.143  -2.125   4.568
   65    HB3  LEU  11           HB3      LEU  11  17.350  -3.313   4.138
   66   HD11  LEU  11          HD11      LEU  11  17.699  -2.454   0.668
   67   HD12  LEU  11          HD12      LEU  11  18.474  -3.152   2.093
   68   HD13  LEU  11          HD13      LEU  11  17.065  -3.938   1.381
   69   HD21  LEU  11          HD21      LEU  11  14.773  -2.814   1.622
   70   HD22  LEU  11          HD22      LEU  11  14.682  -1.261   2.450
   71   HD23  LEU  11          HD23      LEU  11  15.465  -1.376   0.872
   72    H    ALA  12           HN       ALA  12  17.020  -5.834   4.237
   73    HA   ALA  12           HA       ALA  12  17.359  -6.710   1.595
   74    HB1  ALA  12           HB1      ALA  12  18.562  -8.594   2.549
   75    HB2  ALA  12           HB2      ALA  12  19.014  -7.083   3.338
   76    HB3  ALA  12           HB3      ALA  12  17.919  -8.205   4.146
   77    H    HIS  13           HN       HIS  13  15.369  -8.125   4.233
   78    HA   HIS  13           HA       HIS  13  14.560 -10.291   2.561
   79    HD1  HIS  13           HD1      HIS  13  10.950 -10.149   4.471
   80    HD2  HIS  13           HD2      HIS  13  13.783  -8.212   6.796
   81    HE1  HIS  13           HE1      HIS  13   9.644  -8.734   6.084
   82    HE2  HIS  13           HE2      HIS  13  11.383  -7.862   7.688
   83    HB2  HIS  13           HB2      HIS  13  13.360 -11.137   4.354
   84    HB3  HIS  13           HB3      HIS  13  14.633 -10.230   5.148
   85    H    ALA  14           HN       ALA  14  13.301  -7.099   3.158
   86    HA   ALA  14           HA       ALA  14  10.775  -7.549   1.905
   87    HB1  ALA  14           HB1      ALA  14  12.315  -4.974   2.257
   88    HB2  ALA  14           HB2      ALA  14  10.614  -5.114   1.814
   89    HB3  ALA  14           HB3      ALA  14  11.157  -5.647   3.406
   90    H    ALA  15           HN       ALA  15  13.929  -6.354   0.825
   91    HA   ALA  15           HA       ALA  15  13.201  -5.874  -1.870
   92    HB1  ALA  15           HB1      ALA  15  15.611  -5.802  -2.289
   93    HB2  ALA  15           HB2      ALA  15  15.186  -4.882  -0.847
   94    HB3  ALA  15           HB3      ALA  15  15.916  -6.482  -0.691
   95    H    SER  16           HN       SER  16  14.378  -8.695  -0.137
   96    HA   SER  16           HA       SER  16  14.906 -10.329  -2.374
   97    HG   SER  16           HG       SER  16  14.330 -12.956  -1.170
   98    HB2  SER  16           HB2      SER  16  15.606 -10.727   0.050
   99    HB3  SER  16           HB3      SER  16  13.968 -11.320   0.324
  100    H    LEU  17           HN       LEU  17  11.977  -9.743  -0.473
  101    HA   LEU  17           HA       LEU  17  10.386 -11.653  -1.896
  102    HG   LEU  17           HG       LEU  17  10.742 -10.895   1.151
  103    HB2  LEU  17           HB2      LEU  17   9.557  -9.259  -0.244
  104    HB3  LEU  17           HB3      LEU  17   8.477 -10.519  -0.810
  105   HD11  LEU  17          HD11      LEU  17   7.752 -10.868   1.531
  106   HD12  LEU  17          HD12      LEU  17   8.938 -11.288   2.768
  107   HD13  LEU  17          HD13      LEU  17   8.893  -9.653   2.108
  108   HD21  LEU  17          HD21      LEU  17   8.663 -12.841   0.154
  109   HD22  LEU  17          HD22      LEU  17  10.388 -12.883  -0.216
  110   HD23  LEU  17          HD23      LEU  17   9.833 -13.148   1.437
  111    H    GLY  18           HN       GLY  18  11.379  -8.393  -2.390
  112    HA2  GLY  18           HA1      GLY  18  11.307  -7.235  -4.408
  113    HA3  GLY  18           HA2      GLY  18  10.154  -8.406  -5.019
  114    H    VAL  19           HN       VAL  19   9.731  -6.774  -1.954
  115    HA   VAL  19           HA       VAL  19   7.229  -5.655  -2.765
  116    HB   VAL  19           HB       VAL  19   8.884  -4.927  -0.329
  117   HG11  VAL  19          HG11      VAL  19   5.939  -4.589  -0.860
  118   HG12  VAL  19          HG12      VAL  19   6.789  -4.144   0.618
  119   HG13  VAL  19          HG13      VAL  19   7.139  -3.299  -0.891
  120   HG21  VAL  19          HG21      VAL  19   6.731  -7.010  -0.646
  121   HG22  VAL  19          HG22      VAL  19   8.435  -7.301  -0.300
  122   HG23  VAL  19          HG23      VAL  19   7.418  -6.489   0.895
  123    H    ARG  20           HN       ARG  20   6.816  -3.670  -3.603
  124    HA   ARG  20           HA       ARG  20   9.055  -1.733  -3.765
  125    HE   ARG  20           HE       ARG  20   9.470  -5.359  -7.721
  126    HB2  ARG  20           HB2      ARG  20   7.040  -2.213  -5.968
  127    HB3  ARG  20           HB3      ARG  20   8.498  -1.230  -6.036
  128    HG2  ARG  20           HG2      ARG  20   9.884  -3.186  -5.958
  129    HG3  ARG  20           HG3      ARG  20   8.473  -4.224  -5.723
  130    HD2  ARG  20           HD2      ARG  20   7.614  -3.559  -7.906
  131    HD3  ARG  20           HD3      ARG  20   9.002  -2.499  -8.141
  132   HH11  ARG  20          HH12      ARG  20   9.356  -2.633  -9.909
  133   HH12  ARG  20          HH11      ARG  20  10.389  -3.378 -11.094
  134   HH21  ARG  20          HH22      ARG  20  10.770  -6.366  -9.294
  135   HH22  ARG  20          HH21      ARG  20  11.177  -5.506 -10.751
  136    H    LEU  21           HN       LEU  21   8.475   0.305  -3.191
  137    HA   LEU  21           HA       LEU  21   5.666   1.108  -3.420
  138    HG   LEU  21           HG       LEU  21   4.868   0.018  -1.413
  139    HB2  LEU  21           HB2      LEU  21   7.409   1.520  -0.989
  140    HB3  LEU  21           HB3      LEU  21   5.939   2.423  -1.281
  141   HD11  LEU  21          HD11      LEU  21   6.964  -1.201  -1.221
  142   HD12  LEU  21          HD12      LEU  21   7.281  -0.431   0.333
  143   HD13  LEU  21          HD13      LEU  21   5.912  -1.531   0.156
  144   HD21  LEU  21          HD21      LEU  21   4.336   0.201   0.958
  145   HD22  LEU  21          HD22      LEU  21   5.657   1.351   1.169
  146   HD23  LEU  21          HD23      LEU  21   4.271   1.775   0.163
  147    H    TRP  22           HN       TRP  22   5.484   2.992  -4.482
  148    HA   TRP  22           HA       TRP  22   7.592   4.974  -4.209
  149    HD1  TRP  22           HD1      TRP  22   6.148   5.636  -8.458
  150    HE1  TRP  22           HE1      TRP  22   4.683   4.074  -9.885
  151    HE3  TRP  22           HE3      TRP  22   6.954   1.261  -5.941
  152    HZ2  TRP  22           HZ2      TRP  22   3.961   1.335  -9.927
  153    HZ3  TRP  22           HZ3      TRP  22   5.835  -0.778  -6.730
  154    HH2  TRP  22           HH2      TRP  22   4.363  -0.744  -8.676
  155    HB2  TRP  22           HB2      TRP  22   7.910   5.282  -6.601
  156    HB3  TRP  22           HB3      TRP  22   8.300   3.626  -6.157
  157    H    VAL  23           HN       VAL  23   6.851   7.032  -4.315
  158    HA   VAL  23           HA       VAL  23   3.994   7.365  -4.347
  159    HB   VAL  23           HB       VAL  23   5.254   8.607  -2.698
  160   HG11  VAL  23          HG11      VAL  23   7.364   8.855  -3.854
  161   HG12  VAL  23          HG12      VAL  23   6.625   9.950  -5.024
  162   HG13  VAL  23          HG13      VAL  23   6.772  10.433  -3.335
  163   HG21  VAL  23          HG21      VAL  23   3.197   9.624  -3.493
  164   HG22  VAL  23          HG22      VAL  23   4.388  10.870  -3.113
  165   HG23  VAL  23          HG23      VAL  23   4.074  10.431  -4.793
  166    H    GLU  24           HN       GLU  24   2.800   7.871  -6.018
  167    HA   GLU  24           HA       GLU  24   4.065   9.157  -8.344
  168    HB2  GLU  24           HB2      GLU  24   3.646   6.755  -8.760
  169    HB3  GLU  24           HB3      GLU  24   1.950   6.996  -8.371
  170    HG2  GLU  24           HG2      GLU  24   1.801   8.571 -10.285
  171    HG3  GLU  24           HG3      GLU  24   3.458   8.136 -10.710
  172    H    GLY  25           HN       GLY  25   3.285  11.161  -8.300
  173    HA2  GLY  25           HA1      GLY  25   1.767  12.889  -8.327
  174    HA3  GLY  25           HA2      GLY  25   0.502  11.688  -8.559
  175    H    GLU  26           HN       GLU  26  -0.898  11.423  -6.954
  176    HA   GLU  26           HA       GLU  26  -0.198  12.539  -4.323
  177    HB2  GLU  26           HB2      GLU  26  -2.884  11.960  -5.584
  178    HB3  GLU  26           HB3      GLU  26  -2.670  12.520  -3.933
  179    HG2  GLU  26           HG2      GLU  26  -1.713  14.034  -6.345
  180    HG3  GLU  26           HG3      GLU  26  -3.282  14.282  -5.584
  181    H    ARG  27           HN       ARG  27  -0.729   9.607  -5.979
  182    HA   ARG  27           HA       ARG  27  -1.437   8.216  -3.482
  183    HE   ARG  27           HE       ARG  27  -2.480   3.780  -3.469
  184    HB2  ARG  27           HB2      ARG  27  -2.996   8.020  -5.449
  185    HB3  ARG  27           HB3      ARG  27  -1.723   7.160  -6.298
  186    HG2  ARG  27           HG2      ARG  27  -2.593   6.159  -3.628
  187    HG3  ARG  27           HG3      ARG  27  -3.624   5.874  -5.029
  188    HD2  ARG  27           HD2      ARG  27  -1.838   4.713  -6.158
  189    HD3  ARG  27           HD3      ARG  27  -0.712   5.121  -4.859
  190   HH11  ARG  27          HH12      ARG  27  -1.304   3.020  -6.679
  191   HH12  ARG  27          HH11      ARG  27  -1.417   1.305  -6.455
  192   HH21  ARG  27          HH22      ARG  27  -2.631   1.522  -3.167
  193   HH22  ARG  27          HH21      ARG  27  -2.186   0.445  -4.457
  194    H    LEU  28           HN       LEU  28   0.000   6.991  -2.536
  195    HA   LEU  28           HA       LEU  28   2.545   6.405  -3.689
  196    HG   LEU  28           HG       LEU  28   4.117   5.301  -2.101
  197    HB2  LEU  28           HB2      LEU  28   2.139   6.804  -1.262
  198    HB3  LEU  28           HB3      LEU  28   1.255   5.294  -1.200
  199   HD11  LEU  28          HD11      LEU  28   4.796   4.939   0.233
  200   HD12  LEU  28          HD12      LEU  28   4.125   6.551  -0.020
  201   HD13  LEU  28          HD13      LEU  28   3.149   5.302   0.755
  202   HD21  LEU  28          HD21      LEU  28   4.088   3.056  -1.164
  203   HD22  LEU  28          HD22      LEU  28   2.428   3.294  -0.614
  204   HD23  LEU  28          HD23      LEU  28   2.788   3.259  -2.339
  205    H    ARG  29           HN       ARG  29   2.855   4.854  -5.153
  206    HA   ARG  29           HA       ARG  29   0.834   2.835  -5.580
  207    HE   ARG  29           HE       ARG  29   0.281   2.513  -8.494
  208    HB2  ARG  29           HB2      ARG  29   3.498   3.050  -6.977
  209    HB3  ARG  29           HB3      ARG  29   2.042   2.251  -7.552
  210    HG2  ARG  29           HG2      ARG  29   2.407   5.220  -7.199
  211    HG3  ARG  29           HG3      ARG  29   2.453   4.342  -8.727
  212    HD2  ARG  29           HD2      ARG  29   0.088   4.529  -6.875
  213    HD3  ARG  29           HD3      ARG  29   0.298   5.450  -8.361
  214   HH11  ARG  29          HH12      ARG  29  -1.230   5.593  -9.266
  215   HH12  ARG  29          HH11      ARG  29  -2.342   4.897 -10.410
  216   HH21  ARG  29          HH22      ARG  29  -1.210   1.612  -9.989
  217   HH22  ARG  29          HH21      ARG  29  -2.350   2.647 -10.793
  218    H    PHE  30           HN       PHE  30   1.055   0.659  -5.248
  219    HA   PHE  30           HA       PHE  30   3.359  -0.167  -3.611
  220    HD1  PHE  30           HD2      PHE  30   3.185  -2.749  -2.605
  221    HD2  PHE  30           HD1      PHE  30   1.059   0.128  -0.294
  222    HE1  PHE  30           HE2      PHE  30   4.177  -3.666  -0.562
  223    HE2  PHE  30           HE1      PHE  30   2.049  -0.789   1.758
  224    HZ   PHE  30           HZ       PHE  30   3.618  -2.692   1.626
  225    HB2  PHE  30           HB2      PHE  30   0.929   0.250  -2.569
  226    HB3  PHE  30           HB3      PHE  30   0.665  -1.373  -3.183
  227    H    GLN  31           HN       GLN  31   4.317  -2.005  -4.265
  228    HA   GLN  31           HA       GLN  31   2.814  -3.823  -6.033
  229    HB2  GLN  31           HB2      GLN  31   4.460  -2.543  -7.342
  230    HB3  GLN  31           HB3      GLN  31   5.738  -3.071  -6.259
  231    HG2  GLN  31           HG2      GLN  31   5.785  -4.338  -8.308
  232    HG3  GLN  31           HG3      GLN  31   5.368  -5.384  -6.953
  233   HE21  GLN  31          HE21      GLN  31   4.419  -6.901  -8.302
  234   HE22  GLN  31          HE22      GLN  31   2.894  -6.632  -9.069
  235    H    ALA  32           HN       ALA  32   2.519  -5.679  -5.008
  236    HA   ALA  32           HA       ALA  32   4.702  -6.836  -3.432
  237    HB1  ALA  32           HB1      ALA  32   3.245  -7.307  -1.556
  238    HB2  ALA  32           HB2      ALA  32   3.297  -5.570  -1.860
  239    HB3  ALA  32           HB3      ALA  32   1.898  -6.515  -2.372
  240    HA   PRO  33           HA       PRO  33   3.340 -10.471  -5.672
  241    HB2  PRO  33           HB2      PRO  33   5.007 -11.784  -3.591
  242    HB3  PRO  33           HB3      PRO  33   5.093 -11.917  -5.352
  243    HG2  PRO  33           HG2      PRO  33   6.926 -10.533  -4.002
  244    HG3  PRO  33           HG3      PRO  33   6.323  -9.959  -5.572
  245    HD2  PRO  33           HD2      PRO  33   5.605  -9.041  -2.813
  246    HD3  PRO  33           HD3      PRO  33   5.880  -8.081  -4.280
  247    HA   PRO  34           HA       PRO  34   0.042 -11.947  -3.191
  248    HB2  PRO  34           HB2      PRO  34  -0.159 -14.544  -4.046
  249    HB3  PRO  34           HB3      PRO  34  -0.757 -13.151  -4.954
  250    HG2  PRO  34           HG2      PRO  34   1.762 -14.710  -5.309
  251    HG3  PRO  34           HG3      PRO  34   0.689 -14.012  -6.535
  252    HD2  PRO  34           HD2      PRO  34   3.040 -12.866  -5.807
  253    HD3  PRO  34           HD3      PRO  34   1.644 -11.926  -6.359
  254    H    GLY  35           HN       GLY  35   0.164 -12.336  -1.081
  255    HA2  GLY  35           HA1      GLY  35   0.181 -14.062   0.614
  256    HA3  GLY  35           HA2      GLY  35   1.554 -14.781  -0.210
  257    H    VAL  36           HN       VAL  36   2.993 -12.268  -0.543
  258    HA   VAL  36           HA       VAL  36   4.379 -12.440   1.962
  259    HB   VAL  36           HB       VAL  36   5.976 -10.849   0.982
  260   HG11  VAL  36          HG11      VAL  36   5.182 -13.036  -0.938
  261   HG12  VAL  36          HG12      VAL  36   6.779 -12.305  -0.780
  262   HG13  VAL  36          HG13      VAL  36   6.118 -13.276   0.539
  263   HG21  VAL  36          HG21      VAL  36   4.084 -10.808  -1.357
  264   HG22  VAL  36          HG22      VAL  36   4.438  -9.462  -0.274
  265   HG23  VAL  36          HG23      VAL  36   5.701 -10.102  -1.328
  266    H    MET  37           HN       MET  37   1.889 -10.456   0.857
  267    HA   MET  37           HA       MET  37   2.694  -8.090   2.315
  268    HB2  MET  37           HB2      MET  37   1.550  -7.978   0.094
  269    HB3  MET  37           HB3      MET  37   0.094  -8.605   0.856
  270    HG2  MET  37           HG2      MET  37   0.355  -6.057   0.487
  271    HG3  MET  37           HG3      MET  37  -0.318  -6.657   1.998
  272    HE1  MET  37           HE1      MET  37   3.451  -6.913   1.042
  273    HE2  MET  37           HE2      MET  37   3.133  -5.320   0.352
  274    HE3  MET  37           HE3      MET  37   4.149  -5.474   1.785
  275    H    THR  38           HN       THR  38   2.071 -10.671   3.691
  276    HA   THR  38           HA       THR  38  -0.265 -10.611   5.168
  277    HB   THR  38           HB       THR  38   1.160 -11.650   7.014
  278    HG1  THR  38           HG1      THR  38   3.296 -12.323   5.979
  279   HG21  THR  38          HG21      THR  38   1.496 -13.724   5.788
  280   HG22  THR  38          HG22      THR  38   1.355 -12.860   4.259
  281   HG23  THR  38          HG23      THR  38  -0.038 -12.982   5.335
  282    HA   PRO  39           HA       PRO  39  -0.280  -6.873   7.506
  283    HB2  PRO  39           HB2      PRO  39  -1.112  -8.588   9.796
  284    HB3  PRO  39           HB3      PRO  39  -1.879  -7.137   9.139
  285    HG2  PRO  39           HG2      PRO  39  -2.903  -9.545   8.659
  286    HG3  PRO  39           HG3      PRO  39  -2.888  -8.294   7.401
  287    HD2  PRO  39           HD2      PRO  39  -1.146 -10.701   7.708
  288    HD3  PRO  39           HD3      PRO  39  -1.780  -9.947   6.232
  289    H    GLU  40           HN       GLU  40   1.249  -9.730   8.907
  290    HA   GLU  40           HA       GLU  40   2.774  -8.471  10.887
  291    HB2  GLU  40           HB2      GLU  40   2.547 -10.910  10.723
  292    HB3  GLU  40           HB3      GLU  40   3.457 -10.903   9.218
  293    HG2  GLU  40           HG2      GLU  40   4.874 -11.625  11.014
  294    HG3  GLU  40           HG3      GLU  40   5.419 -10.053  10.435
  295    H    LEU  41           HN       LEU  41   3.509  -9.127   7.457
  296    HA   LEU  41           HA       LEU  41   6.128  -8.140   7.419
  297    HG   LEU  41           HG       LEU  41   6.635  -6.903   5.215
  298    HB2  LEU  41           HB2      LEU  41   5.038  -9.368   5.533
  299    HB3  LEU  41           HB3      LEU  41   4.135  -7.897   5.182
  300   HD11  LEU  41          HD11      LEU  41   8.128  -8.409   4.006
  301   HD12  LEU  41          HD12      LEU  41   7.693  -9.048   5.591
  302   HD13  LEU  41          HD13      LEU  41   6.933  -9.700   4.141
  303   HD21  LEU  41          HD21      LEU  41   6.543  -7.012   2.754
  304   HD22  LEU  41          HD22      LEU  41   5.202  -8.152   2.883
  305   HD23  LEU  41          HD23      LEU  41   5.019  -6.504   3.491
  306    H    GLN  42           HN       GLN  42   3.064  -6.512   6.682
  307    HA   GLN  42           HA       GLN  42   4.172  -4.025   6.077
  308    HB2  GLN  42           HB2      GLN  42   1.905  -4.521   5.459
  309    HB3  GLN  42           HB3      GLN  42   1.456  -4.772   7.141
  310    HG2  GLN  42           HG2      GLN  42   0.614  -2.654   6.352
  311    HG3  GLN  42           HG3      GLN  42   1.834  -2.414   7.597
  312   HE21  GLN  42          HE21      GLN  42   3.832  -1.544   7.032
  313   HE22  GLN  42          HE22      GLN  42   4.074  -0.701   5.539
  314    H    SER  43           HN       SER  43   3.199  -5.428   9.153
  315    HA   SER  43           HA       SER  43   3.556  -3.120  10.734
  316    HG   SER  43           HG       SER  43   4.553  -4.033  12.924
  317    HB2  SER  43           HB2      SER  43   2.394  -5.132  11.557
  318    HB3  SER  43           HB3      SER  43   3.906  -6.033  11.497
  319    H    ARG  44           HN       ARG  44   5.754  -5.522   9.466
  320    HA   ARG  44           HA       ARG  44   8.018  -4.587  10.977
  321    HE   ARG  44           HE       ARG  44   6.399  -8.386  12.400
  322    HB2  ARG  44           HB2      ARG  44   7.963  -6.382   8.550
  323    HB3  ARG  44           HB3      ARG  44   9.298  -6.186   9.679
  324    HG2  ARG  44           HG2      ARG  44   6.586  -7.321  10.330
  325    HG3  ARG  44           HG3      ARG  44   8.070  -8.249  10.101
  326    HD2  ARG  44           HD2      ARG  44   9.057  -7.331  12.053
  327    HD3  ARG  44           HD3      ARG  44   7.814  -6.088  12.184
  328   HH11  ARG  44          HH12      ARG  44   9.209  -7.099  14.085
  329   HH12  ARG  44          HH11      ARG  44   8.835  -7.929  15.568
  330   HH21  ARG  44          HH22      ARG  44   5.914  -9.443  14.339
  331   HH22  ARG  44          HH21      ARG  44   6.968  -9.266  15.715
  332    H    LEU  45           HN       LEU  45   6.858  -4.232   7.619
  333    HA   LEU  45           HA       LEU  45   8.827  -2.560   6.595
  334    HG   LEU  45           HG       LEU  45   6.902  -4.532   5.337
  335    HB2  LEU  45           HB2      LEU  45   5.824  -2.398   6.194
  336    HB3  LEU  45           HB3      LEU  45   6.986  -1.508   5.235
  337   HD11  LEU  45          HD11      LEU  45   5.802  -4.391   3.138
  338   HD12  LEU  45          HD12      LEU  45   4.797  -3.724   4.425
  339   HD13  LEU  45          HD13      LEU  45   5.661  -2.642   3.337
  340   HD21  LEU  45          HD21      LEU  45   8.174  -4.368   3.267
  341   HD22  LEU  45          HD22      LEU  45   8.168  -2.608   3.390
  342   HD23  LEU  45          HD23      LEU  45   9.029  -3.574   4.595
  343    H    GLY  46           HN       GLY  46   6.150  -1.865   8.753
  344    HA2  GLY  46           HA1      GLY  46   6.121  -0.307  10.473
  345    HA3  GLY  46           HA2      GLY  46   7.590   0.410   9.824
  346    H    GLY  47           HN       GLY  47   6.260   0.457   7.128
  347    HA2  GLY  47           HA1      GLY  47   4.955   1.869   5.868
  348    HA3  GLY  47           HA2      GLY  47   4.027   2.216   7.318
  349    H    ALA  48           HN       ALA  48   7.373   2.695   7.667
  350    HA   ALA  48           HA       ALA  48   6.986   5.520   7.998
  351    HB1  ALA  48           HB1      ALA  48   9.486   3.839   8.188
  352    HB2  ALA  48           HB2      ALA  48   9.327   5.516   8.712
  353    HB3  ALA  48           HB3      ALA  48   8.410   4.245   9.524
  354    H    ARG  49           HN       ARG  49   8.059   7.153   6.820
  355    HA   ARG  49           HA       ARG  49   8.057   6.618   4.032
  356    HE   ARG  49           HE       ARG  49   8.771  11.079   3.672
  357    HB2  ARG  49           HB2      ARG  49   8.715   8.993   3.799
  358    HB3  ARG  49           HB3      ARG  49   7.298   8.748   4.806
  359    HG2  ARG  49           HG2      ARG  49   8.706   8.988   6.814
  360    HG3  ARG  49           HG3      ARG  49  10.092   9.297   5.763
  361    HD2  ARG  49           HD2      ARG  49   7.567  10.941   5.796
  362    HD3  ARG  49           HD3      ARG  49   9.077  11.386   6.598
  363   HH11  ARG  49          HH12      ARG  49  10.162  12.674   6.460
  364   HH12  ARG  49          HH11      ARG  49  11.158  13.741   5.520
  365   HH21  ARG  49          HH22      ARG  49  10.088  12.469   2.416
  366   HH22  ARG  49          HH21      ARG  49  11.136  13.607   3.211
  367    H    HIS  50           HN       HIS  50  10.704   7.538   6.255
  368    HA   HIS  50           HA       HIS  50  12.761   7.527   4.359
  369    HD1  HIS  50           HD1      HIS  50  13.146   4.874   7.739
  370    HD2  HIS  50           HD2      HIS  50  11.806   8.706   8.685
  371    HE1  HIS  50           HE1      HIS  50  11.839   4.648   9.861
  372    HE2  HIS  50           HE2      HIS  50  11.012   6.947  10.413
  373    HB2  HIS  50           HB2      HIS  50  14.264   6.980   6.374
  374    HB3  HIS  50           HB3      HIS  50  13.321   8.466   6.447
  375    H    GLU  51           HN       GLU  51  11.271   4.916   6.126
  376    HA   GLU  51           HA       GLU  51  13.135   2.899   5.492
  377    HB2  GLU  51           HB2      GLU  51  10.620   3.092   6.835
  378    HB3  GLU  51           HB3      GLU  51  10.534   1.775   5.670
  379    HG2  GLU  51           HG2      GLU  51  11.287   0.861   7.710
  380    HG3  GLU  51           HG3      GLU  51  12.654   0.919   6.591
  381    H    LEU  52           HN       LEU  52  10.095   3.909   4.051
  382    HA   LEU  52           HA       LEU  52  10.238   1.882   2.065
  383    HG   LEU  52           HG       LEU  52   8.089   2.716   4.123
  384    HB2  LEU  52           HB2      LEU  52   8.433   4.298   2.248
  385    HB3  LEU  52           HB3      LEU  52   8.230   2.973   1.116
  386   HD11  LEU  52          HD11      LEU  52   5.902   2.737   2.049
  387   HD12  LEU  52          HD12      LEU  52   5.693   2.396   3.768
  388   HD13  LEU  52          HD13      LEU  52   6.221   3.995   3.244
  389   HD21  LEU  52          HD21      LEU  52   7.217   0.479   3.650
  390   HD22  LEU  52          HD22      LEU  52   7.496   0.734   1.927
  391   HD23  LEU  52          HD23      LEU  52   8.861   0.677   3.042
  392    H    ILE  53           HN       ILE  53  11.292   5.189   2.281
  393    HA   ILE  53           HA       ILE  53  11.657   5.707  -0.467
  394    HB   ILE  53           HB       ILE  53  13.156   6.763   1.937
  395   HG12  ILE  53          HG12      ILE  53  11.108   8.059   0.122
  396   HG13  ILE  53          HG13      ILE  53  10.759   7.387   1.711
  397   HG21  ILE  53          HG21      ILE  53  14.053   8.495   0.424
  398   HG22  ILE  53          HG22      ILE  53  14.633   6.877   0.020
  399   HG23  ILE  53          HG23      ILE  53  13.361   7.625  -0.945
  400   HD11  ILE  53          HD11      ILE  53  12.594   9.698   1.124
  401   HD12  ILE  53          HD12      ILE  53  10.975   9.793   1.820
  402   HD13  ILE  53          HD13      ILE  53  12.278   9.016   2.719
  403    H    ALA  54           HN       ALA  54  13.779   4.217   1.967
  404    HA   ALA  54           HA       ALA  54  15.927   3.681   0.205
  405    HB1  ALA  54           HB1      ALA  54  16.169   3.594   2.636
  406    HB2  ALA  54           HB2      ALA  54  15.097   2.195   2.698
  407    HB3  ALA  54           HB3      ALA  54  16.660   2.071   1.894
  408    H    LEU  55           HN       LEU  55  12.945   2.065   0.924
  409    HA   LEU  55           HA       LEU  55  13.543  -0.422  -0.333
  410    HG   LEU  55           HG       LEU  55  10.174  -1.561   0.789
  411    HB2  LEU  55           HB2      LEU  55  11.834  -0.073   1.452
  412    HB3  LEU  55           HB3      LEU  55  10.873   0.847   0.319
  413   HD11  LEU  55          HD11      LEU  55   9.275  -0.249  -1.060
  414   HD12  LEU  55          HD12      LEU  55  10.641  -0.731  -2.069
  415   HD13  LEU  55          HD13      LEU  55   9.485  -1.941  -1.515
  416   HD21  LEU  55          HD21      LEU  55  11.295  -3.281  -0.535
  417   HD22  LEU  55          HD22      LEU  55  12.514  -2.108  -1.031
  418   HD23  LEU  55          HD23      LEU  55  12.382  -2.581   0.664
  419    H    LEU  56           HN       LEU  56  12.201   2.644  -1.350
  420    HA   LEU  56           HA       LEU  56  11.465   1.753  -3.970
  421    HG   LEU  56           HG       LEU  56  12.623   4.925  -4.463
  422    HB2  LEU  56           HB2      LEU  56  10.198   3.547  -3.393
  423    HB3  LEU  56           HB3      LEU  56  11.451   4.243  -2.385
  424   HD11  LEU  56          HD11      LEU  56  10.005   4.127  -5.737
  425   HD12  LEU  56          HD12      LEU  56  11.257   5.086  -6.528
  426   HD13  LEU  56          HD13      LEU  56  11.589   3.419  -6.052
  427   HD21  LEU  56          HD21      LEU  56  11.127   6.854  -4.878
  428   HD22  LEU  56          HD22      LEU  56   9.874   6.040  -3.943
  429   HD23  LEU  56          HD23      LEU  56  11.377   6.525  -3.163
  430    H    ARG  57           HN       ARG  57  14.162   3.359  -2.414
  431    HA   ARG  57           HA       ARG  57  15.650   4.171  -4.606
  432    HE   ARG  57           HE       ARG  57  17.919   3.478  -0.559
  433    HB2  ARG  57           HB2      ARG  57  16.275   4.872  -2.411
  434    HB3  ARG  57           HB3      ARG  57  16.504   3.215  -1.874
  435    HG2  ARG  57           HG2      ARG  57  18.484   2.985  -3.180
  436    HG3  ARG  57           HG3      ARG  57  18.188   4.523  -3.993
  437    HD2  ARG  57           HD2      ARG  57  19.917   4.640  -2.210
  438    HD3  ARG  57           HD3      ARG  57  18.564   5.739  -1.972
  439   HH11  ARG  57          HH12      ARG  57  20.570   5.769  -0.534
  440   HH12  ARG  57          HH11      ARG  57  20.837   5.632   1.186
  441   HH21  ARG  57          HH22      ARG  57  18.267   3.298   1.698
  442   HH22  ARG  57          HH21      ARG  57  19.523   4.224   2.452
  443    H    GLN  58           HN       GLN  58  15.289   0.968  -3.221
  444    HA   GLN  58           HA       GLN  58  17.349  -0.366  -4.525
  445    HB2  GLN  58           HB2      GLN  58  16.267  -2.355  -4.031
  446    HB3  GLN  58           HB3      GLN  58  15.549  -1.261  -2.858
  447    HG2  GLN  58           HG2      GLN  58  13.531  -1.150  -4.022
  448    HG3  GLN  58           HG3      GLN  58  14.237  -1.823  -5.491
  449   HE21  GLN  58          HE21      GLN  58  11.922  -2.693  -3.859
  450   HE22  GLN  58          HE22      GLN  58  12.245  -4.335  -3.453
  451    H    LEU  59           HN       LEU  59  14.255   0.739  -5.810
  452    HA   LEU  59           HA       LEU  59  14.611  -0.635  -8.327
  453    HG   LEU  59           HG       LEU  59  12.331  -0.527  -6.149
  454    HB2  LEU  59           HB2      LEU  59  12.621   1.491  -7.540
  455    HB3  LEU  59           HB3      LEU  59  12.548   0.495  -8.980
  456   HD11  LEU  59          HD11      LEU  59   9.983  -0.914  -6.708
  457   HD12  LEU  59          HD12      LEU  59  10.397   0.798  -6.793
  458   HD13  LEU  59          HD13      LEU  59  10.229  -0.144  -8.276
  459   HD21  LEU  59          HD21      LEU  59  12.006  -1.929  -8.802
  460   HD22  LEU  59          HD22      LEU  59  13.316  -2.172  -7.647
  461   HD23  LEU  59          HD23      LEU  59  11.668  -2.634  -7.221
  462    H    GLN  60           HN       GLN  60  15.981   2.100  -7.051
  463    HA   GLN  60           HA       GLN  60  15.890   3.675  -9.498
  464    HB2  GLN  60           HB2      GLN  60  17.206   4.232  -6.837
  465    HB3  GLN  60           HB3      GLN  60  17.183   5.345  -8.200
  466    HG2  GLN  60           HG2      GLN  60  14.745   5.444  -8.078
  467    HG3  GLN  60           HG3      GLN  60  14.769   4.328  -6.714
  468   HE21  GLN  60          HE21      GLN  60  13.758   7.057  -6.885
  469   HE22  GLN  60          HE22      GLN  60  14.605   7.951  -5.672
  470    HA   PRO  61           HA       PRO  61  19.684   1.770 -10.905
  471    HB2  PRO  61           HB2      PRO  61  19.757   3.831 -12.965
  472    HB3  PRO  61           HB3      PRO  61  19.487   2.097 -13.138
  473    HG2  PRO  61           HG2      PRO  61  17.547   3.940 -13.552
  474    HG3  PRO  61           HG3      PRO  61  17.212   2.303 -12.959
  475    HD2  PRO  61           HD2      PRO  61  17.366   4.881 -11.444
  476    HD3  PRO  61           HD3      PRO  61  16.230   3.527 -11.265
  477    H    SER  62           HN       SER  62  19.821   3.848  -8.835
  478    HA   SER  62           HA       SER  62  22.020   5.569  -9.666
  479    HG   SER  62           HG       SER  62  22.635   6.471  -6.929
  480    HB2  SER  62           HB2      SER  62  20.132   6.445  -8.273
  481    HB3  SER  62           HB3      SER  62  20.639   5.369  -6.974
  482    H    SER  63           HN       SER  63  22.258   2.643  -9.468
  483    HA   SER  63           HA       SER  63  23.544   1.797  -7.140
  484    HG   SER  63           HG       SER  63  21.850   0.435  -8.111
  485    HB2  SER  63           HB2      SER  63  23.983   0.730  -9.934
  486    HB3  SER  63           HB3      SER  63  24.211  -0.137  -8.415
  487    H    GLN  64           HN       GLN  64  25.462   2.192  -6.343
  488    HA   GLN  64           HA       GLN  64  27.637   3.072  -8.124
  489    HB2  GLN  64           HB2      GLN  64  27.067   3.994  -5.291
  490    HB3  GLN  64           HB3      GLN  64  28.463   4.469  -6.250
  491    HG2  GLN  64           HG2      GLN  64  25.597   5.054  -6.962
  492    HG3  GLN  64           HG3      GLN  64  26.710   6.186  -6.195
  493   HE21  GLN  64          HE21      GLN  64  25.293   6.205  -8.817
  494   HE22  GLN  64          HE22      GLN  64  26.534   6.474  -9.990
  495    H    GLY  65           HN       GLY  65  29.424   3.074  -5.695
  496    HA2  GLY  65           HA1      GLY  65  30.180   0.312  -5.754
  497    HA3  GLY  65           HA2      GLY  65  30.895   1.568  -4.750
  498    H    GLY  66           HN       GLY  66  28.078  -0.545  -5.045
  499    HA2  GLY  66           HA1      GLY  66  26.999  -1.756  -3.381
  500    HA3  GLY  66           HA2      GLY  66  28.093  -1.048  -2.198
  501    H    SER  67           HN       SER  67  26.895  -0.067  -0.701
  502    HA   SER  67           HA       SER  67  24.581   1.516  -1.556
  503    HG   SER  67           HG       SER  67  23.965   2.670   0.705
  504    HB2  SER  67           HB2      SER  67  24.262  -0.091   0.310
  505    HB3  SER  67           HB3      SER  67  25.479   0.777   1.243
  506    H    LEU  68           HN       LEU  68  27.705   2.034  -1.469
  507    HA   LEU  68           HA       LEU  68  27.810   4.461   0.092
  508    HG   LEU  68           HG       LEU  68  31.214   3.036   0.363
  509    HB2  LEU  68           HB2      LEU  68  29.804   3.107  -1.718
  510    HB3  LEU  68           HB3      LEU  68  30.114   4.656  -0.963
  511   HD11  LEU  68          HD11      LEU  68  30.124   3.231   2.518
  512   HD12  LEU  68          HD12      LEU  68  30.022   4.748   1.627
  513   HD13  LEU  68          HD13      LEU  68  28.615   3.693   1.733
  514   HD21  LEU  68          HD21      LEU  68  28.628   1.487   0.433
  515   HD22  LEU  68          HD22      LEU  68  30.091   1.039  -0.446
  516   HD23  LEU  68          HD23      LEU  68  30.098   1.079   1.318
  517    H    LEU  69           HN       LEU  69  28.290   6.553  -0.825
  518    HA   LEU  69           HA       LEU  69  27.168   6.842  -3.534
  519    HG   LEU  69           HG       LEU  69  27.682   9.477  -0.973
  520    HB2  LEU  69           HB2      LEU  69  26.009   8.843  -2.875
  521    HB3  LEU  69           HB3      LEU  69  25.542   7.540  -1.803
  522   HD11  LEU  69          HD11      LEU  69  24.706   9.874  -0.693
  523   HD12  LEU  69          HD12      LEU  69  25.952  10.855   0.076
  524   HD13  LEU  69          HD13      LEU  69  25.797  10.845  -1.681
  525   HD21  LEU  69          HD21      LEU  69  26.770   8.948   1.272
  526   HD22  LEU  69          HD22      LEU  69  25.662   7.803   0.517
  527   HD23  LEU  69          HD23      LEU  69  27.400   7.535   0.435
  528    H    ALA  70           HN       ALA  70  29.917   6.950  -2.032
  529    HA   ALA  70           HA       ALA  70  30.847   9.612  -2.608
  530    HB1  ALA  70           HB1      ALA  70  33.004   8.802  -1.790
  531    HB2  ALA  70           HB2      ALA  70  31.698   8.394  -0.674
  532    HB3  ALA  70           HB3      ALA  70  32.369   7.158  -1.737
  533    HA   PRO  71           HA       PRO  71  32.354   8.639  -6.715
  534    HB2  PRO  71           HB2      PRO  71  33.705  11.199  -6.675
  535    HB3  PRO  71           HB3      PRO  71  32.271  10.732  -7.588
  536    HG2  PRO  71           HG2      PRO  71  32.227  12.539  -5.540
  537    HG3  PRO  71           HG3      PRO  71  30.835  11.540  -5.998
  538    HD2  PRO  71           HD2      PRO  71  32.808  11.137  -3.773
  539    HD3  PRO  71           HD3      PRO  71  31.047  10.923  -3.762
  540    H    VAL  72           HN       VAL  72  33.806   7.038  -6.085
  541    HA   VAL  72           HA       VAL  72  36.379   7.937  -5.000
  542    HB   VAL  72           HB       VAL  72  35.078   6.367  -3.608
  543   HG11  VAL  72          HG11      VAL  72  34.854   4.027  -4.273
  544   HG12  VAL  72          HG12      VAL  72  33.970   5.101  -5.359
  545   HG13  VAL  72          HG13      VAL  72  35.516   4.417  -5.861
  546   HG21  VAL  72          HG21      VAL  72  37.507   6.437  -3.431
  547   HG22  VAL  72          HG22      VAL  72  36.891   4.810  -3.139
  548   HG23  VAL  72          HG23      VAL  72  37.640   5.207  -4.686
  549    H    ALA  73           HN       ALA  73  38.278   7.431  -5.970
  550    HA   ALA  73           HA       ALA  73  38.186   7.008  -8.784
  551    HB1  ALA  73           HB1      ALA  73  40.606   7.238  -8.705
  552    HB2  ALA  73           HB2      ALA  73  39.838   8.473  -7.709
  553    HB3  ALA  73           HB3      ALA  73  40.583   7.068  -6.949
  554    H    ARG  74           HN       ARG  74  40.036   5.174  -6.342
  555    HA   ARG  74           HA       ARG  74  39.100   2.641  -7.184
  556    HE   ARG  74           HE       ARG  74  39.242   1.512 -10.229
  557    HB2  ARG  74           HB2      ARG  74  40.495   3.260  -9.169
  558    HB3  ARG  74           HB3      ARG  74  41.898   3.332  -8.114
  559    HG2  ARG  74           HG2      ARG  74  41.645   1.226  -9.450
  560    HG3  ARG  74           HG3      ARG  74  41.828   1.006  -7.709
  561    HD2  ARG  74           HD2      ARG  74  40.097  -0.458  -8.668
  562    HD3  ARG  74           HD3      ARG  74  39.452   0.655  -7.465
  563   HH11  ARG  74          HH12      ARG  74  37.721  -0.074  -7.517
  564   HH12  ARG  74          HH11      ARG  74  36.101   0.159  -8.117
  565   HH21  ARG  74          HH22      ARG  74  37.107   1.860 -11.012
  566   HH22  ARG  74          HH21      ARG  74  35.753   1.262 -10.096
  567    H    ASN  75           HN       ASN  75  39.107   3.517  -4.761
  568    HA   ASN  75           HA       ASN  75  41.081   1.891  -3.419
  569    HB2  ASN  75           HB2      ASN  75  41.570   3.733  -1.742
  570    HB3  ASN  75           HB3      ASN  75  42.337   3.875  -3.311
  571   HD21  ASN  75          HD21      ASN  75  41.634   5.841  -1.200
  572   HD22  ASN  75          HD22      ASN  75  40.746   7.083  -2.014
  573    H    GLY  76           HN       GLY  76  40.189   0.796  -1.862
  574    HA2  GLY  76           HA1      GLY  76  37.430   0.893  -1.371
  575    HA3  GLY  76           HA2      GLY  76  38.608  -0.015  -0.440
  576    H    ARG  77           HN       ARG  77  40.157   2.073   0.561
  577    HA   ARG  77           HA       ARG  77  38.504   4.035   1.832
  578    HE   ARG  77           HE       ARG  77  38.569   5.129   6.393
  579    HB2  ARG  77           HB2      ARG  77  37.839   2.144   3.193
  580    HB3  ARG  77           HB3      ARG  77  39.519   1.706   3.470
  581    HG2  ARG  77           HG2      ARG  77  38.582   2.781   5.421
  582    HG3  ARG  77           HG3      ARG  77  39.853   3.779   4.719
  583    HD2  ARG  77           HD2      ARG  77  38.141   5.154   3.613
  584    HD3  ARG  77           HD3      ARG  77  36.883   4.175   4.369
  585   HH11  ARG  77          HH12      ARG  77  36.293   6.400   4.044
  586   HH12  ARG  77          HH11      ARG  77  35.855   7.769   5.025
  587   HH21  ARG  77          HH22      ARG  77  37.990   6.928   7.682
  588   HH22  ARG  77          HH21      ARG  77  36.790   8.052   7.104
  589    H    LEU  78           HN       LEU  78  40.076   5.370   0.913
  590    HA   LEU  78           HA       LEU  78  42.291   5.900   2.681
  591    HG   LEU  78           HG       LEU  78  43.158   3.348   1.660
  592    HB2  LEU  78           HB2      LEU  78  42.730   5.003  -0.156
  593    HB3  LEU  78           HB3      LEU  78  43.857   6.096   0.621
  594   HD11  LEU  78          HD11      LEU  78  44.335   3.230  -0.487
  595   HD12  LEU  78          HD12      LEU  78  45.609   4.264   0.159
  596   HD13  LEU  78          HD13      LEU  78  45.342   2.661   0.843
  597   HD21  LEU  78          HD21      LEU  78  45.296   5.324   2.461
  598   HD22  LEU  78          HD22      LEU  78  43.872   4.885   3.404
  599   HD23  LEU  78          HD23      LEU  78  45.125   3.685   3.091
  600    H1   GLY   1           H1       GLY   1 -27.270   2.737 -10.556
  601    H2   GLY   1           H2       GLY   1 -26.946   1.111 -10.890
  602    H3   GLY   1           H3       GLY   1 -25.669   2.202 -10.701
  603    HA2  GLY   1           HA2      GLY   1 -27.547   1.250  -8.614
  604    HA3  GLY   1           HA1      GLY   1 -25.824   0.917  -8.714
  605    HA   PRO   2           HA       PRO   2 -27.021   4.855  -6.204
  606    HB2  PRO   2           HB2      PRO   2 -26.106   3.253  -3.896
  607    HB3  PRO   2           HB3      PRO   2 -27.529   4.285  -4.055
  608    HG2  PRO   2           HG2      PRO   2 -27.751   1.621  -4.013
  609    HG3  PRO   2           HG3      PRO   2 -28.792   2.619  -5.046
  610    HD2  PRO   2           HD2      PRO   2 -26.377   1.005  -5.782
  611    HD3  PRO   2           HD3      PRO   2 -27.913   1.198  -6.656
  612    H    LEU   3           HN       LEU   3 -25.539   6.340  -5.523
  613    HA   LEU   3           HA       LEU   3 -23.565   7.386  -5.232
  614    HG   LEU   3           HG       LEU   3 -20.693   6.314  -4.991
  615    HB2  LEU   3           HB2      LEU   3 -23.205   5.809  -3.392
  616    HB3  LEU   3           HB3      LEU   3 -22.503   4.656  -4.511
  617   HD11  LEU   3          HD11      LEU   3 -21.894   7.787  -2.654
  618   HD12  LEU   3          HD12      LEU   3 -20.382   8.181  -3.472
  619   HD13  LEU   3          HD13      LEU   3 -21.913   8.326  -4.333
  620   HD21  LEU   3          HD21      LEU   3 -20.993   5.458  -2.114
  621   HD22  LEU   3          HD22      LEU   3 -20.334   4.483  -3.428
  622   HD23  LEU   3          HD23      LEU   3 -19.486   5.934  -2.898
  623    H    GLY   4           HN       GLY   4 -22.121   4.351  -6.322
  624    HA2  GLY   4           HA1      GLY   4 -21.619   4.141  -8.758
  625    HA3  GLY   4           HA2      GLY   4 -21.139   5.830  -8.677
  626    H    SER   5           HN       SER   5 -19.282   6.397  -7.393
  627    HA   SER   5           HA       SER   5 -17.083   6.180  -6.847
  628    HG   SER   5           HG       SER   5 -15.598   3.896  -5.996
  629    HB2  SER   5           HB2      SER   5 -18.089   4.818  -4.996
  630    HB3  SER   5           HB3      SER   5 -17.869   3.379  -5.987
  631    H    SER   6           HN       SER   6 -17.711   5.792  -9.476
  632    HA   SER   6           HA       SER   6 -16.929   5.046 -11.463
  633    HG   SER   6           HG       SER   6 -13.861   5.528  -9.786
  634    HB2  SER   6           HB2      SER   6 -14.796   3.656  -9.822
  635    HB3  SER   6           HB3      SER   6 -14.785   3.821 -11.580
  636    H    ALA   7           HN       ALA   7 -16.712   2.391  -9.082
  637    HA   ALA   7           HA       ALA   7 -18.671   0.887 -10.610
  638    HB1  ALA   7           HB1      ALA   7 -15.927  -0.241 -10.052
  639    HB2  ALA   7           HB2      ALA   7 -17.292  -1.134 -10.726
  640    HB3  ALA   7           HB3      ALA   7 -16.568   0.191 -11.636
  641    H    GLY   8           HN       GLY   8 -20.121   0.364  -9.137
  642    HA2  GLY   8           HA1      GLY   8 -19.729   0.459  -6.367
  643    HA3  GLY   8           HA2      GLY   8 -21.094  -0.292  -7.176
  644    H    ALA   9           HN       ALA   9 -19.736  -2.326  -8.566
  645    HA   ALA   9           HA       ALA   9 -19.589  -4.311  -6.566
  646    HB1  ALA   9           HB1      ALA   9 -18.857  -5.808  -8.346
  647    HB2  ALA   9           HB2      ALA   9 -20.211  -4.808  -8.877
  648    HB3  ALA   9           HB3      ALA   9 -18.573  -4.424  -9.402
  649    H    LEU  10           HN       LEU  10 -17.114  -2.487  -8.285
  650    HA   LEU  10           HA       LEU  10 -14.857  -3.887  -7.378
  651    HG   LEU  10           HG       LEU  10 -13.131  -1.253  -6.837
  652    HB2  LEU  10           HB2      LEU  10 -14.683  -2.322  -9.195
  653    HB3  LEU  10           HB3      LEU  10 -15.219  -0.999  -8.176
  654   HD11  LEU  10          HD11      LEU  10 -12.360  -3.162  -9.034
  655   HD12  LEU  10          HD12      LEU  10 -11.276  -2.528  -7.795
  656   HD13  LEU  10          HD13      LEU  10 -12.625  -3.570  -7.340
  657   HD21  LEU  10          HD21      LEU  10 -13.016  -0.608  -9.764
  658   HD22  LEU  10          HD22      LEU  10 -13.115   0.494  -8.395
  659   HD23  LEU  10          HD23      LEU  10 -11.621  -0.392  -8.709
  660    H    LEU  11           HN       LEU  11 -16.493  -1.031  -6.076
  661    HA   LEU  11           HA       LEU  11 -14.829  -0.710  -3.817
  662    HG   LEU  11           HG       LEU  11 -16.968   2.161  -2.853
  663    HB2  LEU  11           HB2      LEU  11 -16.362   1.012  -4.782
  664    HB3  LEU  11           HB3      LEU  11 -17.724   0.100  -4.170
  665   HD11  LEU  11          HD11      LEU  11 -17.422   1.090  -0.682
  666   HD12  LEU  11          HD12      LEU  11 -18.559   0.602  -1.938
  667   HD13  LEU  11          HD13      LEU  11 -17.262  -0.489  -1.451
  668   HD21  LEU  11          HD21      LEU  11 -14.809   0.240  -1.995
  669   HD22  LEU  11          HD22      LEU  11 -14.577   1.739  -2.893
  670   HD23  LEU  11          HD23      LEU  11 -15.166   1.789  -1.232
  671    H    ALA  12           HN       ALA  12 -17.853  -2.442  -4.367
  672    HA   ALA  12           HA       ALA  12 -18.398  -3.156  -1.723
  673    HB1  ALA  12           HB1      ALA  12 -19.885  -4.834  -2.649
  674    HB2  ALA  12           HB2      ALA  12 -20.028  -3.317  -3.536
  675    HB3  ALA  12           HB3      ALA  12 -19.122  -4.662  -4.230
  676    H    HIS  13           HN       HIS  13 -16.675  -5.075  -4.237
  677    HA   HIS  13           HA       HIS  13 -16.288  -7.219  -2.390
  678    HD1  HIS  13           HD1      HIS  13 -12.693  -7.856  -4.562
  679    HD2  HIS  13           HD2      HIS  13 -15.413  -5.537  -6.683
  680    HE1  HIS  13           HE1      HIS  13 -11.355  -6.699  -6.343
  681    HE2  HIS  13           HE2      HIS  13 -13.077  -5.572  -7.790
  682    HB2  HIS  13           HB2      HIS  13 -15.163  -8.405  -4.078
  683    HB3  HIS  13           HB3      HIS  13 -16.391  -7.475  -4.919
  684    H    ALA  14           HN       ALA  14 -14.426  -4.393  -3.244
  685    HA   ALA  14           HA       ALA  14 -11.992  -5.233  -2.027
  686    HB1  ALA  14           HB1      ALA  14 -13.046  -2.438  -2.458
  687    HB2  ALA  14           HB2      ALA  14 -11.383  -2.864  -2.054
  688    HB3  ALA  14           HB3      ALA  14 -12.072  -3.363  -3.599
  689    H    ALA  15           HN       ALA  15 -14.795  -3.390  -0.906
  690    HA   ALA  15           HA       ALA  15 -13.908  -2.990   1.748
  691    HB1  ALA  15           HB1      ALA  15 -16.241  -2.433   2.222
  692    HB2  ALA  15           HB2      ALA  15 -15.695  -1.667   0.730
  693    HB3  ALA  15           HB3      ALA  15 -16.722  -3.101   0.664
  694    H    SER  16           HN       SER  16 -15.628  -5.592   0.148
  695    HA   SER  16           HA       SER  16 -16.412  -7.000   2.471
  696    HG   SER  16           HG       SER  16 -16.578  -9.778   1.201
  697    HB2  SER  16           HB2      SER  16 -17.254  -7.290   0.057
  698    HB3  SER  16           HB3      SER  16 -15.820  -8.281  -0.197
  699    H    LEU  17           HN       LEU  17 -13.486  -7.001   0.515
  700    HA   LEU  17           HA       LEU  17 -12.285  -9.214   1.885
  701    HG   LEU  17           HG       LEU  17 -12.516  -8.502  -1.157
  702    HB2  LEU  17           HB2      LEU  17 -11.060  -7.055   0.163
  703    HB3  LEU  17           HB3      LEU  17 -10.196  -8.454   0.769
  704   HD11  LEU  17          HD11      LEU  17  -9.584  -9.080  -1.531
  705   HD12  LEU  17          HD12      LEU  17 -10.839  -9.284  -2.753
  706   HD13  LEU  17          HD13      LEU  17 -10.456  -7.675  -2.142
  707   HD21  LEU  17          HD21      LEU  17 -10.830 -10.764  -0.084
  708   HD22  LEU  17          HD22      LEU  17 -12.520 -10.456   0.313
  709   HD23  LEU  17          HD23      LEU  17 -12.068 -10.895  -1.335
  710    H    GLY  18           HN       GLY  18 -12.570  -5.822   2.428
  711    HA2  GLY  18           HA1      GLY  18 -12.171  -4.750   4.467
  712    HA3  GLY  18           HA2      GLY  18 -11.205  -6.127   4.979
  713    H    VAL  19           HN       VAL  19 -10.696  -4.599   1.892
  714    HA   VAL  19           HA       VAL  19  -7.972  -4.000   2.510
  715    HB   VAL  19           HB       VAL  19  -9.605  -3.054   0.142
  716   HG11  VAL  19          HG11      VAL  19  -6.622  -3.290   0.517
  717   HG12  VAL  19          HG12      VAL  19  -7.438  -2.828  -0.978
  718   HG13  VAL  19          HG13      VAL  19  -7.549  -1.791   0.444
  719   HG21  VAL  19          HG21      VAL  19  -7.908  -5.529   0.447
  720   HG22  VAL  19          HG22      VAL  19  -9.663  -5.476   0.278
  721   HG23  VAL  19          HG23      VAL  19  -8.631  -4.968  -1.061
  722    H    ARG  20           HN       ARG  20  -7.094  -2.114   3.214
  723    HA   ARG  20           HA       ARG  20  -8.867   0.235   3.398
  724    HE   ARG  20           HE       ARG  20 -10.227  -2.801   7.418
  725    HB2  ARG  20           HB2      ARG  20  -6.947  -0.676   5.548
  726    HB3  ARG  20           HB3      ARG  20  -8.028   0.707   5.624
  727    HG2  ARG  20           HG2      ARG  20  -9.956  -0.780   5.586
  728    HG3  ARG  20           HG3      ARG  20  -8.882  -2.177   5.473
  729    HD2  ARG  20           HD2      ARG  20  -7.888  -1.568   7.634
  730    HD3  ARG  20           HD3      ARG  20  -8.996  -0.200   7.750
  731   HH11  ARG  20          HH12      ARG  20  -9.209  -0.288   9.628
  732   HH12  ARG  20          HH11      ARG  20 -10.237  -0.835  10.921
  733   HH21  ARG  20          HH22      ARG  20 -11.589  -3.519   9.119
  734   HH22  ARG  20          HH21      ARG  20 -11.587  -2.668  10.625
  735    H    LEU  21           HN       LEU  21  -7.972   2.093   2.707
  736    HA   LEU  21           HA       LEU  21  -5.062   2.401   2.803
  737    HG   LEU  21           HG       LEU  21  -4.499   1.119   0.869
  738    HB2  LEU  21           HB2      LEU  21  -6.811   2.940   0.406
  739    HB3  LEU  21           HB3      LEU  21  -5.224   3.656   0.597
  740   HD11  LEU  21          HD11      LEU  21  -6.767   0.234   0.744
  741   HD12  LEU  21          HD12      LEU  21  -6.960   0.947  -0.858
  742   HD13  LEU  21          HD13      LEU  21  -5.776  -0.335  -0.601
  743   HD21  LEU  21          HD21      LEU  21  -4.015   1.095  -1.537
  744   HD22  LEU  21          HD22      LEU  21  -5.101   2.466  -1.758
  745   HD23  LEU  21          HD23      LEU  21  -3.634   2.648  -0.795
  746    H    TRP  22           HN       TRP  22  -4.519   4.258   3.755
  747    HA   TRP  22           HA       TRP  22  -6.209   6.598   3.408
  748    HD1  TRP  22           HD1      TRP  22  -4.504   7.184   7.543
  749    HE1  TRP  22           HE1      TRP  22  -3.373   5.450   9.069
  750    HE3  TRP  22           HE3      TRP  22  -6.343   2.913   5.417
  751    HZ2  TRP  22           HZ2      TRP  22  -3.268   2.643   9.332
  752    HZ3  TRP  22           HZ3      TRP  22  -5.675   0.745   6.365
  753    HH2  TRP  22           HH2      TRP  22  -4.169   0.614   8.284
  754    HB2  TRP  22           HB2      TRP  22  -6.399   7.080   5.780
  755    HB3  TRP  22           HB3      TRP  22  -7.115   5.513   5.434
  756    H    VAL  23           HN       VAL  23  -5.096   8.494   3.479
  757    HA   VAL  23           HA       VAL  23  -2.233   8.278   3.373
  758    HB   VAL  23           HB       VAL  23  -3.352   9.748   1.797
  759   HG11  VAL  23          HG11      VAL  23  -5.264  10.399   3.166
  760   HG12  VAL  23          HG12      VAL  23  -4.209  11.383   4.181
  761   HG13  VAL  23          HG13      VAL  23  -4.453  11.810   2.486
  762   HG21  VAL  23          HG21      VAL  23  -1.077  10.314   2.424
  763   HG22  VAL  23          HG22      VAL  23  -2.011  11.778   2.110
  764   HG23  VAL  23          HG23      VAL  23  -1.671  11.288   3.769
  765    H    GLU  24           HN       GLU  24  -0.807   8.741   4.915
  766    HA   GLU  24           HA       GLU  24  -1.727  10.156   7.320
  767    HB2  GLU  24           HB2      GLU  24  -1.693   7.674   7.655
  768    HB3  GLU  24           HB3      GLU  24   0.029   7.695   7.309
  769    HG2  GLU  24           HG2      GLU  24   0.414   9.100   9.255
  770    HG3  GLU  24           HG3      GLU  24  -1.319   9.107   9.596
  771    H    GLY  25           HN       GLY  25  -0.649  12.017   7.050
  772    HA2  GLY  25           HA1      GLY  25   1.147  13.461   7.010
  773    HA3  GLY  25           HA2      GLY  25   2.191  12.080   7.329
  774    H    GLU  26           HN       GLU  26   3.513  11.462   5.761
  775    HA   GLU  26           HA       GLU  26   3.022  12.502   3.057
  776    HB2  GLU  26           HB2      GLU  26   5.544  11.533   4.402
  777    HB3  GLU  26           HB3      GLU  26   5.448  11.945   2.696
  778    HG2  GLU  26           HG2      GLU  26   4.913  13.824   4.985
  779    HG3  GLU  26           HG3      GLU  26   6.393  13.754   4.030
  780    H    ARG  27           HN       ARG  27   2.737   9.674   4.842
  781    HA   ARG  27           HA       ARG  27   3.303   7.997   2.484
  782    HE   ARG  27           HE       ARG  27   3.513   3.561   2.602
  783    HB2  ARG  27           HB2      ARG  27   4.792   7.703   4.511
  784    HB3  ARG  27           HB3      ARG  27   3.380   7.095   5.365
  785    HG2  ARG  27           HG2      ARG  27   4.203   5.845   2.781
  786    HG3  ARG  27           HG3      ARG  27   5.066   5.447   4.266
  787    HD2  ARG  27           HD2      ARG  27   3.092   4.605   5.291
  788    HD3  ARG  27           HD3      ARG  27   2.069   5.250   4.010
  789   HH11  ARG  27          HH12      ARG  27   2.206   3.084   5.811
  790   HH12  ARG  27          HH11      ARG  27   1.931   1.385   5.593
  791   HH21  ARG  27          HH22      ARG  27   3.146   1.307   2.309
  792   HH22  ARG  27          HH21      ARG  27   2.460   0.369   3.598
  793    H    LEU  28           HN       LEU  28   1.599   7.092   1.581
  794    HA   LEU  28           HA       LEU  28  -0.975   7.032   2.835
  795    HG   LEU  28           HG       LEU  28  -2.808   6.321   1.303
  796    HB2  LEU  28           HB2      LEU  28  -0.585   7.312   0.373
  797    HB3  LEU  28           HB3      LEU  28  -0.054   5.645   0.308
  798   HD11  LEU  28          HD11      LEU  28  -3.642   6.050  -0.976
  799   HD12  LEU  28          HD12      LEU  28  -2.563   7.440  -0.856
  800   HD13  LEU  28          HD13      LEU  28  -1.987   5.935  -1.575
  801   HD21  LEU  28          HD21      LEU  28  -3.311   4.089   0.436
  802   HD22  LEU  28          HD22      LEU  28  -1.641   3.917  -0.101
  803   HD23  LEU  28          HD23      LEU  28  -2.006   4.037   1.621
  804    H    ARG  29           HN       ARG  29  -1.565   5.581   4.312
  805    HA   ARG  29           HA       ARG  29   0.072   3.242   4.776
  806    HE   ARG  29           HE       ARG  29   0.487   2.978   7.994
  807    HB2  ARG  29           HB2      ARG  29  -2.503   3.956   6.181
  808    HB3  ARG  29           HB3      ARG  29  -1.209   2.922   6.766
  809    HG2  ARG  29           HG2      ARG  29  -1.011   5.893   6.336
  810    HG3  ARG  29           HG3      ARG  29  -1.252   5.091   7.887
  811    HD2  ARG  29           HD2      ARG  29   1.127   4.667   6.091
  812    HD3  ARG  29           HD3      ARG  29   1.091   5.785   7.451
  813   HH11  ARG  29          HH12      ARG  29   2.671   5.687   8.228
  814   HH12  ARG  29          HH11      ARG  29   3.748   4.913   9.347
  815   HH21  ARG  29          HH22      ARG  29   1.898   1.934   9.503
  816   HH22  ARG  29          HH21      ARG  29   3.306   2.787  10.066
  817    H    PHE  30           HN       PHE  30  -0.517   1.133   4.473
  818    HA   PHE  30           HA       PHE  30  -3.000   0.671   2.965
  819    HD1  PHE  30           HD2      PHE  30  -3.234  -2.063   2.158
  820    HD2  PHE  30           HD1      PHE  30  -0.963   0.437  -0.434
  821    HE1  PHE  30           HE2      PHE  30  -4.519  -2.895   0.234
  822    HE2  PHE  30           HE1      PHE  30  -2.243  -0.394  -2.362
  823    HZ   PHE  30           HZ       PHE  30  -4.024  -2.061  -2.031
  824    HB2  PHE  30           HB2      PHE  30  -0.592   0.558   1.814
  825    HB3  PHE  30           HB3      PHE  30  -0.593  -1.050   2.525
  826    H    GLN  31           HN       GLN  31  -4.264  -0.923   3.731
  827    HA   GLN  31           HA       GLN  31  -3.090  -2.899   5.573
  828    HB2  GLN  31           HB2      GLN  31  -4.335  -1.307   6.923
  829    HB3  GLN  31           HB3      GLN  31  -5.735  -1.454   5.871
  830    HG2  GLN  31           HG2      GLN  31  -6.112  -2.682   7.905
  831    HG3  GLN  31           HG3      GLN  31  -5.980  -3.803   6.553
  832   HE21  GLN  31          HE21      GLN  31  -5.462  -5.523   7.886
  833   HE22  GLN  31          HE22      GLN  31  -3.923  -5.660   8.663
  834    H    ALA  32           HN       ALA  32  -3.202  -4.810   4.575
  835    HA   ALA  32           HA       ALA  32  -5.701  -5.533   3.225
  836    HB1  ALA  32           HB1      ALA  32  -4.487  -6.465   1.324
  837    HB2  ALA  32           HB2      ALA  32  -4.188  -4.734   1.480
  838    HB3  ALA  32           HB3      ALA  32  -2.966  -5.891   2.007
  839    HA   PRO  33           HA       PRO  33  -5.091  -9.330   5.520
  840    HB2  PRO  33           HB2      PRO  33  -7.025 -10.362   3.527
  841    HB3  PRO  33           HB3      PRO  33  -7.121 -10.363   5.291
  842    HG2  PRO  33           HG2      PRO  33  -8.629  -8.714   3.834
  843    HG3  PRO  33           HG3      PRO  33  -7.925  -8.189   5.377
  844    HD2  PRO  33           HD2      PRO  33  -7.029  -7.596   2.582
  845    HD3  PRO  33           HD3      PRO  33  -7.108  -6.518   3.994
  846    HA   PRO  34           HA       PRO  34  -2.179 -11.532   3.087
  847    HB2  PRO  34           HB2      PRO  34  -2.491 -14.072   4.067
  848    HB3  PRO  34           HB3      PRO  34  -1.611 -12.789   4.903
  849    HG2  PRO  34           HG2      PRO  34  -4.408 -13.757   5.334
  850    HG3  PRO  34           HG3      PRO  34  -3.180 -13.293   6.529
  851    HD2  PRO  34           HD2      PRO  34  -5.200 -11.647   5.836
  852    HD3  PRO  34           HD3      PRO  34  -3.588 -11.036   6.259
  853    H    GLY  35           HN       GLY  35  -2.401 -12.007   1.000
  854    HA2  GLY  35           HA1      GLY  35  -2.778 -13.775  -0.591
  855    HA3  GLY  35           HA2      GLY  35  -4.243 -14.184   0.283
  856    H    VAL  36           HN       VAL  36  -5.208 -11.451   0.485
  857    HA   VAL  36           HA       VAL  36  -6.550 -11.455  -2.057
  858    HB   VAL  36           HB       VAL  36  -7.953  -9.693  -1.172
  859   HG11  VAL  36          HG11      VAL  36  -7.425 -11.822   0.895
  860   HG12  VAL  36          HG12      VAL  36  -8.894 -10.855   0.757
  861   HG13  VAL  36          HG13      VAL  36  -8.459 -11.986  -0.524
  862   HG21  VAL  36          HG21      VAL  36  -6.063  -9.654   1.177
  863   HG22  VAL  36          HG22      VAL  36  -6.288  -8.370  -0.012
  864   HG23  VAL  36          HG23      VAL  36  -7.599  -8.792   1.088
  865    H    MET  37           HN       MET  37  -3.728 -10.026  -1.005
  866    HA   MET  37           HA       MET  37  -4.029  -7.497  -2.363
  867    HB2  MET  37           HB2      MET  37  -2.714  -7.792  -0.243
  868    HB3  MET  37           HB3      MET  37  -1.524  -8.693  -1.169
  869    HG2  MET  37           HG2      MET  37  -0.587  -6.598  -1.092
  870    HG3  MET  37           HG3      MET  37  -1.410  -6.571  -2.646
  871    HE1  MET  37           HE1      MET  37  -4.451  -6.138  -1.810
  872    HE2  MET  37           HE2      MET  37  -4.591  -4.381  -1.768
  873    HE3  MET  37           HE3      MET  37  -3.710  -5.163  -3.079
  874    H    THR  38           HN       THR  38  -4.066 -10.166  -3.820
  875    HA   THR  38           HA       THR  38  -1.843 -10.576  -5.407
  876    HB   THR  38           HB       THR  38  -3.565 -11.298  -7.180
  877    HG1  THR  38           HG1      THR  38  -5.710 -11.468  -6.351
  878   HG21  THR  38          HG21      THR  38  -4.167 -13.307  -5.922
  879   HG22  THR  38          HG22      THR  38  -3.727 -12.507  -4.413
  880   HG23  THR  38          HG23      THR  38  -2.489 -12.862  -5.619
  881    HA   PRO  39           HA       PRO  39  -1.180  -6.980  -7.877
  882    HB2  PRO  39           HB2      PRO  39  -0.855  -8.905 -10.131
  883    HB3  PRO  39           HB3      PRO  39   0.230  -7.623  -9.582
  884    HG2  PRO  39           HG2      PRO  39   0.777 -10.168  -9.038
  885    HG3  PRO  39           HG3      PRO  39   1.070  -8.900  -7.830
  886    HD2  PRO  39           HD2      PRO  39  -1.136 -10.910  -7.978
  887    HD3  PRO  39           HD3      PRO  39  -0.284 -10.269  -6.559
  888    H    GLU  40           HN       GLU  40  -3.320  -9.504  -9.076
  889    HA   GLU  40           HA       GLU  40  -4.640  -8.066 -11.074
  890    HB2  GLU  40           HB2      GLU  40  -4.836 -10.515 -10.699
  891    HB3  GLU  40           HB3      GLU  40  -5.796 -10.194  -9.262
  892    HG2  GLU  40           HG2      GLU  40  -7.217 -10.782 -11.125
  893    HG3  GLU  40           HG3      GLU  40  -7.497  -9.111 -10.637
  894    H    LEU  41           HN       LEU  41  -5.281  -8.313  -7.581
  895    HA   LEU  41           HA       LEU  41  -7.699  -6.858  -7.584
  896    HG   LEU  41           HG       LEU  41  -7.729  -5.388  -5.242
  897    HB2  LEU  41           HB2      LEU  41  -6.885  -8.226  -5.663
  898    HB3  LEU  41           HB3      LEU  41  -5.664  -7.002  -5.356
  899   HD11  LEU  41          HD11      LEU  41  -9.706  -6.472  -4.298
  900   HD12  LEU  41          HD12      LEU  41  -9.384  -6.997  -5.950
  901   HD13  LEU  41          HD13      LEU  41  -8.974  -8.049  -4.593
  902   HD21  LEU  41          HD21      LEU  41  -7.892  -5.806  -2.819
  903   HD22  LEU  41          HD22      LEU  41  -6.993  -7.308  -3.040
  904   HD23  LEU  41          HD23      LEU  41  -6.228  -5.759  -3.398
  905    H    GLN  42           HN       GLN  42  -4.331  -5.859  -7.069
  906    HA   GLN  42           HA       GLN  42  -4.865  -3.140  -6.584
  907    HB2  GLN  42           HB2      GLN  42  -2.702  -4.092  -6.037
  908    HB3  GLN  42           HB3      GLN  42  -2.398  -4.462  -7.729
  909    HG2  GLN  42           HG2      GLN  42  -1.141  -2.515  -7.048
  910    HG3  GLN  42           HG3      GLN  42  -2.353  -2.074  -8.249
  911   HE21  GLN  42          HE21      GLN  42  -4.153  -0.871  -7.604
  912   HE22  GLN  42          HE22      GLN  42  -4.168   0.023  -6.120
  913    H    SER  43           HN       SER  43  -4.325  -4.938  -9.574
  914    HA   SER  43           HA       SER  43  -4.298  -2.746 -11.335
  915    HG   SER  43           HG       SER  43  -5.534  -3.710 -13.491
  916    HB2  SER  43           HB2      SER  43  -3.632  -5.082 -11.921
  917    HB3  SER  43           HB3      SER  43  -5.329  -5.543 -11.877
  918    H    ARG  44           HN       ARG  44  -6.919  -4.569  -9.865
  919    HA   ARG  44           HA       ARG  44  -8.976  -3.301 -11.418
  920    HE   ARG  44           HE       ARG  44  -8.300  -7.297 -12.676
  921    HB2  ARG  44           HB2      ARG  44  -9.193  -4.906  -8.863
  922    HB3  ARG  44           HB3      ARG  44 -10.532  -4.453  -9.911
  923    HG2  ARG  44           HG2      ARG  44  -8.234  -6.259 -10.636
  924    HG3  ARG  44           HG3      ARG  44  -9.900  -6.751 -10.315
  925    HD2  ARG  44           HD2      ARG  44 -10.692  -5.736 -12.272
  926    HD3  ARG  44           HD3      ARG  44  -9.231  -4.770 -12.468
  927   HH11  ARG  44          HH12      ARG  44 -10.914  -5.574 -14.244
  928   HH12  ARG  44          HH11      ARG  44 -10.805  -6.479 -15.722
  929   HH21  ARG  44          HH22      ARG  44  -8.135  -8.478 -14.597
  930   HH22  ARG  44          HH21      ARG  44  -9.209  -8.142 -15.919
  931    H    LEU  45           HN       LEU  45  -7.677  -2.916  -8.141
  932    HA   LEU  45           HA       LEU  45  -9.321  -0.854  -7.234
  933    HG   LEU  45           HG       LEU  45  -7.766  -3.149  -5.939
  934    HB2  LEU  45           HB2      LEU  45  -6.355  -1.245  -6.768
  935    HB3  LEU  45           HB3      LEU  45  -7.373  -0.157  -5.848
  936   HD11  LEU  45          HD11      LEU  45  -6.756  -3.173  -3.713
  937   HD12  LEU  45          HD12      LEU  45  -5.613  -2.599  -4.927
  938   HD13  LEU  45          HD13      LEU  45  -6.405  -1.450  -3.850
  939   HD21  LEU  45          HD21      LEU  45  -9.176  -2.744  -3.979
  940   HD22  LEU  45          HD22      LEU  45  -8.897  -1.010  -4.137
  941   HD23  LEU  45          HD23      LEU  45  -9.777  -1.880  -5.394
  942    H    GLY  46           HN       GLY  46  -6.528  -0.825  -9.352
  943    HA2  GLY  46           HA1      GLY  46  -6.145   0.622 -11.123
  944    HA3  GLY  46           HA2      GLY  46  -7.428   1.665 -10.526
  945    H    GLY  47           HN       GLY  47  -6.133   1.535  -7.802
  946    HA2  GLY  47           HA1      GLY  47  -4.560   2.685  -6.580
  947    HA3  GLY  47           HA2      GLY  47  -3.571   2.778  -8.032
  948    H    ALA  48           HN       ALA  48  -6.779   3.903  -8.333
  949    HA   ALA  48           HA       ALA  48  -5.846   6.589  -8.824
  950    HB1  ALA  48           HB1      ALA  48  -8.648   5.463  -8.877
  951    HB2  ALA  48           HB2      ALA  48  -8.139   7.026  -9.513
  952    HB3  ALA  48           HB3      ALA  48  -7.550   5.537 -10.254
  953    H    ARG  49           HN       ARG  49  -6.609   8.467  -7.726
  954    HA   ARG  49           HA       ARG  49  -6.607   8.092  -4.910
  955    HE   ARG  49           HE       ARG  49  -6.751  12.656  -4.722
  956    HB2  ARG  49           HB2      ARG  49  -6.861  10.558  -4.775
  957    HB3  ARG  49           HB3      ARG  49  -5.532  10.044  -5.802
  958    HG2  ARG  49           HG2      ARG  49  -6.881  10.472  -7.781
  959    HG3  ARG  49           HG3      ARG  49  -8.234  10.964  -6.760
  960    HD2  ARG  49           HD2      ARG  49  -5.525  12.293  -6.829
  961    HD3  ARG  49           HD3      ARG  49  -6.964  12.884  -7.658
  962   HH11  ARG  49          HH12      ARG  49  -7.812  14.327  -7.609
  963   HH12  ARG  49          HH11      ARG  49  -8.566  15.627  -6.739
  964   HH21  ARG  49          HH22      ARG  49  -7.735  14.361  -3.559
  965   HH22  ARG  49          HH21      ARG  49  -8.528  15.647  -4.433
  966    H    HIS  50           HN       HIS  50  -9.134   9.205  -7.163
  967    HA   HIS  50           HA       HIS  50 -11.066   9.679  -5.198
  968    HD1  HIS  50           HD1      HIS  50 -12.117   7.200  -8.747
  969    HD2  HIS  50           HD2      HIS  50  -9.967  10.715  -9.374
  970    HE1  HIS  50           HE1      HIS  50 -11.050   6.959 -11.009
  971    HE2  HIS  50           HE2      HIS  50  -9.614   9.006 -11.283
  972    HB2  HIS  50           HB2      HIS  50 -12.731   9.263  -7.151
  973    HB3  HIS  50           HB3      HIS  50 -11.642  10.639  -7.212
  974    H    GLU  51           HN       GLU  51 -10.248   6.697  -6.892
  975    HA   GLU  51           HA       GLU  51 -12.404   5.155  -5.932
  976    HB2  GLU  51           HB2      GLU  51  -9.791   4.615  -7.188
  977    HB3  GLU  51           HB3      GLU  51 -10.392   3.325  -6.158
  978    HG2  GLU  51           HG2      GLU  51 -11.081   2.889  -8.397
  979    HG3  GLU  51           HG3      GLU  51 -12.505   3.341  -7.461
  980    H    LEU  52           HN       LEU  52  -9.145   5.718  -4.671
  981    HA   LEU  52           HA       LEU  52  -9.505   3.920  -2.482
  982    HG   LEU  52           HG       LEU  52  -7.320   4.274  -4.710
  983    HB2  LEU  52           HB2      LEU  52  -7.367   5.989  -2.963
  984    HB3  LEU  52           HB3      LEU  52  -7.319   4.744  -1.728
  985   HD11  LEU  52          HD11      LEU  52  -5.153   3.903  -2.655
  986   HD12  LEU  52          HD12      LEU  52  -5.042   3.501  -4.368
  987   HD13  LEU  52          HD13      LEU  52  -5.223   5.183  -3.864
  988   HD21  LEU  52          HD21      LEU  52  -6.941   1.926  -4.140
  989   HD22  LEU  52          HD22      LEU  52  -7.124   2.311  -2.428
  990   HD23  LEU  52          HD23      LEU  52  -8.493   2.494  -3.523
  991    H    ILE  53           HN       ILE  53 -10.047   7.334  -2.963
  992    HA   ILE  53           HA       ILE  53 -10.219   8.041  -0.224
  993    HB   ILE  53           HB       ILE  53 -11.553   9.270  -2.642
  994   HG12  ILE  53          HG12      ILE  53  -9.209  10.193  -0.964
  995   HG13  ILE  53          HG13      ILE  53  -9.077   9.401  -2.531
  996   HG21  ILE  53          HG21      ILE  53 -12.034  11.209  -1.207
  997   HG22  ILE  53          HG22      ILE  53 -12.893   9.763  -0.676
  998   HG23  ILE  53          HG23      ILE  53 -11.455  10.302   0.192
  999   HD11  ILE  53          HD11      ILE  53 -10.390  12.059  -2.008
 1000   HD12  ILE  53          HD12      ILE  53  -8.796  11.807  -2.720
 1001   HD13  ILE  53          HD13      ILE  53 -10.241  11.268  -3.576
 1002    H    ALA  54           HN       ALA  54 -12.585   6.784  -2.547
 1003    HA   ALA  54           HA       ALA  54 -14.780   6.762  -0.739
 1004    HB1  ALA  54           HB1      ALA  54 -15.127   6.604  -3.139
 1005    HB2  ALA  54           HB2      ALA  54 -14.275   5.059  -3.178
 1006    HB3  ALA  54           HB3      ALA  54 -15.812   5.197  -2.326
 1007    H    LEU  55           HN       LEU  55 -12.282   4.452  -1.581
 1008    HA   LEU  55           HA       LEU  55 -13.170   2.287  -0.027
 1009    HG   LEU  55           HG       LEU  55 -10.114   0.525  -1.119
 1010    HB2  LEU  55           HB2      LEU  55 -11.438   2.282  -1.848
 1011    HB3  LEU  55           HB3      LEU  55 -10.330   3.041  -0.726
 1012   HD11  LEU  55          HD11      LEU  55  -8.967   1.726   0.667
 1013   HD12  LEU  55          HD12      LEU  55 -10.382   1.536   1.704
 1014   HD13  LEU  55          HD13      LEU  55  -9.471   0.116   1.186
 1015   HD21  LEU  55          HD21      LEU  55 -11.535  -0.895   0.274
 1016   HD22  LEU  55          HD22      LEU  55 -12.504   0.511   0.716
 1017   HD23  LEU  55          HD23      LEU  55 -12.471  -0.045  -0.957
 1018    H    LEU  56           HN       LEU  56 -11.195   5.100   0.732
 1019    HA   LEU  56           HA       LEU  56 -10.658   4.368   3.436
 1020    HG   LEU  56           HG       LEU  56 -11.082   7.634   4.152
 1021    HB2  LEU  56           HB2      LEU  56  -9.199   5.949   2.495
 1022    HB3  LEU  56           HB3      LEU  56 -10.512   6.917   1.857
 1023   HD11  LEU  56          HD11      LEU  56  -8.582   6.147   4.942
 1024   HD12  LEU  56          HD12      LEU  56  -9.551   7.188   5.985
 1025   HD13  LEU  56          HD13      LEU  56 -10.233   5.687   5.362
 1026   HD21  LEU  56          HD21      LEU  56  -9.154   9.096   4.466
 1027   HD22  LEU  56          HD22      LEU  56  -8.210   8.098   3.361
 1028   HD23  LEU  56          HD23      LEU  56  -9.612   8.992   2.766
 1029    H    ARG  57           HN       ARG  57 -13.154   6.215   1.804
 1030    HA   ARG  57           HA       ARG  57 -14.362   7.427   3.987
 1031    HE   ARG  57           HE       ARG  57 -16.944   7.056   0.064
 1032    HB2  ARG  57           HB2      ARG  57 -14.905   8.103   1.755
 1033    HB3  ARG  57           HB3      ARG  57 -15.518   6.506   1.359
 1034    HG2  ARG  57           HG2      ARG  57 -17.437   6.806   2.710
 1035    HG3  ARG  57           HG3      ARG  57 -16.767   8.258   3.457
 1036    HD2  ARG  57           HD2      ARG  57 -18.518   8.680   1.713
 1037    HD3  ARG  57           HD3      ARG  57 -16.981   9.494   1.434
 1038   HH11  ARG  57          HH12      ARG  57 -18.694  10.082  -0.012
 1039   HH12  ARG  57          HH11      ARG  57 -18.907  10.070  -1.743
 1040   HH21  ARG  57          HH22      ARG  57 -17.221   7.034  -2.234
 1041   HH22  ARG  57          HH21      ARG  57 -18.062   8.342  -3.004
 1042    H    GLN  58           HN       GLN  58 -14.637   4.103   2.869
 1043    HA   GLN  58           HA       GLN  58 -16.970   3.384   4.271
 1044    HB2  GLN  58           HB2      GLN  58 -16.333   1.117   4.011
 1045    HB3  GLN  58           HB3      GLN  58 -15.700   1.950   2.597
 1046    HG2  GLN  58           HG2      GLN  58 -13.499   1.864   3.393
 1047    HG3  GLN  58           HG3      GLN  58 -14.012   1.445   5.025
 1048   HE21  GLN  58          HE21      GLN  58 -12.147   0.119   3.203
 1049   HE22  GLN  58          HE22      GLN  58 -12.727  -1.499   3.028
 1050    H    LEU  59           HN       LEU  59 -13.764   4.044   5.396
 1051    HA   LEU  59           HA       LEU  59 -14.154   2.690   7.943
 1052    HG   LEU  59           HG       LEU  59 -12.010   2.249   5.688
 1053    HB2  LEU  59           HB2      LEU  59 -11.859   4.368   6.929
 1054    HB3  LEU  59           HB3      LEU  59 -11.873   3.482   8.441
 1055   HD11  LEU  59          HD11      LEU  59  -9.753   1.452   6.181
 1056   HD12  LEU  59          HD12      LEU  59  -9.830   3.214   6.168
 1057   HD13  LEU  59          HD13      LEU  59  -9.770   2.346   7.701
 1058   HD21  LEU  59          HD21      LEU  59 -11.787   0.951   8.406
 1059   HD22  LEU  59          HD22      LEU  59 -13.216   0.939   7.371
 1060   HD23  LEU  59          HD23      LEU  59 -11.744   0.119   6.851
 1061    H    GLN  60           HN       GLN  60 -15.010   5.616   6.642
 1062    HA   GLN  60           HA       GLN  60 -14.532   7.174   9.053
 1063    HB2  GLN  60           HB2      GLN  60 -15.774   7.942   6.405
 1064    HB3  GLN  60           HB3      GLN  60 -15.471   9.054   7.736
 1065    HG2  GLN  60           HG2      GLN  60 -13.083   8.653   7.544
 1066    HG3  GLN  60           HG3      GLN  60 -13.369   7.500   6.243
 1067   HE21  GLN  60          HE21      GLN  60 -11.817   9.967   6.269
 1068   HE22  GLN  60          HE22      GLN  60 -12.473  10.965   5.023
 1069    HA   PRO  61           HA       PRO  61 -18.583   6.216  10.611
 1070    HB2  PRO  61           HB2      PRO  61 -18.161   8.348  12.552
 1071    HB3  PRO  61           HB3      PRO  61 -18.210   6.603  12.813
 1072    HG2  PRO  61           HG2      PRO  61 -15.938   8.053  13.055
 1073    HG3  PRO  61           HG3      PRO  61 -15.943   6.364  12.513
 1074    HD2  PRO  61           HD2      PRO  61 -15.752   8.876  10.884
 1075    HD3  PRO  61           HD3      PRO  61 -14.833   7.362  10.727
 1076    H    SER  62           HN       SER  62 -18.281   8.256   8.462
 1077    HA   SER  62           HA       SER  62 -20.149  10.359   9.202
 1078    HG   SER  62           HG       SER  62 -20.505  11.223   6.243
 1079    HB2  SER  62           HB2      SER  62 -18.148  10.807   7.758
 1080    HB3  SER  62           HB3      SER  62 -18.858   9.773   6.521
 1081    H    SER  63           HN       SER  63 -20.827   7.458   9.070
 1082    HA   SER  63           HA       SER  63 -22.331   6.793   6.817
 1083    HG   SER  63           HG       SER  63 -21.013   4.686   7.881
 1084    HB2  SER  63           HB2      SER  63 -22.885   5.869   9.638
 1085    HB3  SER  63           HB3      SER  63 -23.186   4.994   8.137
 1086    H    GLN  64           HN       GLN  64 -24.072   7.748   6.051
 1087    HA   GLN  64           HA       GLN  64 -26.008   8.945   7.923
 1088    HB2  GLN  64           HB2      GLN  64 -25.418   9.619   5.033
 1089    HB3  GLN  64           HB3      GLN  64 -26.734  10.320   5.961
 1090    HG2  GLN  64           HG2      GLN  64 -23.799  10.612   6.564
 1091    HG3  GLN  64           HG3      GLN  64 -24.831  11.825   5.812
 1092   HE21  GLN  64          HE21      GLN  64 -23.887  10.308   8.755
 1093   HE22  GLN  64          HE22      GLN  64 -24.776  11.340   9.817
 1094    H    GLY  65           HN       GLY  65 -27.896   9.173   5.598
 1095    HA2  GLY  65           HA1      GLY  65 -29.173   6.625   5.841
 1096    HA3  GLY  65           HA2      GLY  65 -29.686   7.957   4.810
 1097    H    GLY  66           HN       GLY  66 -27.463   5.245   5.071
 1098    HA2  GLY  66           HA1      GLY  66 -26.674   3.825   3.435
 1099    HA3  GLY  66           HA2      GLY  66 -27.658   4.689   2.259
 1100    H    SER  67           HN       SER  67 -26.414   5.475   0.699
 1101    HA   SER  67           HA       SER  67 -23.775   6.538   1.408
 1102    HG   SER  67           HG       SER  67 -22.943   7.331  -0.936
 1103    HB2  SER  67           HB2      SER  67 -23.871   4.746  -0.330
 1104    HB3  SER  67           HB3      SER  67 -24.846   5.818  -1.334
 1105    H    LEU  68           HN       LEU  68 -26.679   7.695   1.403
 1106    HA   LEU  68           HA       LEU  68 -26.351   9.980  -0.363
 1107    HG   LEU  68           HG       LEU  68 -29.967   9.217  -0.564
 1108    HB2  LEU  68           HB2      LEU  68 -28.562   9.156   1.518
 1109    HB3  LEU  68           HB3      LEU  68 -28.570  10.679   0.653
 1110   HD11  LEU  68          HD11      LEU  68 -28.836   9.013  -2.714
 1111   HD12  LEU  68          HD12      LEU  68 -28.502  10.564  -1.946
 1112   HD13  LEU  68          HD13      LEU  68 -27.283   9.287  -1.926
 1113   HD21  LEU  68          HD21      LEU  68 -27.741   7.179  -0.508
 1114   HD22  LEU  68          HD22      LEU  68 -29.246   7.102   0.410
 1115   HD23  LEU  68          HD23      LEU  68 -29.283   7.009  -1.349
 1116    H    LEU  69           HN       LEU  69 -25.961  12.060   0.306
 1117    HA   LEU  69           HA       LEU  69 -24.898  12.255   3.033
 1118    HG   LEU  69           HG       LEU  69 -25.120  14.968   0.475
 1119    HB2  LEU  69           HB2      LEU  69 -23.505  14.065   2.274
 1120    HB3  LEU  69           HB3      LEU  69 -23.297  12.687   1.217
 1121   HD11  LEU  69          HD11      LEU  69 -22.177  14.698  -0.127
 1122   HD12  LEU  69          HD12      LEU  69 -23.263  15.918  -0.792
 1123   HD13  LEU  69          HD13      LEU  69 -22.910  15.900   0.936
 1124   HD21  LEU  69          HD21      LEU  69 -24.662  14.173  -1.801
 1125   HD22  LEU  69          HD22      LEU  69 -23.642  12.892  -1.146
 1126   HD23  LEU  69          HD23      LEU  69 -25.373  12.903  -0.804
 1127    H    ALA  70           HN       ALA  70 -27.689  12.864   1.603
 1128    HA   ALA  70           HA       ALA  70 -28.270  15.528   2.416
 1129    HB1  ALA  70           HB1      ALA  70 -30.611  14.915   2.085
 1130    HB2  ALA  70           HB2      ALA  70 -29.617  14.347   0.742
 1131    HB3  ALA  70           HB3      ALA  70 -30.163  13.213   1.978
 1132    HA   PRO  71           HA       PRO  71 -28.164  14.931   6.778
 1133    HB2  PRO  71           HB2      PRO  71 -30.114  17.170   6.836
 1134    HB3  PRO  71           HB3      PRO  71 -28.545  17.019   7.633
 1135    HG2  PRO  71           HG2      PRO  71 -28.854  18.599   5.510
 1136    HG3  PRO  71           HG3      PRO  71 -27.375  17.651   5.742
 1137    HD2  PRO  71           HD2      PRO  71 -29.685  17.144   3.913
 1138    HD3  PRO  71           HD3      PRO  71 -27.948  16.897   3.632
 1139    H    VAL  72           HN       VAL  72 -29.235  13.046   7.206
 1140    HA   VAL  72           HA       VAL  72 -32.127  12.969   7.162
 1141    HB   VAL  72           HB       VAL  72 -31.755  10.624   8.127
 1142   HG11  VAL  72          HG11      VAL  72 -32.305  11.054   5.779
 1143   HG12  VAL  72          HG12      VAL  72 -30.595  11.286   5.419
 1144   HG13  VAL  72          HG13      VAL  72 -31.180   9.705   5.937
 1145   HG21  VAL  72          HG21      VAL  72 -28.915  11.268   7.334
 1146   HG22  VAL  72          HG22      VAL  72 -29.491  10.939   8.966
 1147   HG23  VAL  72          HG23      VAL  72 -29.521   9.665   7.745
 1148    H    ALA  73           HN       ALA  73 -32.951  14.235   8.690
 1149    HA   ALA  73           HA       ALA  73 -31.936  13.969  11.445
 1150    HB1  ALA  73           HB1      ALA  73 -31.651  16.203  10.450
 1151    HB2  ALA  73           HB2      ALA  73 -33.396  16.306  10.213
 1152    HB3  ALA  73           HB3      ALA  73 -32.730  16.222  11.845
 1153    H    ARG  74           HN       ARG  74 -33.566  12.009  10.768
 1154    HA   ARG  74           HA       ARG  74 -35.401  10.874  11.461
 1155    HE   ARG  74           HE       ARG  74 -39.091  10.972  15.476
 1156    HB2  ARG  74           HB2      ARG  74 -34.982  12.184  13.598
 1157    HB3  ARG  74           HB3      ARG  74 -36.204  13.320  13.043
 1158    HG2  ARG  74           HG2      ARG  74 -37.883  11.589  13.073
 1159    HG3  ARG  74           HG3      ARG  74 -36.670  10.381  13.507
 1160    HD2  ARG  74           HD2      ARG  74 -36.222  11.641  15.589
 1161    HD3  ARG  74           HD3      ARG  74 -37.522  12.753  15.163
 1162   HH11  ARG  74          HH12      ARG  74 -35.809  10.196  16.411
 1163   HH12  ARG  74          HH11      ARG  74 -36.284   8.914  17.484
 1164   HH21  ARG  74          HH22      ARG  74 -39.720   9.287  16.886
 1165   HH22  ARG  74          HH21      ARG  74 -38.511   8.405  17.771
 1166    H    ASN  75           HN       ASN  75 -35.312  12.906   9.226
 1167    HA   ASN  75           HA       ASN  75 -38.137  13.506   8.893
 1168    HB2  ASN  75           HB2      ASN  75 -37.406  14.599   6.758
 1169    HB3  ASN  75           HB3      ASN  75 -36.680  15.284   8.204
 1170   HD21  ASN  75          HD21      ASN  75 -35.836  15.274   5.370
 1171   HD22  ASN  75          HD22      ASN  75 -34.223  14.648   5.380
 1172    H    GLY  76           HN       GLY  76 -38.851  11.353   8.835
 1173    HA2  GLY  76           HA1      GLY  76 -38.332  10.035   6.246
 1174    HA3  GLY  76           HA2      GLY  76 -38.502   9.127   7.742
 1175    H    ARG  77           HN       ARG  77 -40.084   8.450   5.689
 1176    HA   ARG  77           HA       ARG  77 -42.631   9.828   5.994
 1177    HE   ARG  77           HE       ARG  77 -45.852   9.089   2.447
 1178    HB2  ARG  77           HB2      ARG  77 -41.744   8.976   3.759
 1179    HB3  ARG  77           HB3      ARG  77 -42.099   7.357   4.344
 1180    HG2  ARG  77           HG2      ARG  77 -44.446   7.916   4.558
 1181    HG3  ARG  77           HG3      ARG  77 -44.113   9.576   4.061
 1182    HD2  ARG  77           HD2      ARG  77 -43.281   8.719   1.893
 1183    HD3  ARG  77           HD3      ARG  77 -43.736   7.090   2.393
 1184   HH11  ARG  77          HH12      ARG  77 -44.267   6.541   0.644
 1185   HH12  ARG  77          HH11      ARG  77 -45.658   6.184  -0.336
 1186   HH21  ARG  77          HH22      ARG  77 -47.662   8.675   1.134
 1187   HH22  ARG  77          HH21      ARG  77 -47.602   7.416  -0.064
 1188    H    LEU  78           HN       LEU  78 -42.910   9.340   8.197
 1189    HA   LEU  78           HA       LEU  78 -43.258   6.535   8.932
 1190    HG   LEU  78           HG       LEU  78 -41.027   8.583   9.785
 1191    HB2  LEU  78           HB2      LEU  78 -43.299   9.030  10.636
 1192    HB3  LEU  78           HB3      LEU  78 -43.391   7.383  11.233
 1193   HD11  LEU  78          HD11      LEU  78 -41.441   7.913  12.694
 1194   HD12  LEU  78          HD12      LEU  78 -39.913   8.413  11.969
 1195   HD13  LEU  78          HD13      LEU  78 -41.280   9.527  12.003
 1196   HD21  LEU  78          HD21      LEU  78 -39.883   6.514  10.450
 1197   HD22  LEU  78          HD22      LEU  78 -41.401   5.892  11.094
 1198   HD23  LEU  78          HD23      LEU  78 -41.236   6.198   9.364
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  16.772   2.805  23.273
    2    H2   GLY   1           H2       GLY   1  17.947   2.188  24.326
    3    H3   GLY   1           H3       GLY   1  17.509   1.311  22.947
    4    HA2  GLY   1           HA2      GLY   1  18.877   3.945  22.967
    5    HA3  GLY   1           HA1      GLY   1  19.640   2.399  22.627
    6    HA   PRO   2           HA       PRO   2  18.810   3.248  18.353
    7    HB2  PRO   2           HB2      PRO   2  19.045   0.341  17.934
    8    HB3  PRO   2           HB3      PRO   2  20.032   1.651  17.282
    9    HG2  PRO   2           HG2      PRO   2  20.976  -0.015  19.164
   10    HG3  PRO   2           HG3      PRO   2  21.424   1.701  19.126
   11    HD2  PRO   2           HD2      PRO   2  19.425   0.303  20.865
   12    HD3  PRO   2           HD3      PRO   2  20.604   1.563  21.292
   13    H    LEU   3           HN       LEU   3  16.823   3.658  17.669
   14    HA   LEU   3           HA       LEU   3  14.598   1.985  18.415
   15    HG   LEU   3           HG       LEU   3  12.583   3.154  16.364
   16    HB2  LEU   3           HB2      LEU   3  14.430   4.450  18.373
   17    HB3  LEU   3           HB3      LEU   3  14.694   4.427  16.641
   18   HD11  LEU   3          HD11      LEU   3  12.284   3.642  19.323
   19   HD12  LEU   3          HD12      LEU   3  11.020   3.034  18.255
   20   HD13  LEU   3          HD13      LEU   3  12.476   2.078  18.533
   21   HD21  LEU   3          HD21      LEU   3  12.349   5.774  17.840
   22   HD22  LEU   3          HD22      LEU   3  12.590   5.570  16.105
   23   HD23  LEU   3          HD23      LEU   3  11.085   5.037  16.856
   24    H    GLY   4           HN       GLY   4  16.399   2.767  15.474
   25    HA2  GLY   4           HA1      GLY   4  14.698   1.347  13.685
   26    HA3  GLY   4           HA2      GLY   4  16.354   1.850  13.364
   27    H    SER   5           HN       SER   5  14.286  -0.719  14.355
   28    HA   SER   5           HA       SER   5  16.380  -2.483  15.219
   29    HG   SER   5           HG       SER   5  14.281  -5.052  14.911
   30    HB2  SER   5           HB2      SER   5  14.059  -2.575  16.125
   31    HB3  SER   5           HB3      SER   5  13.495  -3.121  14.547
   32    H    SER   6           HN       SER   6  17.743  -2.427  13.378
   33    HA   SER   6           HA       SER   6  18.668  -3.262  11.495
   34    HG   SER   6           HG       SER   6  18.096  -6.300  13.349
   35    HB2  SER   6           HB2      SER   6  16.686  -5.505  11.933
   36    HB3  SER   6           HB3      SER   6  18.154  -5.587  10.956
   37    H    ALA   7           HN       ALA   7  17.672  -1.413  10.374
   38    HA   ALA   7           HA       ALA   7  15.303  -1.720   8.841
   39    HB1  ALA   7           HB1      ALA   7  15.973   0.320   7.714
   40    HB2  ALA   7           HB2      ALA   7  16.231   0.470   9.453
   41    HB3  ALA   7           HB3      ALA   7  17.599   0.178   8.382
   42    H    GLY   8           HN       GLY   8  18.726  -2.222   8.149
   43    HA2  GLY   8           HA1      GLY   8  18.553  -2.795   5.418
   44    HA3  GLY   8           HA2      GLY   8  19.773  -3.427   6.515
   45    H    ALA   9           HN       ALA   9  18.038  -4.856   8.241
   46    HA   ALA   9           HA       ALA   9  17.716  -7.283   6.832
   47    HB1  ALA   9           HB1      ALA   9  16.551  -6.465   9.490
   48    HB2  ALA   9           HB2      ALA   9  16.646  -8.113   8.868
   49    HB3  ALA   9           HB3      ALA   9  18.124  -7.223   9.234
   50    H    LEU  10           HN       LEU  10  15.416  -4.816   7.890
   51    HA   LEU  10           HA       LEU  10  13.077  -6.048   6.950
   52    HG   LEU  10           HG       LEU  10  11.825  -3.376   5.771
   53    HB2  LEU  10           HB2      LEU  10  12.966  -4.188   8.444
   54    HB3  LEU  10           HB3      LEU  10  13.802  -3.144   7.309
   55   HD11  LEU  10          HD11      LEU  10  10.559  -4.629   8.199
   56   HD12  LEU  10          HD12      LEU  10   9.720  -4.143   6.726
   57   HD13  LEU  10          HD13      LEU  10  10.913  -5.439   6.673
   58   HD21  LEU  10          HD21      LEU  10  11.362  -2.190   8.502
   59   HD22  LEU  10          HD22      LEU  10  12.107  -1.393   7.117
   60   HD23  LEU  10          HD23      LEU  10  10.401  -1.839   7.065
   61    H    LEU  11           HN       LEU  11  15.251  -3.730   5.431
   62    HA   LEU  11           HA       LEU  11  14.021  -3.582   2.927
   63    HG   LEU  11           HG       LEU  11  16.888  -1.491   1.855
   64    HB2  LEU  11           HB2      LEU  11  15.798  -2.076   3.809
   65    HB3  LEU  11           HB3      LEU  11  16.962  -3.363   3.602
   66   HD11  LEU  11          HD11      LEU  11  16.743  -4.360   0.964
   67   HD12  LEU  11          HD12      LEU  11  17.455  -3.028   0.053
   68   HD13  LEU  11          HD13      LEU  11  18.172  -3.531   1.585
   69   HD21  LEU  11          HD21      LEU  11  14.495  -3.092   0.962
   70   HD22  LEU  11          HD22      LEU  11  14.486  -1.420   1.522
   71   HD23  LEU  11          HD23      LEU  11  15.303  -1.842   0.017
   72    H    ALA  12           HN       ALA  12  16.564  -5.759   4.120
   73    HA   ALA  12           HA       ALA  12  17.095  -7.084   1.720
   74    HB1  ALA  12           HB1      ALA  12  18.133  -8.807   3.081
   75    HB2  ALA  12           HB2      ALA  12  18.544  -7.202   3.687
   76    HB3  ALA  12           HB3      ALA  12  17.330  -8.176   4.518
   77    H    HIS  13           HN       HIS  13  14.873  -8.059   4.365
   78    HA   HIS  13           HA       HIS  13  14.124 -10.445   3.005
   79    HD1  HIS  13           HD1      HIS  13  10.388 -10.186   4.732
   80    HD2  HIS  13           HD2      HIS  13  12.985  -7.441   6.457
   81    HE1  HIS  13           HE1      HIS  13   8.932  -8.420   5.752
   82    HE2  HIS  13           HE2      HIS  13  10.515  -6.937   7.016
   83    HB2  HIS  13           HB2      HIS  13  12.814 -10.957   4.833
   84    HB3  HIS  13           HB3      HIS  13  13.997  -9.875   5.554
   85    H    ALA  14           HN       ALA  14  12.973  -7.171   2.961
   86    HA   ALA  14           HA       ALA  14  10.511  -7.736   1.620
   87    HB1  ALA  14           HB1      ALA  14  10.860  -5.651   2.866
   88    HB2  ALA  14           HB2      ALA  14  12.092  -5.168   1.700
   89    HB3  ALA  14           HB3      ALA  14  10.413  -5.344   1.187
   90    H    ALA  15           HN       ALA  15  13.804  -6.977   0.638
   91    HA   ALA  15           HA       ALA  15  13.297  -6.676  -2.127
   92    HB1  ALA  15           HB1      ALA  15  15.708  -6.906  -2.403
   93    HB2  ALA  15           HB2      ALA  15  15.327  -5.837  -1.053
   94    HB3  ALA  15           HB3      ALA  15  15.850  -7.494  -0.745
   95    H    SER  16           HN       SER  16  14.154  -9.460  -0.125
   96    HA   SER  16           HA       SER  16  14.522 -11.265  -2.266
   97    HG   SER  16           HG       SER  16  12.941 -11.150   0.786
   98    HB2  SER  16           HB2      SER  16  14.199 -13.032  -0.500
   99    HB3  SER  16           HB3      SER  16  15.430 -11.831  -0.130
  100    H    LEU  17           HN       LEU  17  11.681  -9.985  -0.807
  101    HA   LEU  17           HA       LEU  17   9.995 -12.060  -2.004
  102    HG   LEU  17           HG       LEU  17  10.556 -11.415   0.979
  103    HB2  LEU  17           HB2      LEU  17   9.251  -9.702  -0.271
  104    HB3  LEU  17           HB3      LEU  17   8.159 -10.971  -0.800
  105   HD11  LEU  17          HD11      LEU  17   8.851 -10.043   2.069
  106   HD12  LEU  17          HD12      LEU  17   7.636 -11.267   1.695
  107   HD13  LEU  17          HD13      LEU  17   8.966 -11.649   2.789
  108   HD21  LEU  17          HD21      LEU  17   8.258 -13.222   0.244
  109   HD22  LEU  17          HD22      LEU  17   9.919 -13.375  -0.331
  110   HD23  LEU  17          HD23      LEU  17   9.552 -13.599   1.380
  111    H    GLY  18           HN       GLY  18  11.045  -8.810  -2.433
  112    HA2  GLY  18           HA1      GLY  18  10.878  -7.520  -4.348
  113    HA3  GLY  18           HA2      GLY  18   9.765  -8.697  -5.016
  114    H    VAL  19           HN       VAL  19   9.415  -7.095  -1.895
  115    HA   VAL  19           HA       VAL  19   6.823  -6.065  -2.616
  116    HB   VAL  19           HB       VAL  19   8.506  -5.516  -0.157
  117   HG11  VAL  19          HG11      VAL  19   6.422  -4.699   0.848
  118   HG12  VAL  19          HG12      VAL  19   6.907  -3.724  -0.541
  119   HG13  VAL  19          HG13      VAL  19   5.605  -4.904  -0.702
  120   HG21  VAL  19          HG21      VAL  19   7.895  -7.842  -0.274
  121   HG22  VAL  19          HG22      VAL  19   6.907  -7.044   0.956
  122   HG23  VAL  19          HG23      VAL  19   6.218  -7.416  -0.626
  123    H    ARG  20           HN       ARG  20   6.452  -4.197  -3.626
  124    HA   ARG  20           HA       ARG  20   8.714  -2.305  -3.849
  125    HE   ARG  20           HE       ARG  20   8.162  -6.565  -6.719
  126    HB2  ARG  20           HB2      ARG  20   6.631  -2.807  -5.977
  127    HB3  ARG  20           HB3      ARG  20   8.190  -2.004  -6.146
  128    HG2  ARG  20           HG2      ARG  20   9.368  -3.984  -6.121
  129    HG3  ARG  20           HG3      ARG  20   8.076  -4.862  -5.302
  130    HD2  ARG  20           HD2      ARG  20   6.730  -4.404  -7.473
  131    HD3  ARG  20           HD3      ARG  20   8.317  -4.099  -8.187
  132   HH11  ARG  20          HH12      ARG  20   7.565  -5.055  -9.825
  133   HH12  ARG  20          HH11      ARG  20   7.747  -6.539 -10.721
  134   HH21  ARG  20          HH22      ARG  20   8.355  -8.517  -7.885
  135   HH22  ARG  20          HH21      ARG  20   8.183  -8.516  -9.613
  136    H    LEU  21           HN       LEU  21   8.265  -0.285  -3.224
  137    HA   LEU  21           HA       LEU  21   5.528   0.734  -3.526
  138    HG   LEU  21           HG       LEU  21   4.661  -0.179  -1.431
  139    HB2  LEU  21           HB2      LEU  21   7.333   1.139  -1.141
  140    HB3  LEU  21           HB3      LEU  21   5.914   2.115  -1.454
  141   HD11  LEU  21          HD11      LEU  21   7.109  -0.826   0.197
  142   HD12  LEU  21          HD12      LEU  21   5.645  -1.803   0.082
  143   HD13  LEU  21          HD13      LEU  21   6.665  -1.571  -1.339
  144   HD21  LEU  21          HD21      LEU  21   4.314   0.055   0.975
  145   HD22  LEU  21          HD22      LEU  21   5.725   1.110   1.074
  146   HD23  LEU  21          HD23      LEU  21   4.304   1.619   0.162
  147    H    TRP  22           HN       TRP  22   5.492   2.490  -4.750
  148    HA   TRP  22           HA       TRP  22   7.766   4.318  -4.664
  149    HD1  TRP  22           HD1      TRP  22   6.093   4.990  -8.771
  150    HE1  TRP  22           HE1      TRP  22   4.321   3.604 -10.020
  151    HE3  TRP  22           HE3      TRP  22   6.597   0.576  -6.240
  152    HZ2  TRP  22           HZ2      TRP  22   3.265   0.992  -9.927
  153    HZ3  TRP  22           HZ3      TRP  22   5.167  -1.319  -6.886
  154    HH2  TRP  22           HH2      TRP  22   3.539  -1.120  -8.693
  155    HB2  TRP  22           HB2      TRP  22   7.977   4.431  -7.072
  156    HB3  TRP  22           HB3      TRP  22   8.158   2.755  -6.571
  157    H    VAL  23           HN       VAL  23   7.210   6.457  -5.030
  158    HA   VAL  23           HA       VAL  23   4.386   7.029  -4.886
  159    HB   VAL  23           HB       VAL  23   5.885   8.358  -3.509
  160   HG11  VAL  23          HG11      VAL  23   7.085   9.329  -6.101
  161   HG12  VAL  23          HG12      VAL  23   7.449   9.967  -4.496
  162   HG13  VAL  23          HG13      VAL  23   7.877   8.306  -4.902
  163   HG21  VAL  23          HG21      VAL  23   5.110  10.601  -4.128
  164   HG22  VAL  23          HG22      VAL  23   4.618   9.987  -5.706
  165   HG23  VAL  23          HG23      VAL  23   3.822   9.402  -4.245
  166    H    GLU  24           HN       GLU  24   3.100   7.648  -6.504
  167    HA   GLU  24           HA       GLU  24   4.322   8.418  -9.064
  168    HB2  GLU  24           HB2      GLU  24   3.903   6.019  -9.213
  169    HB3  GLU  24           HB3      GLU  24   2.248   6.254  -8.689
  170    HG2  GLU  24           HG2      GLU  24   2.302   5.873 -11.052
  171    HG3  GLU  24           HG3      GLU  24   1.795   7.529 -10.730
  172    H    GLY  25           HN       GLY  25   3.446  10.254  -9.709
  173    HA2  GLY  25           HA1      GLY  25   1.919  11.937 -10.037
  174    HA3  GLY  25           HA2      GLY  25   0.654  10.776  -9.661
  175    H    GLU  26           HN       GLU  26  -0.365  10.916  -7.753
  176    HA   GLU  26           HA       GLU  26   0.769  12.768  -5.770
  177    HB2  GLU  26           HB2      GLU  26  -1.747  12.947  -5.078
  178    HB3  GLU  26           HB3      GLU  26  -1.121  13.890  -6.422
  179    HG2  GLU  26           HG2      GLU  26  -3.266  12.935  -6.981
  180    HG3  GLU  26           HG3      GLU  26  -2.002  12.240  -7.988
  181    H    ARG  27           HN       ARG  27   0.316   9.574  -6.295
  182    HA   ARG  27           HA       ARG  27  -0.325   9.051  -3.471
  183    HE   ARG  27           HE       ARG  27  -3.247   9.416  -4.088
  184    HB2  ARG  27           HB2      ARG  27  -2.189   8.627  -5.256
  185    HB3  ARG  27           HB3      ARG  27  -1.250   7.184  -5.615
  186    HG2  ARG  27           HG2      ARG  27  -3.061   6.733  -4.037
  187    HG3  ARG  27           HG3      ARG  27  -1.472   6.432  -3.318
  188    HD2  ARG  27           HD2      ARG  27  -3.096   7.690  -1.860
  189    HD3  ARG  27           HD3      ARG  27  -1.529   8.466  -2.117
  190   HH11  ARG  27          HH12      ARG  27  -3.062   9.543  -0.588
  191   HH12  ARG  27          HH11      ARG  27  -3.766  11.130  -0.489
  192   HH21  ARG  27          HH22      ARG  27  -4.150  11.454  -3.967
  193   HH22  ARG  27          HH21      ARG  27  -4.400  12.210  -2.417
  194    H    LEU  28           HN       LEU  28   0.558   7.244  -2.545
  195    HA   LEU  28           HA       LEU  28   2.956   6.168  -3.675
  196    HG   LEU  28           HG       LEU  28   3.627   4.713  -0.291
  197    HB2  LEU  28           HB2      LEU  28   2.504   6.568  -1.225
  198    HB3  LEU  28           HB3      LEU  28   1.382   5.227  -1.268
  199   HD11  LEU  28          HD11      LEU  28   3.924   2.575  -1.423
  200   HD12  LEU  28          HD12      LEU  28   2.228   2.916  -1.087
  201   HD13  LEU  28          HD13      LEU  28   2.861   3.123  -2.719
  202   HD21  LEU  28          HD21      LEU  28   4.563   5.031  -3.130
  203   HD22  LEU  28          HD22      LEU  28   4.993   6.065  -1.766
  204   HD23  LEU  28          HD23      LEU  28   5.512   4.381  -1.792
  205    H    ARG  29           HN       ARG  29   3.047   4.531  -5.057
  206    HA   ARG  29           HA       ARG  29   0.664   2.866  -5.429
  207    HE   ARG  29           HE       ARG  29  -1.555   4.237  -8.646
  208    HB2  ARG  29           HB2      ARG  29   2.740   3.893  -7.220
  209    HB3  ARG  29           HB3      ARG  29   2.429   2.178  -7.441
  210    HG2  ARG  29           HG2      ARG  29   1.085   3.517  -8.955
  211    HG3  ARG  29           HG3      ARG  29   0.065   2.645  -7.814
  212    HD2  ARG  29           HD2      ARG  29  -0.083   4.704  -6.450
  213    HD3  ARG  29           HD3      ARG  29   0.827   5.559  -7.687
  214   HH11  ARG  29          HH12      ARG  29  -0.199   7.243  -7.430
  215   HH12  ARG  29          HH11      ARG  29  -1.548   8.202  -7.950
  216   HH21  ARG  29          HH22      ARG  29  -3.305   5.516  -9.342
  217   HH22  ARG  29          HH21      ARG  29  -3.300   7.226  -9.041
  218    H    PHE  30           HN       PHE  30   0.687   0.744  -5.006
  219    HA   PHE  30           HA       PHE  30   3.093  -0.273  -3.648
  220    HD1  PHE  30           HD1      PHE  30   2.678  -3.055  -2.639
  221    HD2  PHE  30           HD2      PHE  30   1.086   0.185  -0.385
  222    HE1  PHE  30           HE1      PHE  30   3.694  -3.973  -0.605
  223    HE2  PHE  30           HE2      PHE  30   2.103  -0.727   1.650
  224    HZ   PHE  30           HZ       PHE  30   3.412  -2.813   1.550
  225    HB2  PHE  30           HB2      PHE  30   0.637   0.094  -2.602
  226    HB3  PHE  30           HB3      PHE  30   0.427  -1.530  -3.237
  227    H    GLN  31           HN       GLN  31   3.697  -2.464  -3.988
  228    HA   GLN  31           HA       GLN  31   2.122  -4.129  -5.757
  229    HB2  GLN  31           HB2      GLN  31   3.636  -2.874  -7.288
  230    HB3  GLN  31           HB3      GLN  31   5.012  -3.524  -6.408
  231    HG2  GLN  31           HG2      GLN  31   4.574  -4.737  -8.493
  232    HG3  GLN  31           HG3      GLN  31   4.435  -5.773  -7.072
  233   HE21  GLN  31          HE21      GLN  31   2.439  -6.622  -6.521
  234   HE22  GLN  31          HE22      GLN  31   1.060  -6.520  -7.553
  235    H    ALA  32           HN       ALA  32   1.910  -5.853  -4.511
  236    HA   ALA  32           HA       ALA  32   4.320  -7.021  -3.277
  237    HB1  ALA  32           HB1      ALA  32   1.593  -6.852  -2.008
  238    HB2  ALA  32           HB2      ALA  32   3.029  -7.607  -1.317
  239    HB3  ALA  32           HB3      ALA  32   2.988  -5.863  -1.576
  240    HA   PRO  33           HA       PRO  33   2.911 -10.744  -5.343
  241    HB2  PRO  33           HB2      PRO  33   4.611 -12.029  -3.284
  242    HB3  PRO  33           HB3      PRO  33   4.675 -12.174  -5.042
  243    HG2  PRO  33           HG2      PRO  33   6.526 -10.787  -3.715
  244    HG3  PRO  33           HG3      PRO  33   5.922 -10.237  -5.290
  245    HD2  PRO  33           HD2      PRO  33   5.223  -9.268  -2.549
  246    HD3  PRO  33           HD3      PRO  33   5.502  -8.335  -4.029
  247    HA   PRO  34           HA       PRO  34  -0.335 -12.140  -2.741
  248    HB2  PRO  34           HB2      PRO  34  -0.503 -14.780  -3.485
  249    HB3  PRO  34           HB3      PRO  34  -1.177 -13.437  -4.414
  250    HG2  PRO  34           HG2      PRO  34   1.370 -14.943  -4.822
  251    HG3  PRO  34           HG3      PRO  34   0.233 -14.307  -6.024
  252    HD2  PRO  34           HD2      PRO  34   2.577 -13.092  -5.437
  253    HD3  PRO  34           HD3      PRO  34   1.135 -12.189  -5.939
  254    H    GLY  35           HN       GLY  35  -0.139 -12.414  -0.628
  255    HA2  GLY  35           HA1      GLY  35  -0.129 -14.074   1.126
  256    HA3  GLY  35           HA2      GLY  35   1.227 -14.842   0.320
  257    H    VAL  36           HN       VAL  36   2.704 -12.380  -0.125
  258    HA   VAL  36           HA       VAL  36   4.178 -12.513   2.309
  259    HB   VAL  36           HB       VAL  36   5.704 -10.890   1.287
  260   HG11  VAL  36          HG11      VAL  36   5.831 -13.284   0.720
  261   HG12  VAL  36          HG12      VAL  36   4.795 -12.991  -0.675
  262   HG13  VAL  36          HG13      VAL  36   6.394 -12.250  -0.596
  263   HG21  VAL  36          HG21      VAL  36   3.687 -10.749  -0.944
  264   HG22  VAL  36          HG22      VAL  36   4.071  -9.458   0.195
  265   HG23  VAL  36          HG23      VAL  36   5.293 -10.019  -0.943
  266    H    MET  37           HN       MET  37   1.644 -10.485   1.288
  267    HA   MET  37           HA       MET  37   2.491  -8.167   2.779
  268    HB2  MET  37           HB2      MET  37   1.262  -8.061   0.578
  269    HB3  MET  37           HB3      MET  37  -0.179  -8.588   1.441
  270    HG2  MET  37           HG2      MET  37   0.174  -6.073   1.030
  271    HG3  MET  37           HG3      MET  37  -0.358  -6.609   2.622
  272    HE1  MET  37           HE1      MET  37   3.276  -6.976   1.159
  273    HE2  MET  37           HE2      MET  37   2.776  -5.417   0.501
  274    HE3  MET  37           HE3      MET  37   4.043  -5.489   1.724
  275    H    THR  38           HN       THR  38   1.933 -10.717   4.175
  276    HA   THR  38           HA       THR  38  -0.426 -10.788   5.618
  277    HB   THR  38           HB       THR  38   1.082 -11.734   7.485
  278    HG1  THR  38           HG1      THR  38   2.927 -10.597   6.013
  279   HG21  THR  38          HG21      THR  38   1.191 -12.963   4.733
  280   HG22  THR  38          HG22      THR  38  -0.132 -13.134   5.886
  281   HG23  THR  38          HG23      THR  38   1.454 -13.815   6.254
  282    HA   PRO  39           HA       PRO  39  -0.897  -7.104   7.917
  283    HB2  PRO  39           HB2      PRO  39  -1.286  -8.905  10.276
  284    HB3  PRO  39           HB3      PRO  39  -2.274  -7.547   9.723
  285    HG2  PRO  39           HG2      PRO  39  -3.034 -10.047   9.246
  286    HG3  PRO  39           HG3      PRO  39  -3.257  -8.782   8.023
  287    HD2  PRO  39           HD2      PRO  39  -1.276 -11.003   8.115
  288    HD3  PRO  39           HD3      PRO  39  -2.034 -10.220   6.715
  289    H    GLU  40           HN       GLU  40   1.054  -9.574   9.610
  290    HA   GLU  40           HA       GLU  40   2.377  -7.781  11.320
  291    HB2  GLU  40           HB2      GLU  40   4.081  -9.548  11.590
  292    HB3  GLU  40           HB3      GLU  40   2.444 -10.162  11.758
  293    HG2  GLU  40           HG2      GLU  40   2.519 -11.168   9.603
  294    HG3  GLU  40           HG3      GLU  40   4.050 -10.376   9.228
  295    H    LEU  41           HN       LEU  41   3.207  -8.965   8.090
  296    HA   LEU  41           HA       LEU  41   5.726  -7.676   7.950
  297    HG   LEU  41           HG       LEU  41   6.658  -7.449   5.757
  298    HB2  LEU  41           HB2      LEU  41   5.008  -9.568   6.485
  299    HB3  LEU  41           HB3      LEU  41   3.922  -8.444   5.674
  300   HD11  LEU  41          HD11      LEU  41   7.209  -9.817   5.680
  301   HD12  LEU  41          HD12      LEU  41   6.137 -10.030   4.295
  302   HD13  LEU  41          HD13      LEU  41   7.580  -9.027   4.147
  303   HD21  LEU  41          HD21      LEU  41   4.869  -6.528   4.370
  304   HD22  LEU  41          HD22      LEU  41   6.217  -7.099   3.385
  305   HD23  LEU  41          HD23      LEU  41   4.745  -8.061   3.506
  306    H    GLN  42           HN       GLN  42   2.508  -6.913   6.821
  307    HA   GLN  42           HA       GLN  42   2.999  -4.548   5.463
  308    HB2  GLN  42           HB2      GLN  42   0.870  -5.662   5.330
  309    HB3  GLN  42           HB3      GLN  42   0.608  -5.471   7.058
  310    HG2  GLN  42           HG2      GLN  42  -0.751  -3.892   5.945
  311    HG3  GLN  42           HG3      GLN  42   0.577  -3.025   6.711
  312   HE21  GLN  42          HE21      GLN  42   2.183  -2.096   5.430
  313   HE22  GLN  42          HE22      GLN  42   1.959  -1.838   3.735
  314    H    SER  43           HN       SER  43   2.376  -5.110   8.901
  315    HA   SER  43           HA       SER  43   2.444  -2.349   9.603
  316    HG   SER  43           HG       SER  43   3.166  -2.299  11.961
  317    HB2  SER  43           HB2      SER  43   1.278  -4.059  10.968
  318    HB3  SER  43           HB3      SER  43   2.838  -4.768  11.383
  319    H    ARG  44           HN       ARG  44   4.877  -4.849   9.228
  320    HA   ARG  44           HA       ARG  44   6.863  -3.438  10.747
  321    HE   ARG  44           HE       ARG  44   9.527  -6.202  11.309
  322    HB2  ARG  44           HB2      ARG  44   7.101  -5.767   8.845
  323    HB3  ARG  44           HB3      ARG  44   8.450  -5.104   9.758
  324    HG2  ARG  44           HG2      ARG  44   7.194  -5.583  11.847
  325    HG3  ARG  44           HG3      ARG  44   5.968  -6.390  10.869
  326    HD2  ARG  44           HD2      ARG  44   7.452  -8.053  11.739
  327    HD3  ARG  44           HD3      ARG  44   7.736  -7.902  10.006
  328   HH11  ARG  44          HH12      ARG  44   8.878  -9.625  10.990
  329   HH12  ARG  44          HH11      ARG  44  10.522 -10.099  11.305
  330   HH21  ARG  44          HH22      ARG  44  11.698  -6.819  11.715
  331   HH22  ARG  44          HH21      ARG  44  12.134  -8.499  11.677
  332    H    LEU  45           HN       LEU  45   5.867  -3.531   7.401
  333    HA   LEU  45           HA       LEU  45   8.021  -2.116   6.279
  334    HG   LEU  45           HG       LEU  45   6.355  -4.282   5.197
  335    HB2  LEU  45           HB2      LEU  45   5.079  -2.114   5.577
  336    HB3  LEU  45           HB3      LEU  45   6.305  -1.323   4.607
  337   HD11  LEU  45          HD11      LEU  45   5.172  -2.844   2.823
  338   HD12  LEU  45          HD12      LEU  45   5.446  -4.585   2.927
  339   HD13  LEU  45          HD13      LEU  45   4.294  -3.804   4.014
  340   HD21  LEU  45          HD21      LEU  45   7.687  -2.614   3.068
  341   HD22  LEU  45          HD22      LEU  45   8.475  -3.249   4.515
  342   HD23  LEU  45          HD23      LEU  45   7.854  -4.356   3.289
  343    H    GLY  46           HN       GLY  46   5.006  -1.002   7.773
  344    HA2  GLY  46           HA1      GLY  46   4.766   0.757   9.263
  345    HA3  GLY  46           HA2      GLY  46   6.418   1.242   8.921
  346    H    GLY  47           HN       GLY  47   5.725   1.163   5.976
  347    HA2  GLY  47           HA1      GLY  47   5.006   2.630   4.361
  348    HA3  GLY  47           HA2      GLY  47   3.766   3.153   5.491
  349    H    ALA  48           HN       ALA  48   7.028   3.356   6.584
  350    HA   ALA  48           HA       ALA  48   6.784   6.170   6.951
  351    HB1  ALA  48           HB1      ALA  48   9.164   4.356   7.341
  352    HB2  ALA  48           HB2      ALA  48   9.028   6.016   7.920
  353    HB3  ALA  48           HB3      ALA  48   7.963   4.766   8.566
  354    H    ARG  49           HN       ARG  49   8.091   7.796   6.020
  355    HA   ARG  49           HA       ARG  49   8.236   7.486   3.207
  356    HE   ARG  49           HE       ARG  49  10.812  11.809   6.529
  357    HB2  ARG  49           HB2      ARG  49   9.019   9.805   3.198
  358    HB3  ARG  49           HB3      ARG  49   7.607   9.597   4.224
  359    HG2  ARG  49           HG2      ARG  49   9.121   9.494   6.191
  360    HG3  ARG  49           HG3      ARG  49  10.465   9.874   5.107
  361    HD2  ARG  49           HD2      ARG  49   9.274  11.935   4.420
  362    HD3  ARG  49           HD3      ARG  49   8.052  11.570   5.625
  363   HH11  ARG  49          HH12      ARG  49   7.598  13.199   6.350
  364   HH12  ARG  49          HH11      ARG  49   7.924  14.418   7.538
  365   HH21  ARG  49          HH22      ARG  49  11.238  13.427   8.072
  366   HH22  ARG  49          HH21      ARG  49   9.991  14.557   8.509
  367    H    HIS  50           HN       HIS  50  10.763   8.024   5.656
  368    HA   HIS  50           HA       HIS  50  12.910   8.060   3.882
  369    HD1  HIS  50           HD1      HIS  50  13.195   5.232   7.220
  370    HD2  HIS  50           HD2      HIS  50  11.583   8.963   8.113
  371    HE1  HIS  50           HE1      HIS  50  11.755   4.893   9.234
  372    HE2  HIS  50           HE2      HIS  50  10.959   7.188   9.884
  373    HB2  HIS  50           HB2      HIS  50  14.284   7.343   5.939
  374    HB3  HIS  50           HB3      HIS  50  13.383   8.849   6.057
  375    H    GLU  51           HN       GLU  51  11.212   5.472   5.439
  376    HA   GLU  51           HA       GLU  51  13.060   3.395   4.862
  377    HB2  GLU  51           HB2      GLU  51  10.766   3.694   6.410
  378    HB3  GLU  51           HB3      GLU  51  10.295   2.552   5.159
  379    HG2  GLU  51           HG2      GLU  51  11.245   1.587   7.283
  380    HG3  GLU  51           HG3      GLU  51  11.941   1.027   5.757
  381    H    LEU  52           HN       LEU  52  10.094   4.588   3.372
  382    HA   LEU  52           HA       LEU  52  10.061   2.617   1.335
  383    HG   LEU  52           HG       LEU  52   7.806   3.947   3.172
  384    HB2  LEU  52           HB2      LEU  52   8.723   5.321   1.418
  385    HB3  LEU  52           HB3      LEU  52   8.401   4.083   0.219
  386   HD11  LEU  52          HD11      LEU  52   6.008   3.917   0.757
  387   HD12  LEU  52          HD12      LEU  52   5.493   3.779   2.436
  388   HD13  LEU  52          HD13      LEU  52   6.237   5.274   1.862
  389   HD21  LEU  52          HD21      LEU  52   6.888   1.736   2.759
  390   HD22  LEU  52          HD22      LEU  52   7.400   1.819   1.073
  391   HD23  LEU  52          HD23      LEU  52   8.605   1.776   2.360
  392    H    ILE  53           HN       ILE  53  11.661   5.689   1.678
  393    HA   ILE  53           HA       ILE  53  12.375   6.133  -0.998
  394    HB   ILE  53           HB       ILE  53  13.901   6.766   1.534
  395   HG12  ILE  53          HG12      ILE  53  12.255   8.526  -0.300
  396   HG13  ILE  53          HG13      ILE  53  11.709   7.898   1.251
  397   HG21  ILE  53          HG21      ILE  53  14.447   7.685  -1.287
  398   HG22  ILE  53          HG22      ILE  53  15.233   8.315   0.162
  399   HG23  ILE  53          HG23      ILE  53  15.465   6.631  -0.307
  400   HD11  ILE  53          HD11      ILE  53  13.503   9.148   2.366
  401   HD12  ILE  53          HD12      ILE  53  13.996   9.806   0.805
  402   HD13  ILE  53          HD13      ILE  53  12.409  10.198   1.467
  403    H    ALA  54           HN       ALA  54  14.078   4.336   1.561
  404    HA   ALA  54           HA       ALA  54  16.113   3.329  -0.145
  405    HB1  ALA  54           HB1      ALA  54  15.100   2.243   2.483
  406    HB2  ALA  54           HB2      ALA  54  16.604   1.777   1.687
  407    HB3  ALA  54           HB3      ALA  54  16.391   3.425   2.276
  408    H    LEU  55           HN       LEU  55  12.892   2.319   0.612
  409    HA   LEU  55           HA       LEU  55  13.118  -0.397  -0.214
  410    HG   LEU  55           HG       LEU  55   9.597  -0.820   0.922
  411    HB2  LEU  55           HB2      LEU  55  11.406   0.639   1.367
  412    HB3  LEU  55           HB3      LEU  55  10.602   1.258  -0.058
  413   HD11  LEU  55          HD11      LEU  55  10.591  -1.054  -1.908
  414   HD12  LEU  55          HD12      LEU  55   9.239  -1.946  -1.208
  415   HD13  LEU  55          HD13      LEU  55   9.144  -0.193  -1.382
  416   HD21  LEU  55          HD21      LEU  55  10.702  -2.957   0.468
  417   HD22  LEU  55          HD22      LEU  55  12.123  -2.088  -0.111
  418   HD23  LEU  55          HD23      LEU  55  11.636  -1.950   1.576
  419    H    LEU  56           HN       LEU  56  12.055   2.597  -1.736
  420    HA   LEU  56           HA       LEU  56  11.274   1.323  -4.165
  421    HG   LEU  56           HG       LEU  56  12.543   4.395  -5.120
  422    HB2  LEU  56           HB2      LEU  56  10.071   3.221  -3.916
  423    HB3  LEU  56           HB3      LEU  56  11.325   4.017  -2.990
  424   HD11  LEU  56          HD11      LEU  56  11.425   2.669  -6.475
  425   HD12  LEU  56          HD12      LEU  56   9.909   3.560  -6.348
  426   HD13  LEU  56          HD13      LEU  56  11.274   4.262  -7.216
  427   HD21  LEU  56          HD21      LEU  56  11.101   6.282  -5.787
  428   HD22  LEU  56          HD22      LEU  56   9.798   5.597  -4.814
  429   HD23  LEU  56          HD23      LEU  56  11.281   6.151  -4.037
  430    H    ARG  57           HN       ARG  57  14.120   2.876  -2.865
  431    HA   ARG  57           HA       ARG  57  15.570   3.198  -5.241
  432    HE   ARG  57           HE       ARG  57  18.694   2.506  -1.648
  433    HB2  ARG  57           HB2      ARG  57  16.192   4.161  -3.019
  434    HB3  ARG  57           HB3      ARG  57  16.678   2.552  -2.503
  435    HG2  ARG  57           HG2      ARG  57  18.407   2.490  -4.174
  436    HG3  ARG  57           HG3      ARG  57  17.881   4.042  -4.826
  437    HD2  ARG  57           HD2      ARG  57  19.781   4.446  -3.454
  438    HD3  ARG  57           HD3      ARG  57  18.367   5.046  -2.592
  439   HH11  ARG  57          HH12      ARG  57  20.716   5.341  -1.858
  440   HH12  ARG  57          HH11      ARG  57  21.684   4.931  -0.474
  441   HH21  ARG  57          HH22      ARG  57  19.928   1.953   0.187
  442   HH22  ARG  57          HH21      ARG  57  21.228   2.987   0.707
  443    H    GLN  58           HN       GLN  58  15.016   0.423  -3.199
  444    HA   GLN  58           HA       GLN  58  16.946  -1.310  -4.275
  445    HB2  GLN  58           HB2      GLN  58  15.956  -2.908  -2.996
  446    HB3  GLN  58           HB3      GLN  58  15.104  -1.534  -2.308
  447    HG2  GLN  58           HG2      GLN  58  13.267  -1.941  -3.922
  448    HG3  GLN  58           HG3      GLN  58  14.104  -3.408  -4.431
  449   HE21  GLN  58          HE21      GLN  58  11.485  -3.143  -3.231
  450   HE22  GLN  58          HE22      GLN  58  11.520  -4.061  -1.770
  451    H    LEU  59           HN       LEU  59  13.892  -0.204  -5.508
  452    HA   LEU  59           HA       LEU  59  13.745  -2.270  -7.551
  453    HG   LEU  59           HG       LEU  59  11.620  -1.046  -9.283
  454    HB2  LEU  59           HB2      LEU  59  11.738  -1.444  -6.293
  455    HB3  LEU  59           HB3      LEU  59  11.942   0.105  -7.088
  456   HD11  LEU  59          HD11      LEU  59  10.629  -3.274  -9.292
  457   HD12  LEU  59          HD12      LEU  59  12.254  -3.298  -8.607
  458   HD13  LEU  59          HD13      LEU  59  10.848  -3.382  -7.545
  459   HD21  LEU  59          HD21      LEU  59   9.791   0.144  -8.205
  460   HD22  LEU  59          HD22      LEU  59   9.198  -1.291  -9.040
  461   HD23  LEU  59          HD23      LEU  59   9.377  -1.304  -7.285
  462    H    GLN  60           HN       GLN  60  15.392   0.542  -7.181
  463    HA   GLN  60           HA       GLN  60  15.245   1.212 -10.039
  464    HB2  GLN  60           HB2      GLN  60  15.945   2.943  -7.672
  465    HB3  GLN  60           HB3      GLN  60  16.161   3.449  -9.344
  466    HG2  GLN  60           HG2      GLN  60  13.747   3.166  -9.717
  467    HG3  GLN  60           HG3      GLN  60  13.549   2.728  -8.024
  468   HE21  GLN  60          HE21      GLN  60  15.460   4.701  -7.052
  469   HE22  GLN  60          HE22      GLN  60  14.694   6.233  -7.219
  470    HA   PRO  61           HA       PRO  61  19.520  -0.148 -10.136
  471    HB2  PRO  61           HB2      PRO  61  19.587   0.932 -12.845
  472    HB3  PRO  61           HB3      PRO  61  19.706  -0.746 -12.311
  473    HG2  PRO  61           HG2      PRO  61  17.552   0.215 -13.644
  474    HG3  PRO  61           HG3      PRO  61  17.438  -1.089 -12.448
  475    HD2  PRO  61           HD2      PRO  61  16.809   1.824 -12.146
  476    HD3  PRO  61           HD3      PRO  61  15.921   0.407 -11.542
  477    H    SER  62           HN       SER  62  18.286   2.984 -10.414
  478    HA   SER  62           HA       SER  62  20.910   4.228 -10.722
  479    HG   SER  62           HG       SER  62  20.698   6.487 -11.497
  480    HB2  SER  62           HB2      SER  62  18.948   5.074 -12.043
  481    HB3  SER  62           HB3      SER  62  18.189   5.549 -10.525
  482    H    SER  63           HN       SER  63  21.694   5.717  -9.186
  483    HA   SER  63           HA       SER  63  22.179   6.537  -7.143
  484    HG   SER  63           HG       SER  63  20.500   7.851  -8.041
  485    HB2  SER  63           HB2      SER  63  19.282   5.961  -6.498
  486    HB3  SER  63           HB3      SER  63  20.365   6.989  -5.560
  487    H    GLN  64           HN       GLN  64  23.589   4.754  -6.851
  488    HA   GLN  64           HA       GLN  64  22.627   2.695  -4.997
  489    HB2  GLN  64           HB2      GLN  64  24.854   2.874  -6.918
  490    HB3  GLN  64           HB3      GLN  64  25.264   2.113  -5.389
  491    HG2  GLN  64           HG2      GLN  64  24.624   0.302  -6.627
  492    HG3  GLN  64           HG3      GLN  64  23.115   0.711  -5.821
  493   HE21  GLN  64          HE21      GLN  64  22.608   3.014  -7.554
  494   HE22  GLN  64          HE22      GLN  64  22.110   2.358  -9.078
  495    H    GLY  65           HN       GLY  65  24.470   5.602  -5.122
  496    HA2  GLY  65           HA1      GLY  65  24.595   6.604  -2.795
  497    HA3  GLY  65           HA2      GLY  65  25.439   5.118  -2.375
  498    H    GLY  66           HN       GLY  66  27.550   4.785  -3.085
  499    HA2  GLY  66           HA1      GLY  66  29.541   5.336  -4.198
  500    HA3  GLY  66           HA2      GLY  66  28.816   6.851  -4.712
  501    H    SER  67           HN       SER  67  31.144   5.556  -2.817
  502    HA   SER  67           HA       SER  67  31.086   7.847  -0.967
  503    HG   SER  67           HG       SER  67  32.687   4.225  -0.009
  504    HB2  SER  67           HB2      SER  67  32.655   6.403   0.431
  505    HB3  SER  67           HB3      SER  67  30.981   5.858   0.329
  506    H    LEU  68           HN       LEU  68  32.324   9.397  -1.750
  507    HA   LEU  68           HA       LEU  68  34.937   8.670  -2.898
  508    HG   LEU  68           HG       LEU  68  35.644  11.495  -3.929
  509    HB2  LEU  68           HB2      LEU  68  33.349   9.629  -4.538
  510    HB3  LEU  68           HB3      LEU  68  33.237  11.073  -3.552
  511   HD11  LEU  68          HD11      LEU  68  36.847  10.251  -5.623
  512   HD12  LEU  68          HD12      LEU  68  36.331   9.175  -4.325
  513   HD13  LEU  68          HD13      LEU  68  35.459   9.189  -5.860
  514   HD21  LEU  68          HD21      LEU  68  33.968  12.562  -5.336
  515   HD22  LEU  68          HD22      LEU  68  35.428  12.195  -6.255
  516   HD23  LEU  68          HD23      LEU  68  33.998  11.181  -6.435
  517    H    LEU  69           HN       LEU  69  36.064   8.817  -1.019
  518    HA   LEU  69           HA       LEU  69  36.474  11.505   0.035
  519    HG   LEU  69           HG       LEU  69  36.916   8.365   1.962
  520    HB2  LEU  69           HB2      LEU  69  36.269  10.833   2.332
  521    HB3  LEU  69           HB3      LEU  69  34.782  10.439   1.495
  522   HD11  LEU  69          HD11      LEU  69  34.624   9.072   3.788
  523   HD12  LEU  69          HD12      LEU  69  35.697   7.684   3.963
  524   HD13  LEU  69          HD13      LEU  69  36.336   9.319   4.130
  525   HD21  LEU  69          HD21      LEU  69  33.938   8.193   1.502
  526   HD22  LEU  69          HD22      LEU  69  35.196   7.804   0.331
  527   HD23  LEU  69          HD23      LEU  69  35.014   6.826   1.786
  528    H    ALA  70           HN       ALA  70  37.791   8.956  -1.345
  529    HA   ALA  70           HA       ALA  70  39.987   8.377   0.406
  530    HB1  ALA  70           HB1      ALA  70  39.152   6.684  -1.136
  531    HB2  ALA  70           HB2      ALA  70  39.596   7.698  -2.509
  532    HB3  ALA  70           HB3      ALA  70  40.849   7.041  -1.454
  533    HA   PRO  71           HA       PRO  71  42.452  11.835  -0.822
  534    HB2  PRO  71           HB2      PRO  71  44.730  10.487   0.382
  535    HB3  PRO  71           HB3      PRO  71  43.865  11.918   0.949
  536    HG2  PRO  71           HG2      PRO  71  43.768   9.525   2.239
  537    HG3  PRO  71           HG3      PRO  71  42.433  10.692   2.261
  538    HD2  PRO  71           HD2      PRO  71  42.764   8.222   0.595
  539    HD3  PRO  71           HD3      PRO  71  41.315   8.831   1.416
  540    H    VAL  72           HN       VAL  72  42.840  11.854  -2.939
  541    HA   VAL  72           HA       VAL  72  44.876  10.018  -3.968
  542    HB   VAL  72           HB       VAL  72  42.765   9.031  -4.554
  543   HG11  VAL  72          HG11      VAL  72  41.119  10.166  -5.972
  544   HG12  VAL  72          HG12      VAL  72  41.315  10.965  -4.413
  545   HG13  VAL  72          HG13      VAL  72  42.056  11.657  -5.858
  546   HG21  VAL  72          HG21      VAL  72  44.566   8.882  -6.195
  547   HG22  VAL  72          HG22      VAL  72  42.987   8.922  -6.984
  548   HG23  VAL  72          HG23      VAL  72  44.001  10.366  -6.963
  549    H    ALA  73           HN       ALA  73  46.477  11.331  -4.388
  550    HA   ALA  73           HA       ALA  73  46.147  14.048  -5.159
  551    HB1  ALA  73           HB1      ALA  73  48.075  13.266  -3.859
  552    HB2  ALA  73           HB2      ALA  73  48.633  12.347  -5.256
  553    HB3  ALA  73           HB3      ALA  73  48.566  14.107  -5.329
  554    H    ARG  74           HN       ARG  74  47.349  11.171  -6.884
  555    HA   ARG  74           HA       ARG  74  46.176  11.837  -9.343
  556    HE   ARG  74           HE       ARG  74  49.597  13.462 -11.728
  557    HB2  ARG  74           HB2      ARG  74  48.143  12.496 -10.658
  558    HB3  ARG  74           HB3      ARG  74  47.769  13.681  -9.416
  559    HG2  ARG  74           HG2      ARG  74  49.574  12.838  -8.031
  560    HG3  ARG  74           HG3      ARG  74  49.920  11.582  -9.219
  561    HD2  ARG  74           HD2      ARG  74  50.167  14.560  -9.626
  562    HD3  ARG  74           HD3      ARG  74  51.492  13.407  -9.466
  563   HH11  ARG  74          HH12      ARG  74  52.790  12.877 -10.413
  564   HH12  ARG  74          HH11      ARG  74  53.484  12.430 -11.949
  565   HH21  ARG  74          HH22      ARG  74  50.480  12.874 -13.742
  566   HH22  ARG  74          HH21      ARG  74  52.164  12.425 -13.848
  567    H    ASN  75           HN       ASN  75  48.678  10.189  -7.572
  568    HA   ASN  75           HA       ASN  75  49.629   8.157  -7.708
  569    HB2  ASN  75           HB2      ASN  75  47.249   7.628  -9.466
  570    HB3  ASN  75           HB3      ASN  75  48.491   6.408  -9.207
  571   HD21  ASN  75          HD21      ASN  75  48.768   5.530  -7.150
  572   HD22  ASN  75          HD22      ASN  75  47.532   5.642  -5.940
  573    H    GLY  76           HN       GLY  76  50.272   6.423  -9.614
  574    HA2  GLY  76           HA1      GLY  76  51.289   6.381 -11.829
  575    HA3  GLY  76           HA2      GLY  76  51.686   8.092 -11.596
  576    H    ARG  77           HN       ARG  77  53.740   8.324 -11.332
  577    HA   ARG  77           HA       ARG  77  54.941   7.169  -9.003
  578    HE   ARG  77           HE       ARG  77  56.639   3.672  -9.900
  579    HB2  ARG  77           HB2      ARG  77  55.447   5.461 -10.727
  580    HB3  ARG  77           HB3      ARG  77  56.209   6.698 -11.715
  581    HG2  ARG  77           HG2      ARG  77  57.927   7.025 -10.045
  582    HG3  ARG  77           HG3      ARG  77  57.135   5.865  -8.974
  583    HD2  ARG  77           HD2      ARG  77  58.169   5.195 -11.726
  584    HD3  ARG  77           HD3      ARG  77  59.087   4.948 -10.241
  585   HH11  ARG  77          HH12      ARG  77  59.378   3.412 -12.071
  586   HH12  ARG  77          HH11      ARG  77  59.229   1.694 -12.268
  587   HH21  ARG  77          HH22      ARG  77  56.466   1.403 -10.122
  588   HH22  ARG  77          HH21      ARG  77  57.601   0.548 -11.123
  589    H    LEU  78           HN       LEU  78  55.494   8.951 -12.009
  590    HA   LEU  78           HA       LEU  78  55.856  11.387 -10.602
  591    HG   LEU  78           HG       LEU  78  58.218  12.775 -12.105
  592    HB2  LEU  78           HB2      LEU  78  58.116  10.333 -10.332
  593    HB3  LEU  78           HB3      LEU  78  58.277  10.359 -12.079
  594   HD11  LEU  78          HD11      LEU  78  58.029  14.082 -10.078
  595   HD12  LEU  78          HD12      LEU  78  56.615  13.040 -10.259
  596   HD13  LEU  78          HD13      LEU  78  57.887  12.610  -9.114
  597   HD21  LEU  78          HD21      LEU  78  60.090  11.748  -9.973
  598   HD22  LEU  78          HD22      LEU  78  60.377  11.696 -11.713
  599   HD23  LEU  78          HD23      LEU  78  60.277  13.247 -10.880
  600    H1   GLY   1           H1       GLY   1 -12.234  20.068 -14.385
  601    H2   GLY   1           H2       GLY   1 -13.607  20.147 -13.392
  602    H3   GLY   1           H3       GLY   1 -13.660  19.271 -14.845
  603    HA2  GLY   1           HA2      GLY   1 -12.025  17.708 -13.980
  604    HA3  GLY   1           HA1      GLY   1 -12.006  18.610 -12.470
  605    HA   PRO   2           HA       PRO   2 -16.071  16.097 -12.805
  606    HB2  PRO   2           HB2      PRO   2 -15.538  13.684 -14.175
  607    HB3  PRO   2           HB3      PRO   2 -16.476  15.055 -14.769
  608    HG2  PRO   2           HG2      PRO   2 -14.018  14.166 -15.777
  609    HG3  PRO   2           HG3      PRO   2 -14.800  15.714 -16.133
  610    HD2  PRO   2           HD2      PRO   2 -12.585  15.099 -14.239
  611    HD3  PRO   2           HD3      PRO   2 -12.898  16.575 -15.180
  612    H    LEU   3           HN       LEU   3 -16.780  14.513 -11.388
  613    HA   LEU   3           HA       LEU   3 -14.821  13.332  -9.641
  614    HG   LEU   3           HG       LEU   3 -17.355  15.230  -9.248
  615    HB2  LEU   3           HB2      LEU   3 -17.811  12.882  -9.791
  616    HB3  LEU   3           HB3      LEU   3 -16.765  12.371  -8.482
  617   HD11  LEU   3          HD11      LEU   3 -18.527  15.301  -7.094
  618   HD12  LEU   3          HD12      LEU   3 -19.261  14.150  -8.211
  619   HD13  LEU   3          HD13      LEU   3 -18.240  13.572  -6.894
  620   HD21  LEU   3          HD21      LEU   3 -16.131  15.811  -7.220
  621   HD22  LEU   3          HD22      LEU   3 -15.740  14.111  -6.960
  622   HD23  LEU   3          HD23      LEU   3 -15.092  14.961  -8.365
  623    H    GLY   4           HN       GLY   4 -17.261  12.112 -11.909
  624    HA2  GLY   4           HA1      GLY   4 -16.945  10.456 -13.506
  625    HA3  GLY   4           HA2      GLY   4 -15.396  10.077 -12.772
  626    H    SER   5           HN       SER   5 -15.403   8.025 -12.238
  627    HA   SER   5           HA       SER   5 -17.908   6.856 -11.232
  628    HG   SER   5           HG       SER   5 -17.840   5.616 -14.288
  629    HB2  SER   5           HB2      SER   5 -15.759   5.404 -12.779
  630    HB3  SER   5           HB3      SER   5 -17.385   4.834 -12.394
  631    H    SER   6           HN       SER   6 -17.536   6.842  -9.044
  632    HA   SER   6           HA       SER   6 -15.200   5.525  -7.981
  633    HG   SER   6           HG       SER   6 -15.641   7.715  -7.328
  634    HB2  SER   6           HB2      SER   6 -17.827   6.209  -6.624
  635    HB3  SER   6           HB3      SER   6 -16.330   5.736  -5.816
  636    H    ALA   7           HN       ALA   7 -14.967   3.404  -8.315
  637    HA   ALA   7           HA       ALA   7 -17.054   1.898  -9.495
  638    HB1  ALA   7           HB1      ALA   7 -14.695   1.561 -10.024
  639    HB2  ALA   7           HB2      ALA   7 -14.426   0.927  -8.400
  640    HB3  ALA   7           HB3      ALA   7 -15.477   0.061  -9.519
  641    H    GLY   8           HN       GLY   8 -18.793   1.343  -8.377
  642    HA2  GLY   8           HA1      GLY   8 -18.901   0.756  -5.627
  643    HA3  GLY   8           HA2      GLY   8 -20.125   0.328  -6.815
  644    H    ALA   9           HN       ALA   9 -18.648  -1.366  -8.461
  645    HA   ALA   9           HA       ALA   9 -18.781  -3.797  -7.020
  646    HB1  ALA   9           HB1      ALA   9 -17.472  -3.238  -9.682
  647    HB2  ALA   9           HB2      ALA   9 -17.865  -4.833  -9.039
  648    HB3  ALA   9           HB3      ALA   9 -19.157  -3.697  -9.427
  649    H    LEU  10           HN       LEU  10 -16.073  -1.760  -8.015
  650    HA   LEU  10           HA       LEU  10 -13.996  -3.442  -7.116
  651    HG   LEU  10           HG       LEU  10 -12.144  -1.164  -6.029
  652    HB2  LEU  10           HB2      LEU  10 -13.605  -1.579  -8.637
  653    HB3  LEU  10           HB3      LEU  10 -14.105  -0.440  -7.404
  654   HD11  LEU  10          HD11      LEU  10 -11.349  -2.589  -8.566
  655   HD12  LEU  10          HD12      LEU  10 -10.340  -2.374  -7.136
  656   HD13  LEU  10          HD13      LEU  10 -11.799  -3.361  -7.045
  657   HD21  LEU  10          HD21      LEU  10 -11.540  -0.065  -8.769
  658   HD22  LEU  10          HD22      LEU  10 -12.089   0.866  -7.374
  659   HD23  LEU  10          HD23      LEU  10 -10.510   0.081  -7.344
  660    H    LEU  11           HN       LEU  11 -15.711  -0.747  -5.602
  661    HA   LEU  11           HA       LEU  11 -14.427  -0.798  -3.117
  662    HG   LEU  11           HG       LEU  11 -16.825   1.816  -2.047
  663    HB2  LEU  11           HB2      LEU  11 -15.965   0.972  -4.041
  664    HB3  LEU  11           HB3      LEU  11 -17.311  -0.083  -3.672
  665   HD11  LEU  11          HD11      LEU  11 -16.950  -0.984  -0.946
  666   HD12  LEU  11          HD12      LEU  11 -17.401   0.490  -0.089
  667   HD13  LEU  11          HD13      LEU  11 -18.324  -0.027  -1.501
  668   HD21  LEU  11          HD21      LEU  11 -14.590  -0.033  -1.230
  669   HD22  LEU  11          HD22      LEU  11 -14.402   1.562  -1.960
  670   HD23  LEU  11          HD23      LEU  11 -15.117   1.404  -0.356
  671    H    ALA  12           HN       ALA  12 -17.343  -2.471  -4.262
  672    HA   ALA  12           HA       ALA  12 -18.151  -3.611  -1.860
  673    HB1  ALA  12           HB1      ALA  12 -19.437  -5.180  -3.186
  674    HB2  ALA  12           HB2      ALA  12 -19.530  -3.561  -3.883
  675    HB3  ALA  12           HB3      ALA  12 -18.487  -4.778  -4.616
  676    H    HIS  13           HN       HIS  13 -16.109  -5.112  -4.391
  677    HA   HIS  13           HA       HIS  13 -15.801  -7.483  -2.835
  678    HD1  HIS  13           HD1      HIS  13 -12.102  -8.094  -4.809
  679    HD2  HIS  13           HD2      HIS  13 -14.297  -4.959  -6.437
  680    HE1  HIS  13           HE1      HIS  13 -10.442  -6.691  -6.081
  681    HE2  HIS  13           HE2      HIS  13 -11.822  -4.892  -7.178
  682    HB2  HIS  13           HB2      HIS  13 -14.586  -8.396  -4.583
  683    HB3  HIS  13           HB3      HIS  13 -15.640  -7.257  -5.404
  684    H    ALA  14           HN       ALA  14 -14.033  -4.500  -3.059
  685    HA   ALA  14           HA       ALA  14 -11.694  -5.431  -1.708
  686    HB1  ALA  14           HB1      ALA  14 -11.665  -3.384  -3.040
  687    HB2  ALA  14           HB2      ALA  14 -12.814  -2.637  -1.928
  688    HB3  ALA  14           HB3      ALA  14 -11.196  -3.057  -1.371
  689    H    ALA  15           HN       ALA  15 -14.783  -4.067  -0.736
  690    HA   ALA  15           HA       ALA  15 -14.202  -3.723   2.011
  691    HB1  ALA  15           HB1      ALA  15 -16.602  -3.509   2.305
  692    HB2  ALA  15           HB2      ALA  15 -16.077  -2.616   0.877
  693    HB3  ALA  15           HB3      ALA  15 -16.879  -4.177   0.695
  694    H    SER  16           HN       SER  16 -15.468  -6.438   0.148
  695    HA   SER  16           HA       SER  16 -16.158  -7.991   2.429
  696    HG   SER  16           HG       SER  16 -16.373  -8.483  -1.451
  697    HB2  SER  16           HB2      SER  16 -16.202  -9.887   0.716
  698    HB3  SER  16           HB3      SER  16 -17.293  -8.530   0.431
  699    H    LEU  17           HN       LEU  17 -13.211  -7.444   0.703
  700    HA   LEU  17           HA       LEU  17 -11.896  -9.717   1.971
  701    HG   LEU  17           HG       LEU  17 -12.331  -9.067  -1.051
  702    HB2  LEU  17           HB2      LEU  17 -10.798  -7.566   0.158
  703    HB3  LEU  17           HB3      LEU  17  -9.902  -8.959   0.735
  704   HD11  LEU  17          HD11      LEU  17 -10.403  -8.144  -2.198
  705   HD12  LEU  17          HD12      LEU  17  -9.408  -9.492  -1.644
  706   HD13  LEU  17          HD13      LEU  17 -10.735  -9.781  -2.768
  707   HD21  LEU  17          HD21      LEU  17 -10.470 -11.243  -0.110
  708   HD22  LEU  17          HD22      LEU  17 -12.147 -11.023   0.387
  709   HD23  LEU  17          HD23      LEU  17 -11.768 -11.432  -1.287
  710    H    GLY  18           HN       GLY  18 -12.315  -6.310   2.373
  711    HA2  GLY  18           HA1      GLY  18 -11.867  -5.078   4.301
  712    HA3  GLY  18           HA2      GLY  18 -10.926  -6.429   4.915
  713    H    VAL  19           HN       VAL  19 -10.479  -4.925   1.764
  714    HA   VAL  19           HA       VAL  19  -7.703  -4.407   2.317
  715    HB   VAL  19           HB       VAL  19  -9.378  -3.510  -0.044
  716   HG11  VAL  19          HG11      VAL  19  -7.205  -3.281  -1.193
  717   HG12  VAL  19          HG12      VAL  19  -7.355  -2.188   0.184
  718   HG13  VAL  19          HG13      VAL  19  -6.382  -3.654   0.321
  719   HG21  VAL  19          HG21      VAL  19  -9.349  -5.942   0.179
  720   HG22  VAL  19          HG22      VAL  19  -8.412  -5.425  -1.222
  721   HG23  VAL  19          HG23      VAL  19  -7.588  -5.922   0.256
  722    H    ARG  20           HN       ARG  20  -6.845  -2.576   3.138
  723    HA   ARG  20           HA       ARG  20  -8.674  -0.284   3.502
  724    HE   ARG  20           HE       ARG  20  -9.027  -4.421   6.532
  725    HB2  ARG  20           HB2      ARG  20  -6.622  -1.225   5.509
  726    HB3  ARG  20           HB3      ARG  20  -7.900  -0.038   5.750
  727    HG2  ARG  20           HG2      ARG  20  -9.561  -1.651   5.835
  728    HG3  ARG  20           HG3      ARG  20  -8.567  -2.858   5.022
  729    HD2  ARG  20           HD2      ARG  20  -7.054  -2.645   7.121
  730    HD3  ARG  20           HD3      ARG  20  -8.491  -1.941   7.866
  731   HH11  ARG  20          HH12      ARG  20  -7.786  -3.026   9.498
  732   HH12  ARG  20          HH11      ARG  20  -8.254  -4.382  10.477
  733   HH21  ARG  20          HH22      ARG  20  -9.596  -6.238   7.810
  734   HH22  ARG  20          HH21      ARG  20  -9.266  -6.207   9.524
  735    H    LEU  21           HN       LEU  21  -7.910   1.580   2.778
  736    HA   LEU  21           HA       LEU  21  -5.027   2.102   2.916
  737    HG   LEU  21           HG       LEU  21  -4.439   0.938   0.857
  738    HB2  LEU  21           HB2      LEU  21  -6.828   2.706   0.564
  739    HB3  LEU  21           HB3      LEU  21  -5.252   3.432   0.785
  740   HD11  LEU  21          HD11      LEU  21  -6.995   0.709  -0.720
  741   HD12  LEU  21          HD12      LEU  21  -5.737  -0.522  -0.593
  742   HD13  LEU  21          HD13      LEU  21  -6.664  -0.054   0.835
  743   HD21  LEU  21          HD21      LEU  21  -4.107   1.037  -1.579
  744   HD22  LEU  21          HD22      LEU  21  -5.252   2.377  -1.662
  745   HD23  LEU  21          HD23      LEU  21  -3.737   2.566  -0.781
  746    H    TRP  22           HN       TRP  22  -4.640   3.901   4.040
  747    HA   TRP  22           HA       TRP  22  -6.542   6.110   3.871
  748    HD1  TRP  22           HD1      TRP  22  -4.757   6.635   7.977
  749    HE1  TRP  22           HE1      TRP  22  -3.330   4.971   9.327
  750    HE3  TRP  22           HE3      TRP  22  -6.105   2.304   5.609
  751    HZ2  TRP  22           HZ2      TRP  22  -2.834   2.196   9.367
  752    HZ3  TRP  22           HZ3      TRP  22  -5.101   0.192   6.366
  753    HH2  TRP  22           HH2      TRP  22  -3.499   0.141   8.206
  754    HB2  TRP  22           HB2      TRP  22  -6.701   6.392   6.267
  755    HB3  TRP  22           HB3      TRP  22  -7.217   4.765   5.846
  756    H    VAL  23           HN       VAL  23  -5.629   8.126   4.168
  757    HA   VAL  23           HA       VAL  23  -2.757   8.203   3.932
  758    HB   VAL  23           HB       VAL  23  -4.045   9.695   2.521
  759   HG11  VAL  23          HG11      VAL  23  -5.038  10.989   5.056
  760   HG12  VAL  23          HG12      VAL  23  -5.335  11.562   3.415
  761   HG13  VAL  23          HG13      VAL  23  -5.994  10.014   3.941
  762   HG21  VAL  23          HG21      VAL  23  -2.926  11.832   3.033
  763   HG22  VAL  23          HG22      VAL  23  -2.477  11.197   4.617
  764   HG23  VAL  23          HG23      VAL  23  -1.836  10.450   3.153
  765    H    GLU  24           HN       GLU  24  -1.379   8.482   5.542
  766    HA   GLU  24           HA       GLU  24  -2.353   9.694   8.035
  767    HB2  GLU  24           HB2      GLU  24  -2.287   7.228   8.278
  768    HB3  GLU  24           HB3      GLU  24  -0.584   7.242   7.845
  769    HG2  GLU  24           HG2      GLU  24  -0.877   7.038  10.240
  770    HG3  GLU  24           HG3      GLU  24  -0.075   8.553   9.830
  771    H    GLY  25           HN       GLY  25  -1.193  11.432   8.468
  772    HA2  GLY  25           HA1      GLY  25   0.614  12.841   8.690
  773    HA3  GLY  25           HA2      GLY  25   1.656  11.453   8.404
  774    H    GLU  26           HN       GLU  26   2.631  11.239   6.483
  775    HA   GLU  26           HA       GLU  26   1.870  13.162   4.390
  776    HB2  GLU  26           HB2      GLU  26   4.372  12.807   3.709
  777    HB3  GLU  26           HB3      GLU  26   3.958  13.913   5.008
  778    HG2  GLU  26           HG2      GLU  26   5.896  12.547   5.567
  779    HG3  GLU  26           HG3      GLU  26   4.550  12.239   6.661
  780    H    ARG  27           HN       ARG  27   1.737   9.951   5.099
  781    HA   ARG  27           HA       ARG  27   2.203   9.170   2.299
  782    HE   ARG  27           HE       ARG  27   5.200   9.122   2.929
  783    HB2  ARG  27           HB2      ARG  27   4.022   8.564   4.089
  784    HB3  ARG  27           HB3      ARG  27   2.887   7.295   4.522
  785    HG2  ARG  27           HG2      ARG  27   4.561   6.474   2.975
  786    HG3  ARG  27           HG3      ARG  27   2.956   6.446   2.235
  787    HD2  ARG  27           HD2      ARG  27   4.838   7.318   0.783
  788    HD3  ARG  27           HD3      ARG  27   3.420   8.359   0.932
  789   HH11  ARG  27          HH12      ARG  27   5.114   9.084  -0.582
  790   HH12  ARG  27          HH11      ARG  27   6.128  10.486  -0.739
  791   HH21  ARG  27          HH22      ARG  27   6.502  10.922   2.725
  792   HH22  ARG  27          HH21      ARG  27   6.933  11.525   1.150
  793    H    LEU  28           HN       LEU  28   0.949   7.569   1.478
  794    HA   LEU  28           HA       LEU  28  -1.555   6.988   2.716
  795    HG   LEU  28           HG       LEU  28  -2.593   5.582  -0.595
  796    HB2  LEU  28           HB2      LEU  28  -1.059   7.179   0.225
  797    HB3  LEU  28           HB3      LEU  28  -0.275   5.620   0.339
  798   HD11  LEU  28          HD11      LEU  28  -3.338   3.629   0.672
  799   HD12  LEU  28          HD12      LEU  28  -1.609   3.562   0.331
  800   HD13  LEU  28          HD13      LEU  28  -2.171   4.005   1.942
  801   HD21  LEU  28          HD21      LEU  28  -3.373   6.271   2.232
  802   HD22  LEU  28          HD22      LEU  28  -3.575   7.301   0.813
  803   HD23  LEU  28          HD23      LEU  28  -4.472   5.789   0.940
  804    H    ARG  29           HN       ARG  29  -1.767   5.573   4.331
  805    HA   ARG  29           HA       ARG  29   0.193   3.443   4.670
  806    HE   ARG  29           HE       ARG  29   2.489   4.637   8.068
  807    HB2  ARG  29           HB2      ARG  29  -1.665   4.885   6.419
  808    HB3  ARG  29           HB3      ARG  29  -1.652   3.151   6.699
  809    HG2  ARG  29           HG2      ARG  29  -0.087   4.230   8.175
  810    HG3  ARG  29           HG3      ARG  29   0.781   3.231   7.009
  811    HD2  ARG  29           HD2      ARG  29   1.265   5.244   5.678
  812    HD3  ARG  29           HD3      ARG  29   0.439   6.229   6.888
  813   HH11  ARG  29          HH12      ARG  29   1.954   7.601   6.275
  814   HH12  ARG  29          HH11      ARG  29   3.464   8.317   6.745
  815   HH21  ARG  29          HH22      ARG  29   4.451   5.582   8.712
  816   HH22  ARG  29          HH21      ARG  29   4.876   7.166   8.150
  817    H    PHE  30           HN       PHE  30  -0.227   1.342   4.354
  818    HA   PHE  30           HA       PHE  30  -2.799   0.711   3.070
  819    HD1  PHE  30           HD1      PHE  30  -2.775  -2.265   2.207
  820    HD2  PHE  30           HD2      PHE  30  -0.958   0.724  -0.213
  821    HE1  PHE  30           HE1      PHE  30  -4.012  -3.100   0.252
  822    HE2  PHE  30           HE2      PHE  30  -2.195  -0.100  -2.171
  823    HZ   PHE  30           HZ       PHE  30  -3.723  -2.016  -1.943
  824    HB2  PHE  30           HB2      PHE  30  -0.351   0.577   1.960
  825    HB3  PHE  30           HB3      PHE  30  -0.407  -1.020   2.691
  826    H    GLN  31           HN       GLN  31  -3.810  -1.265   3.561
  827    HA   GLN  31           HA       GLN  31  -2.508  -3.144   5.337
  828    HB2  GLN  31           HB2      GLN  31  -3.652  -1.599   6.894
  829    HB3  GLN  31           HB3      GLN  31  -5.171  -1.907   6.066
  830    HG2  GLN  31           HG2      GLN  31  -5.006  -3.175   8.136
  831    HG3  GLN  31           HG3      GLN  31  -5.097  -4.236   6.733
  832   HE21  GLN  31          HE21      GLN  31  -3.340  -5.502   6.193
  833   HE22  GLN  31          HE22      GLN  31  -1.979  -5.707   7.233
  834    H    ALA  32           HN       ALA  32  -2.681  -4.925   4.149
  835    HA   ALA  32           HA       ALA  32  -5.330  -5.630   3.087
  836    HB1  ALA  32           HB1      ALA  32  -2.702  -5.992   1.653
  837    HB2  ALA  32           HB2      ALA  32  -4.276  -6.541   1.079
  838    HB3  ALA  32           HB3      ALA  32  -3.948  -4.816   1.243
  839    HA   PRO  33           HA       PRO  33  -4.603  -9.519   5.185
  840    HB2  PRO  33           HB2      PRO  33  -6.556 -10.524   3.199
  841    HB3  PRO  33           HB3      PRO  33  -6.612 -10.596   4.964
  842    HG2  PRO  33           HG2      PRO  33  -8.196  -8.930   3.612
  843    HG3  PRO  33           HG3      PRO  33  -7.459  -8.444   5.150
  844    HD2  PRO  33           HD2      PRO  33  -6.649  -7.731   2.357
  845    HD3  PRO  33           HD3      PRO  33  -6.722  -6.703   3.805
  846    HA   PRO  34           HA       PRO  34  -1.710 -11.574   2.598
  847    HB2  PRO  34           HB2      PRO  34  -1.993 -14.168   3.452
  848    HB3  PRO  34           HB3      PRO  34  -1.088 -12.929   4.327
  849    HG2  PRO  34           HG2      PRO  34  -3.866 -13.930   4.784
  850    HG3  PRO  34           HG3      PRO  34  -2.616 -13.506   5.968
  851    HD2  PRO  34           HD2      PRO  34  -4.671 -11.858   5.396
  852    HD3  PRO  34           HD3      PRO  34  -3.058 -11.245   5.813
  853    H    GLY  35           HN       GLY  35  -2.001 -11.901   0.491
  854    HA2  GLY  35           HA1      GLY  35  -2.338 -13.607  -1.173
  855    HA3  GLY  35           HA2      GLY  35  -3.768 -14.119  -0.293
  856    H    VAL  36           HN       VAL  36  -4.836 -11.432   0.062
  857    HA   VAL  36           HA       VAL  36  -6.335 -11.436  -2.371
  858    HB   VAL  36           HB       VAL  36  -7.675  -9.672  -1.401
  859   HG11  VAL  36          HG11      VAL  36  -8.081 -11.947  -0.630
  860   HG12  VAL  36          HG12      VAL  36  -6.911 -11.725   0.671
  861   HG13  VAL  36          HG13      VAL  36  -8.401 -10.781   0.654
  862   HG21  VAL  36          HG21      VAL  36  -5.614  -9.540   0.797
  863   HG22  VAL  36          HG22      VAL  36  -5.867  -8.322  -0.453
  864   HG23  VAL  36          HG23      VAL  36  -7.130  -8.641   0.738
  865    H    MET  37           HN       MET  37  -3.461  -9.939  -1.534
  866    HA   MET  37           HA       MET  37  -3.940  -7.518  -3.052
  867    HB2  MET  37           HB2      MET  37  -2.694  -7.531  -0.865
  868    HB3  MET  37           HB3      MET  37  -1.377  -8.347  -1.695
  869    HG2  MET  37           HG2      MET  37  -1.227  -5.815  -1.399
  870    HG3  MET  37           HG3      MET  37  -0.864  -6.486  -2.989
  871    HE1  MET  37           HE1      MET  37  -4.471  -6.138  -1.460
  872    HE2  MET  37           HE2      MET  37  -3.656  -4.715  -0.810
  873    HE3  MET  37           HE3      MET  37  -4.940  -4.529  -2.007
  874    H    THR  38           HN       THR  38  -3.764 -10.261  -4.290
  875    HA   THR  38           HA       THR  38  -1.508 -10.674  -5.807
  876    HB   THR  38           HB       THR  38  -3.104 -11.524  -7.601
  877    HG1  THR  38           HG1      THR  38  -4.817 -10.069  -6.144
  878   HG21  THR  38          HG21      THR  38  -3.471 -12.518  -4.775
  879   HG22  THR  38          HG22      THR  38  -2.190 -12.996  -5.888
  880   HG23  THR  38          HG23      THR  38  -3.865 -13.421  -6.240
  881    HA   PRO  39           HA       PRO  39  -0.513  -7.233  -8.274
  882    HB2  PRO  39           HB2      PRO  39  -0.551  -9.186 -10.543
  883    HB3  PRO  39           HB3      PRO  39   0.670  -7.980 -10.117
  884    HG2  PRO  39           HG2      PRO  39   1.047 -10.532  -9.505
  885    HG3  PRO  39           HG3      PRO  39   1.510  -9.252  -8.367
  886    HD2  PRO  39           HD2      PRO  39  -0.789 -11.137  -8.271
  887    HD3  PRO  39           HD3      PRO  39   0.126 -10.400  -6.941
  888    H    GLU  40           HN       GLU  40  -2.926  -9.371  -9.841
  889    HA   GLU  40           HA       GLU  40  -3.935  -7.440 -11.598
  890    HB2  GLU  40           HB2      GLU  40  -5.923  -8.846 -11.794
  891    HB3  GLU  40           HB3      GLU  40  -4.456  -9.810 -11.855
  892    HG2  GLU  40           HG2      GLU  40  -4.809 -10.670  -9.699
  893    HG3  GLU  40           HG3      GLU  40  -6.034  -9.458  -9.329
  894    H    LEU  41           HN       LEU  41  -4.934  -8.269  -8.296
  895    HA   LEU  41           HA       LEU  41  -7.144  -6.465  -8.266
  896    HG   LEU  41           HG       LEU  41  -8.199  -6.189  -6.062
  897    HB2  LEU  41           HB2      LEU  41  -6.970  -8.462  -6.809
  898    HB3  LEU  41           HB3      LEU  41  -5.644  -7.700  -5.953
  899   HD11  LEU  41          HD11      LEU  41  -8.963  -8.470  -5.638
  900   HD12  LEU  41          HD12      LEU  41  -7.805  -8.616  -4.315
  901   HD13  LEU  41          HD13      LEU  41  -9.133  -7.459  -4.203
  902   HD21  LEU  41          HD21      LEU  41  -6.208  -5.322  -4.906
  903   HD22  LEU  41          HD22      LEU  41  -7.544  -5.600  -3.788
  904   HD23  LEU  41          HD23      LEU  41  -6.204  -6.745  -3.864
  905    H    GLN  42           HN       GLN  42  -3.802  -6.340  -7.178
  906    HA   GLN  42           HA       GLN  42  -3.797  -3.864  -5.907
  907    HB2  GLN  42           HB2      GLN  42  -1.891  -5.372  -5.827
  908    HB3  GLN  42           HB3      GLN  42  -1.645  -5.200  -7.559
  909    HG2  GLN  42           HG2      GLN  42  -0.013  -3.890  -6.392
  910    HG3  GLN  42           HG3      GLN  42  -1.135  -2.816  -7.224
  911   HE21  GLN  42          HE21      GLN  42  -2.595  -1.592  -6.017
  912   HE22  GLN  42          HE22      GLN  42  -2.380  -1.331  -4.322
  913    H    SER  43           HN       SER  43  -3.386  -4.665  -9.331
  914    HA   SER  43           HA       SER  43  -2.989  -1.973 -10.167
  915    HG   SER  43           HG       SER  43  -3.384  -1.781 -12.437
  916    HB2  SER  43           HB2      SER  43  -2.183  -3.913 -11.469
  917    HB3  SER  43           HB3      SER  43  -3.850  -4.383 -11.789
  918    H    ARG  44           HN       ARG  44  -5.810  -4.014  -9.713
  919    HA   ARG  44           HA       ARG  44  -7.597  -2.351 -11.185
  920    HE   ARG  44           HE       ARG  44 -10.717  -4.615 -11.463
  921    HB2  ARG  44           HB2      ARG  44  -8.137  -4.451  -9.086
  922    HB3  ARG  44           HB3      ARG  44  -9.396  -3.626  -9.999
  923    HG2  ARG  44           HG2      ARG  44  -8.346  -4.484 -12.087
  924    HG3  ARG  44           HG3      ARG  44  -7.242  -5.427 -11.083
  925    HD2  ARG  44           HD2      ARG  44  -9.015  -6.870 -11.725
  926    HD3  ARG  44           HD3      ARG  44  -9.262  -6.472 -10.025
  927   HH11  ARG  44          HH12      ARG  44 -10.679  -8.090 -11.023
  928   HH12  ARG  44          HH11      ARG  44 -12.352  -8.295 -11.446
  929   HH21  ARG  44          HH22      ARG  44 -12.918  -4.867 -12.007
  930   HH22  ARG  44          HH21      ARG  44 -13.638  -6.453 -12.010
  931    H    LEU  45           HN       LEU  45  -6.481  -2.379  -7.867
  932    HA   LEU  45           HA       LEU  45  -8.337  -0.496  -6.854
  933    HG   LEU  45           HG       LEU  45  -6.969  -2.956  -5.686
  934    HB2  LEU  45           HB2      LEU  45  -5.452  -0.996  -6.087
  935    HB3  LEU  45           HB3      LEU  45  -6.569  -0.009  -5.165
  936   HD11  LEU  45          HD11      LEU  45  -5.837  -1.547  -3.272
  937   HD12  LEU  45          HD12      LEU  45  -6.280  -3.253  -3.342
  938   HD13  LEU  45          HD13      LEU  45  -4.973  -2.638  -4.355
  939   HD21  LEU  45          HD21      LEU  45  -8.304  -1.049  -3.770
  940   HD22  LEU  45          HD22      LEU  45  -9.019  -1.705  -5.244
  941   HD23  LEU  45          HD23      LEU  45  -8.621  -2.779  -3.902
  942    H    GLY  46           HN       GLY  46  -5.135  -0.159  -8.320
  943    HA2  GLY  46           HA1      GLY  46  -4.471   1.419  -9.881
  944    HA3  GLY  46           HA2      GLY  46  -5.987   2.268  -9.633
  945    H    GLY  47           HN       GLY  47  -5.424   2.205  -6.665
  946    HA2  GLY  47           HA1      GLY  47  -4.442   3.552  -5.084
  947    HA3  GLY  47           HA2      GLY  47  -3.112   3.796  -6.205
  948    H    ALA  48           HN       ALA  48  -6.269   4.540  -7.373
  949    HA   ALA  48           HA       ALA  48  -5.531   7.262  -7.810
  950    HB1  ALA  48           HB1      ALA  48  -8.217   5.920  -8.137
  951    HB2  ALA  48           HB2      ALA  48  -7.771   7.506  -8.767
  952    HB3  ALA  48           HB3      ALA  48  -6.970   6.056  -9.376
  953    H    ARG  49           HN       ARG  49  -6.523   9.139  -6.946
  954    HA   ARG  49           HA       ARG  49  -6.699   8.954  -4.126
  955    HE   ARG  49           HE       ARG  49  -8.502  13.731  -7.374
  956    HB2  ARG  49           HB2      ARG  49  -7.030  11.380  -4.159
  957    HB3  ARG  49           HB3      ARG  49  -5.692  10.889  -5.185
  958    HG2  ARG  49           HG2      ARG  49  -7.185  11.094  -7.151
  959    HG3  ARG  49           HG3      ARG  49  -8.448  11.703  -6.082
  960    HD2  ARG  49           HD2      ARG  49  -6.866  13.516  -5.392
  961    HD3  ARG  49           HD3      ARG  49  -5.769  12.956  -6.652
  962   HH11  ARG  49          HH12      ARG  49  -5.062  14.361  -7.501
  963   HH12  ARG  49          HH11      ARG  49  -5.187  15.516  -8.791
  964   HH21  ARG  49          HH22      ARG  49  -8.694  15.251  -9.032
  965   HH22  ARG  49          HH21      ARG  49  -7.275  16.035  -9.668
  966    H    HIS  50           HN       HIS  50  -9.135   9.694  -6.607
  967    HA   HIS  50           HA       HIS  50 -11.222  10.192  -4.784
  968    HD1  HIS  50           HD1      HIS  50 -12.338   7.506  -8.148
  969    HD2  HIS  50           HD2      HIS  50  -9.709  10.634  -8.978
  970    HE1  HIS  50           HE1      HIS  50 -11.197   6.895 -10.303
  971    HE2  HIS  50           HE2      HIS  50  -9.460   8.686 -10.662
  972    HB2  HIS  50           HB2      HIS  50 -12.744   9.728  -6.770
  973    HB3  HIS  50           HB3      HIS  50 -11.567  11.016  -6.967
  974    H    GLU  51           HN       GLU  51 -10.063   7.211  -6.251
  975    HA   GLU  51           HA       GLU  51 -12.262   5.640  -5.342
  976    HB2  GLU  51           HB2      GLU  51  -9.491   4.824  -6.226
  977    HB3  GLU  51           HB3      GLU  51 -10.773   3.688  -5.843
  978    HG2  GLU  51           HG2      GLU  51 -10.582   5.604  -8.129
  979    HG3  GLU  51           HG3      GLU  51 -10.782   3.855  -8.162
  980    H    LEU  52           HN       LEU  52  -9.063   6.425  -4.068
  981    HA   LEU  52           HA       LEU  52  -9.248   4.646  -1.858
  982    HG   LEU  52           HG       LEU  52  -6.869   5.463  -3.876
  983    HB2  LEU  52           HB2      LEU  52  -7.521   7.092  -2.240
  984    HB3  LEU  52           HB3      LEU  52  -7.343   5.932  -0.939
  985   HD11  LEU  52          HD11      LEU  52  -5.059   5.259  -1.477
  986   HD12  LEU  52          HD12      LEU  52  -4.610   4.927  -3.151
  987   HD13  LEU  52          HD13      LEU  52  -5.059   6.561  -2.667
  988   HD21  LEU  52          HD21      LEU  52  -6.324   3.148  -3.269
  989   HD22  LEU  52          HD22      LEU  52  -6.888   3.457  -1.627
  990   HD23  LEU  52          HD23      LEU  52  -8.022   3.528  -2.976
  991    H    ILE  53           HN       ILE  53 -10.356   7.912  -2.433
  992    HA   ILE  53           HA       ILE  53 -10.922   8.631   0.229
  993    HB   ILE  53           HB       ILE  53 -12.362   9.392  -2.321
  994   HG12  ILE  53          HG12      ILE  53 -10.375  10.921  -0.623
  995   HG13  ILE  53          HG13      ILE  53  -9.992  10.111  -2.137
  996   HG21  ILE  53          HG21      ILE  53 -12.651  10.559   0.447
  997   HG22  ILE  53          HG22      ILE  53 -13.346  11.240  -1.023
  998   HG23  ILE  53          HG23      ILE  53 -13.877   9.661  -0.446
  999   HD11  ILE  53          HD11      ILE  53 -11.510  11.609  -3.322
 1000   HD12  ILE  53          HD12      ILE  53 -11.901  12.414  -1.802
 1001   HD13  ILE  53          HD13      ILE  53 -10.264  12.501  -2.451
 1002    H    ALA  54           HN       ALA  54 -12.941   7.022  -2.228
 1003    HA   ALA  54           HA       ALA  54 -15.105   6.479  -0.478
 1004    HB1  ALA  54           HB1      ALA  54 -14.295   5.024  -2.998
 1005    HB2  ALA  54           HB2      ALA  54 -15.862   4.915  -2.196
 1006    HB3  ALA  54           HB3      ALA  54 -15.344   6.440  -2.913
 1007    H    LEU  55           HN       LEU  55 -12.200   4.716  -1.351
 1008    HA   LEU  55           HA       LEU  55 -12.772   2.256  -0.125
 1009    HG   LEU  55           HG       LEU  55  -9.393   1.208  -1.219
 1010    HB2  LEU  55           HB2      LEU  55 -10.888   2.969  -1.757
 1011    HB3  LEU  55           HB3      LEU  55 -10.017   3.452  -0.318
 1012   HD11  LEU  55          HD11      LEU  55 -10.544   1.222   1.564
 1013   HD12  LEU  55          HD12      LEU  55  -9.365   0.069   0.938
 1014   HD13  LEU  55          HD13      LEU  55  -8.936   1.772   1.096
 1015   HD21  LEU  55          HD21      LEU  55 -10.897  -0.675  -0.851
 1016   HD22  LEU  55          HD22      LEU  55 -12.148   0.429  -0.278
 1017   HD23  LEU  55          HD23      LEU  55 -11.609   0.503  -1.955
 1018    H    LEU  56           HN       LEU  56 -11.042   5.119   1.093
 1019    HA   LEU  56           HA       LEU  56 -10.574   4.101   3.686
 1020    HG   LEU  56           HG       LEU  56 -11.239   7.195   4.857
 1021    HB2  LEU  56           HB2      LEU  56  -9.241   5.907   2.995
 1022    HB3  LEU  56           HB3      LEU  56 -10.626   6.856   2.496
 1023   HD11  LEU  56          HD11      LEU  56 -10.305   5.158   5.803
 1024   HD12  LEU  56          HD12      LEU  56  -8.675   5.728   5.448
 1025   HD13  LEU  56          HD13      LEU  56  -9.669   6.585   6.625
 1026   HD21  LEU  56          HD21      LEU  56  -9.402   8.709   5.418
 1027   HD22  LEU  56          HD22      LEU  56  -8.399   7.946   4.182
 1028   HD23  LEU  56          HD23      LEU  56  -9.850   8.833   3.716
 1029    H    ARG  57           HN       ARG  57 -13.253   5.874   2.251
 1030    HA   ARG  57           HA       ARG  57 -14.563   6.576   4.634
 1031    HE   ARG  57           HE       ARG  57 -17.736   6.383   1.058
 1032    HB2  ARG  57           HB2      ARG  57 -15.055   7.550   2.406
 1033    HB3  ARG  57           HB3      ARG  57 -15.818   6.035   1.941
 1034    HG2  ARG  57           HG2      ARG  57 -17.512   6.315   3.627
 1035    HG3  ARG  57           HG3      ARG  57 -16.710   7.760   4.240
 1036    HD2  ARG  57           HD2      ARG  57 -18.565   8.422   2.871
 1037    HD3  ARG  57           HD3      ARG  57 -17.065   8.843   2.050
 1038   HH11  ARG  57          HH12      ARG  57 -19.323   9.498   1.270
 1039   HH12  ARG  57          HH11      ARG  57 -20.253   9.271  -0.187
 1040   HH21  ARG  57          HH22      ARG  57 -18.941   6.074  -0.866
 1041   HH22  ARG  57          HH21      ARG  57 -20.015   7.332  -1.412
 1042    H    GLN  58           HN       GLN  58 -14.510   3.585   2.819
 1043    HA   GLN  58           HA       GLN  58 -16.792   2.397   4.014
 1044    HB2  GLN  58           HB2      GLN  58 -16.232   0.508   2.843
 1045    HB3  GLN  58           HB3      GLN  58 -15.275   1.676   1.946
 1046    HG2  GLN  58           HG2      GLN  58 -13.327   1.070   3.383
 1047    HG3  GLN  58           HG3      GLN  58 -14.314  -0.210   4.084
 1048   HE21  GLN  58          HE21      GLN  58 -11.842  -0.445   2.616
 1049   HE22  GLN  58          HE22      GLN  58 -12.180  -1.431   1.239
 1050    H    LEU  59           HN       LEU  59 -13.531   2.891   5.060
 1051    HA   LEU  59           HA       LEU  59 -13.681   0.881   7.158
 1052    HG   LEU  59           HG       LEU  59 -11.262   1.839   8.772
 1053    HB2  LEU  59           HB2      LEU  59 -11.606   1.263   5.828
 1054    HB3  LEU  59           HB3      LEU  59 -11.496   2.867   6.522
 1055   HD11  LEU  59          HD11      LEU  59 -10.758  -0.543   8.947
 1056   HD12  LEU  59          HD12      LEU  59 -12.388  -0.280   8.330
 1057   HD13  LEU  59          HD13      LEU  59 -11.094  -0.746   7.227
 1058   HD21  LEU  59          HD21      LEU  59  -9.298   2.530   7.532
 1059   HD22  LEU  59          HD22      LEU  59  -8.960   1.055   8.439
 1060   HD23  LEU  59          HD23      LEU  59  -9.250   0.975   6.699
 1061    H    GLN  60           HN       GLN  60 -14.702   4.000   6.747
 1062    HA   GLN  60           HA       GLN  60 -14.390   4.651   9.600
 1063    HB2  GLN  60           HB2      GLN  60 -14.806   6.463   7.218
 1064    HB3  GLN  60           HB3      GLN  60 -14.844   7.010   8.889
 1065    HG2  GLN  60           HG2      GLN  60 -12.516   6.258   9.162
 1066    HG3  GLN  60           HG3      GLN  60 -12.493   5.778   7.466
 1067   HE21  GLN  60          HE21      GLN  60 -14.114   8.053   6.629
 1068   HE22  GLN  60          HE22      GLN  60 -13.070   9.427   6.676
 1069    HA   PRO  61           HA       PRO  61 -18.835   4.219   9.832
 1070    HB2  PRO  61           HB2      PRO  61 -18.641   5.484  12.453
 1071    HB3  PRO  61           HB3      PRO  61 -19.073   3.821  12.051
 1072    HG2  PRO  61           HG2      PRO  61 -16.748   4.479  13.288
 1073    HG3  PRO  61           HG3      PRO  61 -16.910   3.077  12.216
 1074    HD2  PRO  61           HD2      PRO  61 -15.744   5.777  11.644
 1075    HD3  PRO  61           HD3      PRO  61 -15.164   4.170  11.153
 1076    H    SER  62           HN       SER  62 -16.976   7.062   9.966
 1077    HA   SER  62           HA       SER  62 -19.274   8.834  10.158
 1078    HG   SER  62           HG       SER  62 -17.935  11.363  10.941
 1079    HB2  SER  62           HB2      SER  62 -17.223   9.439  11.371
 1080    HB3  SER  62           HB3      SER  62 -16.324   9.447   9.855
 1081    H    SER  63           HN       SER  63 -19.943  10.191   8.535
 1082    HA   SER  63           HA       SER  63 -20.330  10.996   6.468
 1083    HG   SER  63           HG       SER  63 -17.759  11.670   7.412
 1084    HB2  SER  63           HB2      SER  63 -17.564   9.947   5.841
 1085    HB3  SER  63           HB3      SER  63 -18.525  10.966   4.765
 1086    H    GLN  64           HN       GLN  64 -22.044   9.610   6.191
 1087    HA   GLN  64           HA       GLN  64 -21.537   7.303   4.421
 1088    HB2  GLN  64           HB2      GLN  64 -23.626   7.910   6.441
 1089    HB3  GLN  64           HB3      GLN  64 -24.178   7.104   4.980
 1090    HG2  GLN  64           HG2      GLN  64 -23.729   5.300   6.275
 1091    HG3  GLN  64           HG3      GLN  64 -22.167   5.498   5.492
 1092   HE21  GLN  64          HE21      GLN  64 -21.542   7.862   7.174
 1093   HE22  GLN  64          HE22      GLN  64 -21.123   7.209   8.722
 1094    H    GLY  65           HN       GLY  65 -22.360  10.497   4.364
 1095    HA2  GLY  65           HA1      GLY  65 -22.759  11.526   2.191
 1096    HA3  GLY  65           HA2      GLY  65 -23.838  10.185   1.828
 1097    H    GLY  66           HN       GLY  66 -25.952  10.392   2.275
 1098    HA2  GLY  66           HA1      GLY  66 -27.746  11.087   3.704
 1099    HA3  GLY  66           HA2      GLY  66 -26.771  12.465   4.192
 1100    H    SER  67           HN       SER  67 -29.323  11.501   2.310
 1101    HA   SER  67           HA       SER  67 -28.967  13.708   0.412
 1102    HG   SER  67           HG       SER  67 -30.721  10.158  -0.142
 1103    HB2  SER  67           HB2      SER  67 -30.959  12.532  -0.732
 1104    HB3  SER  67           HB3      SER  67 -29.384  11.738  -0.794
 1105    H    LEU  68           HN       LEU  68 -29.775  15.540   1.230
 1106    HA   LEU  68           HA       LEU  68 -32.463  15.419   2.421
 1107    HG   LEU  68           HG       LEU  68 -32.661  18.347   3.252
 1108    HB2  LEU  68           HB2      LEU  68 -30.663  16.193   3.956
 1109    HB3  LEU  68           HB3      LEU  68 -30.352  17.530   2.864
 1110   HD11  LEU  68          HD11      LEU  68 -33.951  17.423   5.110
 1111   HD12  LEU  68          HD12      LEU  68 -33.708  16.228   3.835
 1112   HD13  LEU  68          HD13      LEU  68 -32.749  16.148   5.313
 1113   HD21  LEU  68          HD21      LEU  68 -30.824  19.269   4.548
 1114   HD22  LEU  68          HD22      LEU  68 -32.278  19.154   5.538
 1115   HD23  LEU  68          HD23      LEU  68 -30.985  17.971   5.731
 1116    H    LEU  69           HN       LEU  69 -33.695  15.709   0.635
 1117    HA   LEU  69           HA       LEU  69 -33.554  18.345  -0.613
 1118    HG   LEU  69           HG       LEU  69 -34.770  15.244  -2.312
 1119    HB2  LEU  69           HB2      LEU  69 -33.673  17.500  -2.870
 1120    HB3  LEU  69           HB3      LEU  69 -32.240  16.869  -2.084
 1121   HD11  LEU  69          HD11      LEU  69 -32.455  15.357  -4.242
 1122   HD12  LEU  69          HD12      LEU  69 -33.771  14.182  -4.281
 1123   HD13  LEU  69          HD13      LEU  69 -34.105  15.891  -4.564
 1124   HD21  LEU  69          HD21      LEU  69 -31.875  14.490  -1.922
 1125   HD22  LEU  69          HD22      LEU  69 -33.128  14.464  -0.683
 1126   HD23  LEU  69          HD23      LEU  69 -33.223  13.361  -2.056
 1127    H    ALA  70           HN       ALA  70 -35.304  15.990   0.857
 1128    HA   ALA  70           HA       ALA  70 -37.766  16.492  -0.619
 1129    HB1  ALA  70           HB1      ALA  70 -37.246  14.181   0.023
 1130    HB2  ALA  70           HB2      ALA  70 -37.312  14.649   1.722
 1131    HB3  ALA  70           HB3      ALA  70 -38.764  14.744   0.726
 1132    HA   PRO  71           HA       PRO  71 -39.105  18.255   3.613
 1133    HB2  PRO  71           HB2      PRO  71 -36.883  18.240   5.477
 1134    HB3  PRO  71           HB3      PRO  71 -38.453  17.444   5.622
 1135    HG2  PRO  71           HG2      PRO  71 -36.112  16.087   5.300
 1136    HG3  PRO  71           HG3      PRO  71 -37.680  15.477   4.741
 1137    HD2  PRO  71           HD2      PRO  71 -35.511  16.840   3.182
 1138    HD3  PRO  71           HD3      PRO  71 -36.495  15.426   2.742
 1139    H    VAL  72           HN       VAL  72 -39.296  20.331   3.328
 1140    HA   VAL  72           HA       VAL  72 -38.829  22.432   2.597
 1141    HB   VAL  72           HB       VAL  72 -38.837  22.671   4.999
 1142   HG11  VAL  72          HG11      VAL  72 -37.039  21.164   5.618
 1143   HG12  VAL  72          HG12      VAL  72 -35.856  22.267   4.917
 1144   HG13  VAL  72          HG13      VAL  72 -36.795  22.760   6.325
 1145   HG21  VAL  72          HG21      VAL  72 -38.478  24.662   3.685
 1146   HG22  VAL  72          HG22      VAL  72 -37.567  24.762   5.192
 1147   HG23  VAL  72          HG23      VAL  72 -36.736  24.380   3.685
 1148    H    ALA  73           HN       ALA  73 -37.802  21.675   0.641
 1149    HA   ALA  73           HA       ALA  73 -34.934  21.735   0.468
 1150    HB1  ALA  73           HB1      ALA  73 -36.252  20.313  -1.028
 1151    HB2  ALA  73           HB2      ALA  73 -36.993  21.747  -1.740
 1152    HB3  ALA  73           HB3      ALA  73 -35.264  21.459  -1.934
 1153    H    ARG  74           HN       ARG  74 -34.515  23.805   1.362
 1154    HA   ARG  74           HA       ARG  74 -34.856  25.975  -0.599
 1155    HE   ARG  74           HE       ARG  74 -37.021  29.000   0.840
 1156    HB2  ARG  74           HB2      ARG  74 -34.910  26.229   2.421
 1157    HB3  ARG  74           HB3      ARG  74 -34.932  27.578   1.294
 1158    HG2  ARG  74           HG2      ARG  74 -37.056  25.444   1.467
 1159    HG3  ARG  74           HG3      ARG  74 -37.156  27.039   2.217
 1160    HD2  ARG  74           HD2      ARG  74 -36.801  26.569  -0.741
 1161    HD3  ARG  74           HD3      ARG  74 -38.358  26.853   0.036
 1162   HH11  ARG  74          HH12      ARG  74 -37.175  27.522  -2.342
 1163   HH12  ARG  74          HH11      ARG  74 -36.943  29.028  -3.183
 1164   HH21  ARG  74          HH22      ARG  74 -36.734  30.979  -0.272
 1165   HH22  ARG  74          HH21      ARG  74 -36.707  30.992  -2.011
 1166    H    ASN  75           HN       ASN  75 -33.109  27.616  -0.475
 1167    HA   ASN  75           HA       ASN  75 -30.600  26.338  -0.591
 1168    HB2  ASN  75           HB2      ASN  75 -31.243  28.368  -1.894
 1169    HB3  ASN  75           HB3      ASN  75 -31.131  29.309  -0.412
 1170   HD21  ASN  75          HD21      ASN  75 -29.359  27.517  -2.812
 1171   HD22  ASN  75          HD22      ASN  75 -27.789  28.149  -2.414
 1172    H    GLY  76           HN       GLY  76 -31.936  28.623   1.790
 1173    HA2  GLY  76           HA1      GLY  76 -29.661  28.056   3.555
 1174    HA3  GLY  76           HA2      GLY  76 -30.854  29.331   3.779
 1175    H    ARG  77           HN       ARG  77 -32.728  26.948   2.940
 1176    HA   ARG  77           HA       ARG  77 -34.103  25.446   3.911
 1177    HE   ARG  77           HE       ARG  77 -30.604  24.020   6.705
 1178    HB2  ARG  77           HB2      ARG  77 -32.037  25.262   6.113
 1179    HB3  ARG  77           HB3      ARG  77 -33.404  24.177   5.895
 1180    HG2  ARG  77           HG2      ARG  77 -32.454  23.587   3.651
 1181    HG3  ARG  77           HG3      ARG  77 -31.015  24.505   4.101
 1182    HD2  ARG  77           HD2      ARG  77 -32.130  22.067   5.479
 1183    HD3  ARG  77           HD3      ARG  77 -30.631  22.177   4.562
 1184   HH11  ARG  77          HH12      ARG  77 -30.240  20.613   5.989
 1185   HH12  ARG  77          HH11      ARG  77 -29.351  20.265   7.439
 1186   HH21  ARG  77          HH22      ARG  77 -29.413  23.566   8.623
 1187   HH22  ARG  77          HH21      ARG  77 -28.879  21.936   8.927
 1188    H    LEU  78           HN       LEU  78 -32.688  27.441   6.494
 1189    HA   LEU  78           HA       LEU  78 -33.581  28.770   8.084
 1190    HG   LEU  78           HG       LEU  78 -33.985  29.811   5.165
 1191    HB2  LEU  78           HB2      LEU  78 -35.968  28.831   6.234
 1192    HB3  LEU  78           HB3      LEU  78 -35.745  29.883   7.621
 1193   HD11  LEU  78          HD11      LEU  78 -36.152  30.783   4.689
 1194   HD12  LEU  78          HD12      LEU  78 -36.015  31.837   6.096
 1195   HD13  LEU  78          HD13      LEU  78 -34.917  32.042   4.732
 1196   HD21  LEU  78          HD21      LEU  78 -32.924  31.795   6.129
 1197   HD22  LEU  78          HD22      LEU  78 -33.911  31.620   7.579
 1198   HD23  LEU  78          HD23      LEU  78 -32.722  30.385   7.169
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  25.078  -2.278   7.550
    2    H2   GLY   1           H2       GLY   1  26.000  -1.382   6.438
    3    H3   GLY   1           H3       GLY   1  24.578  -2.159   5.936
    4    HA2  GLY   1           HA2      GLY   1  24.269   0.243   6.213
    5    HA3  GLY   1           HA1      GLY   1  23.223  -0.718   7.249
    6    HA   PRO   2           HA       PRO   2  24.951   1.764  10.545
    7    HB2  PRO   2           HB2      PRO   2  23.481   0.115  12.415
    8    HB3  PRO   2           HB3      PRO   2  23.154   1.777  11.925
    9    HG2  PRO   2           HG2      PRO   2  21.544  -0.335  11.286
   10    HG3  PRO   2           HG3      PRO   2  21.664   1.145  10.318
   11    HD2  PRO   2           HD2      PRO   2  22.959  -1.518   9.880
   12    HD3  PRO   2           HD3      PRO   2  22.232  -0.410   8.695
   13    H    LEU   3           HN       LEU   3  25.811   1.165  12.867
   14    HA   LEU   3           HA       LEU   3  27.866  -0.821  12.492
   15    HG   LEU   3           HG       LEU   3  27.987   2.257  13.017
   16    HB2  LEU   3           HB2      LEU   3  27.171   0.881  14.887
   17    HB3  LEU   3           HB3      LEU   3  28.593  -0.135  14.761
   18   HD11  LEU   3          HD11      LEU   3  28.568   2.870  15.308
   19   HD12  LEU   3          HD12      LEU   3  30.025   1.881  15.205
   20   HD13  LEU   3          HD13      LEU   3  29.853   3.305  14.181
   21   HD21  LEU   3          HD21      LEU   3  30.250   1.933  12.155
   22   HD22  LEU   3          HD22      LEU   3  30.418   0.474  13.129
   23   HD23  LEU   3          HD23      LEU   3  29.236   0.531  11.822
   24    H    GLY   4           HN       GLY   4  24.703  -0.872  13.592
   25    HA2  GLY   4           HA1      GLY   4  25.176  -3.378  15.078
   26    HA3  GLY   4           HA2      GLY   4  23.801  -2.314  15.345
   27    H    SER   5           HN       SER   5  23.764  -5.147  14.691
   28    HA   SER   5           HA       SER   5  23.124  -5.540  11.963
   29    HG   SER   5           HG       SER   5  24.318  -8.131  12.832
   30    HB2  SER   5           HB2      SER   5  22.276  -7.177  14.366
   31    HB3  SER   5           HB3      SER   5  22.268  -7.714  12.687
   32    H    SER   6           HN       SER   6  21.622  -4.148  11.199
   33    HA   SER   6           HA       SER   6  18.880  -4.635  11.679
   34    HG   SER   6           HG       SER   6  21.180  -2.392  12.689
   35    HB2  SER   6           HB2      SER   6  18.427  -2.227  12.493
   36    HB3  SER   6           HB3      SER   6  19.026  -3.388  13.679
   37    H    ALA   7           HN       ALA   7  17.507  -3.175  10.380
   38    HA   ALA   7           HA       ALA   7  16.957  -1.939   8.562
   39    HB1  ALA   7           HB1      ALA   7  18.579  -0.263   9.319
   40    HB2  ALA   7           HB2      ALA   7  19.852  -1.106   8.438
   41    HB3  ALA   7           HB3      ALA   7  18.513  -0.370   7.559
   42    H    GLY   8           HN       GLY   8  20.159  -3.407   8.003
   43    HA2  GLY   8           HA1      GLY   8  19.809  -3.985   5.296
   44    HA3  GLY   8           HA2      GLY   8  20.910  -4.824   6.380
   45    H    ALA   9           HN       ALA   9  19.178  -6.013   8.144
   46    HA   ALA   9           HA       ALA   9  18.310  -8.300   6.790
   47    HB1  ALA   9           HB1      ALA   9  17.235  -8.934   8.880
   48    HB2  ALA   9           HB2      ALA   9  18.834  -8.252   9.185
   49    HB3  ALA   9           HB3      ALA   9  17.391  -7.282   9.478
   50    H    LEU  10           HN       LEU  10  16.538  -5.428   7.832
   51    HA   LEU  10           HA       LEU  10  13.965  -6.354   7.080
   52    HG   LEU  10           HG       LEU  10  13.004  -3.467   6.099
   53    HB2  LEU  10           HB2      LEU  10  14.200  -4.560   8.648
   54    HB3  LEU  10           HB3      LEU  10  15.079  -3.582   7.489
   55   HD11  LEU  10          HD11      LEU  10  11.923  -5.489   6.911
   56   HD12  LEU  10          HD12      LEU  10  11.744  -4.764   8.509
   57   HD13  LEU  10          HD13      LEU  10  10.881  -4.082   7.128
   58   HD21  LEU  10          HD21      LEU  10  13.608  -1.660   7.614
   59   HD22  LEU  10          HD22      LEU  10  11.856  -1.866   7.543
   60   HD23  LEU  10          HD23      LEU  10  12.758  -2.467   8.934
   61    H    LEU  11           HN       LEU  11  16.332  -4.271   5.494
   62    HA   LEU  11           HA       LEU  11  14.920  -3.814   3.121
   63    HG   LEU  11           HG       LEU  11  17.949  -2.025   1.909
   64    HB2  LEU  11           HB2      LEU  11  16.914  -2.569   3.913
   65    HB3  LEU  11           HB3      LEU  11  17.907  -3.966   3.571
   66   HD11  LEU  11          HD11      LEU  11  17.350  -4.790   0.881
   67   HD12  LEU  11          HD12      LEU  11  18.192  -3.513   0.005
   68   HD13  LEU  11          HD13      LEU  11  18.916  -4.214   1.454
   69   HD21  LEU  11          HD21      LEU  11  15.574  -1.601   1.758
   70   HD22  LEU  11          HD22      LEU  11  16.190  -2.091   0.180
   71   HD23  LEU  11          HD23      LEU  11  15.288  -3.238   1.169
   72    H    ALA  12           HN       ALA  12  17.220  -6.351   4.021
   73    HA   ALA  12           HA       ALA  12  17.424  -7.621   1.548
   74    HB1  ALA  12           HB1      ALA  12  17.630  -8.890   4.274
   75    HB2  ALA  12           HB2      ALA  12  18.274  -9.536   2.764
   76    HB3  ALA  12           HB3      ALA  12  18.932  -8.044   3.438
   77    H    HIS  13           HN       HIS  13  15.185  -8.357   4.260
   78    HA   HIS  13           HA       HIS  13  14.063 -10.560   2.836
   79    HD1  HIS  13           HD1      HIS  13  10.494  -9.934   4.698
   80    HD2  HIS  13           HD2      HIS  13  13.432  -7.616   6.504
   81    HE1  HIS  13           HE1      HIS  13   9.277  -8.067   5.858
   82    HE2  HIS  13           HE2      HIS  13  11.049  -6.830   7.130
   83    HB2  HIS  13           HB2      HIS  13  12.815 -11.008   4.720
   84    HB3  HIS  13           HB3      HIS  13  14.141 -10.093   5.426
   85    H    ALA  14           HN       ALA  14  13.368  -7.163   3.036
   86    HA   ALA  14           HA       ALA  14  10.754  -7.280   1.909
   87    HB1  ALA  14           HB1      ALA  14  11.022  -4.883   1.539
   88    HB2  ALA  14           HB2      ALA  14  11.554  -5.332   3.160
   89    HB3  ALA  14           HB3      ALA  14  12.743  -5.011   1.899
   90    H    ALA  15           HN       ALA  15  13.990  -6.684   0.564
   91    HA   ALA  15           HA       ALA  15  13.177  -6.446  -2.130
   92    HB1  ALA  15           HB1      ALA  15  15.356  -5.670  -1.315
   93    HB2  ALA  15           HB2      ALA  15  15.850  -7.341  -1.046
   94    HB3  ALA  15           HB3      ALA  15  15.529  -6.770  -2.683
   95    H    SER  16           HN       SER  16  14.124  -9.193  -0.142
   96    HA   SER  16           HA       SER  16  14.304 -11.141  -2.135
   97    HG   SER  16           HG       SER  16  14.636 -13.286  -1.100
   98    HB2  SER  16           HB2      SER  16  15.038 -11.438   0.221
   99    HB3  SER  16           HB3      SER  16  13.350 -11.511   0.716
  100    H    LEU  17           HN       LEU  17  11.490 -10.040  -0.258
  101    HA   LEU  17           HA       LEU  17   9.727 -11.883  -1.604
  102    HG   LEU  17           HG       LEU  17  10.320 -11.199   1.454
  103    HB2  LEU  17           HB2      LEU  17   9.082  -9.531   0.171
  104    HB3  LEU  17           HB3      LEU  17   7.945 -10.757  -0.352
  105   HD11  LEU  17          HD11      LEU  17   8.537  -9.981   2.533
  106   HD12  LEU  17          HD12      LEU  17   7.361 -11.182   1.995
  107   HD13  LEU  17          HD13      LEU  17   8.615 -11.632   3.153
  108   HD21  LEU  17          HD21      LEU  17   9.859 -13.144   0.039
  109   HD22  LEU  17          HD22      LEU  17   9.470 -13.451   1.732
  110   HD23  LEU  17          HD23      LEU  17   8.178 -13.127   0.575
  111    H    GLY  18           HN       GLY  18  10.791  -8.611  -2.021
  112    HA2  GLY  18           HA1      GLY  18  10.640  -7.462  -4.061
  113    HA3  GLY  18           HA2      GLY  18   9.333  -8.521  -4.544
  114    H    VAL  19           HN       VAL  19   9.360  -6.895  -1.441
  115    HA   VAL  19           HA       VAL  19   6.904  -5.540  -2.047
  116    HB   VAL  19           HB       VAL  19   8.733  -5.154   0.339
  117   HG11  VAL  19          HG11      VAL  19   6.764  -4.188   1.425
  118   HG12  VAL  19          HG12      VAL  19   7.242  -3.267  -0.001
  119   HG13  VAL  19          HG13      VAL  19   5.856  -4.357  -0.079
  120   HG21  VAL  19          HG21      VAL  19   7.035  -6.535   1.536
  121   HG22  VAL  19          HG22      VAL  19   6.333  -6.937  -0.033
  122   HG23  VAL  19          HG23      VAL  19   7.989  -7.424   0.341
  123    H    ARG  20           HN       ARG  20   6.840  -3.802  -3.273
  124    HA   ARG  20           HA       ARG  20   9.087  -1.880  -3.162
  125    HE   ARG  20           HE       ARG  20   9.511  -1.875  -7.489
  126    HB2  ARG  20           HB2      ARG  20   7.444  -2.724  -5.559
  127    HB3  ARG  20           HB3      ARG  20   8.640  -1.434  -5.563
  128    HG2  ARG  20           HG2      ARG  20  10.418  -2.925  -5.286
  129    HG3  ARG  20           HG3      ARG  20   9.353  -4.234  -4.768
  130    HD2  ARG  20           HD2      ARG  20  10.203  -4.524  -7.071
  131    HD3  ARG  20           HD3      ARG  20   8.446  -4.441  -6.981
  132   HH11  ARG  20          HH12      ARG  20   8.971  -4.974  -9.041
  133   HH12  ARG  20          HH11      ARG  20   8.823  -4.284 -10.636
  134   HH21  ARG  20          HH22      ARG  20   9.317  -0.970  -9.583
  135   HH22  ARG  20          HH21      ARG  20   9.055  -2.020 -10.945
  136    H    LEU  21           HN       LEU  21   8.543   0.207  -2.811
  137    HA   LEU  21           HA       LEU  21   5.757   1.034  -3.234
  138    HG   LEU  21           HG       LEU  21   4.876   0.114  -1.151
  139    HB2  LEU  21           HB2      LEU  21   7.443   1.613  -0.801
  140    HB3  LEU  21           HB3      LEU  21   5.981   2.491  -1.191
  141   HD11  LEU  21          HD11      LEU  21   5.911  -1.383   0.468
  142   HD12  LEU  21          HD12      LEU  21   6.953  -1.139  -0.933
  143   HD13  LEU  21          HD13      LEU  21   7.303  -0.305   0.582
  144   HD21  LEU  21          HD21      LEU  21   4.353   1.962   0.361
  145   HD22  LEU  21          HD22      LEU  21   4.380   0.417   1.210
  146   HD23  LEU  21          HD23      LEU  21   5.737   1.533   1.365
  147    H    TRP  22           HN       TRP  22   5.591   2.792  -4.422
  148    HA   TRP  22           HA       TRP  22   7.537   4.924  -4.198
  149    HD1  TRP  22           HD1      TRP  22   6.432   5.125  -8.620
  150    HE1  TRP  22           HE1      TRP  22   5.130   3.366  -9.971
  151    HE3  TRP  22           HE3      TRP  22   7.178   1.073  -5.596
  152    HZ2  TRP  22           HZ2      TRP  22   4.491   0.617  -9.768
  153    HZ3  TRP  22           HZ3      TRP  22   6.180  -1.080  -6.239
  154    HH2  TRP  22           HH2      TRP  22   4.861  -1.301  -8.272
  155    HB2  TRP  22           HB2      TRP  22   8.013   5.059  -6.584
  156    HB3  TRP  22           HB3      TRP  22   8.478   3.473  -5.982
  157    H    VAL  23           HN       VAL  23   6.677   6.938  -4.868
  158    HA   VAL  23           HA       VAL  23   3.765   6.853  -4.930
  159    HB   VAL  23           HB       VAL  23   4.741   8.257  -3.201
  160   HG11  VAL  23          HG11      VAL  23   5.971  10.310  -3.764
  161   HG12  VAL  23          HG12      VAL  23   6.837   8.849  -4.236
  162   HG13  VAL  23          HG13      VAL  23   5.999   9.810  -5.454
  163   HG21  VAL  23          HG21      VAL  23   3.545  10.355  -3.667
  164   HG22  VAL  23          HG22      VAL  23   3.379   9.872  -5.356
  165   HG23  VAL  23          HG23      VAL  23   2.591   8.932  -4.086
  166    H    GLU  24           HN       GLU  24   2.590   7.340  -6.626
  167    HA   GLU  24           HA       GLU  24   3.887   8.693  -8.899
  168    HB2  GLU  24           HB2      GLU  24   3.411   6.198  -9.194
  169    HB3  GLU  24           HB3      GLU  24   1.705   6.619  -9.151
  170    HG2  GLU  24           HG2      GLU  24   2.405   6.403 -11.431
  171    HG3  GLU  24           HG3      GLU  24   2.058   8.099 -11.099
  172    H    GLY  25           HN       GLY  25   3.058  10.680  -8.937
  173    HA2  GLY  25           HA1      GLY  25   1.509  12.375  -8.992
  174    HA3  GLY  25           HA2      GLY  25   0.253  11.153  -9.149
  175    H    GLU  26           HN       GLU  26  -1.040  10.800  -7.465
  176    HA   GLU  26           HA       GLU  26  -0.194  11.841  -4.843
  177    HB2  GLU  26           HB2      GLU  26  -2.514  12.265  -4.319
  178    HB3  GLU  26           HB3      GLU  26  -2.103  13.067  -5.828
  179    HG2  GLU  26           HG2      GLU  26  -3.479  10.409  -5.656
  180    HG3  GLU  26           HG3      GLU  26  -4.325  11.950  -5.793
  181    H    ARG  27           HN       ARG  27  -0.700   9.095  -6.586
  182    HA   ARG  27           HA       ARG  27  -1.721   7.541  -4.316
  183    HE   ARG  27           HE       ARG  27  -4.621   3.936  -5.080
  184    HB2  ARG  27           HB2      ARG  27  -2.981   7.168  -6.324
  185    HB3  ARG  27           HB3      ARG  27  -1.519   6.910  -7.263
  186    HG2  ARG  27           HG2      ARG  27  -2.631   4.804  -6.856
  187    HG3  ARG  27           HG3      ARG  27  -1.093   4.839  -5.995
  188    HD2  ARG  27           HD2      ARG  27  -2.072   4.761  -3.973
  189    HD3  ARG  27           HD3      ARG  27  -3.408   5.804  -4.467
  190   HH11  ARG  27          HH12      ARG  27  -1.339   2.974  -4.265
  191   HH12  ARG  27          HH11      ARG  27  -1.709   1.276  -4.311
  192   HH21  ARG  27          HH22      ARG  27  -5.081   1.692  -5.117
  193   HH22  ARG  27          HH21      ARG  27  -3.811   0.553  -4.789
  194    H    LEU  28           HN       LEU  28  -0.220   6.674  -3.067
  195    HA   LEU  28           HA       LEU  28   2.399   6.008  -3.950
  196    HG   LEU  28           HG       LEU  28   3.862   5.202  -2.156
  197    HB2  LEU  28           HB2      LEU  28   1.688   6.482  -1.566
  198    HB3  LEU  28           HB3      LEU  28   0.930   4.902  -1.551
  199   HD11  LEU  28          HD11      LEU  28   3.509   6.337  -0.049
  200   HD12  LEU  28          HD12      LEU  28   2.580   4.967   0.560
  201   HD13  LEU  28          HD13      LEU  28   4.302   4.786   0.223
  202   HD21  LEU  28          HD21      LEU  28   3.959   2.918  -1.299
  203   HD22  LEU  28          HD22      LEU  28   2.224   2.960  -0.981
  204   HD23  LEU  28          HD23      LEU  28   2.819   3.049  -2.640
  205    H    ARG  29           HN       ARG  29   2.917   4.382  -5.226
  206    HA   ARG  29           HA       ARG  29   0.959   2.326  -5.822
  207    HE   ARG  29           HE       ARG  29   1.170   1.644  -8.978
  208    HB2  ARG  29           HB2      ARG  29   3.735   2.703  -6.957
  209    HB3  ARG  29           HB3      ARG  29   2.459   1.688  -7.613
  210    HG2  ARG  29           HG2      ARG  29   2.298   4.685  -7.395
  211    HG3  ARG  29           HG3      ARG  29   2.798   3.810  -8.843
  212    HD2  ARG  29           HD2      ARG  29   0.123   3.614  -7.465
  213    HD3  ARG  29           HD3      ARG  29   0.456   4.450  -8.982
  214   HH11  ARG  29          HH12      ARG  29  -1.355   3.990  -9.684
  215   HH12  ARG  29          HH11      ARG  29  -2.198   2.919 -10.761
  216   HH21  ARG  29          HH22      ARG  29   0.065   0.262 -10.379
  217   HH22  ARG  29          HH21      ARG  29  -1.388   0.794 -11.162
  218    H    PHE  30           HN       PHE  30   1.032   0.301  -5.066
  219    HA   PHE  30           HA       PHE  30   3.355  -0.447  -3.417
  220    HD1  PHE  30           HD1      PHE  30   3.289  -2.884  -2.225
  221    HD2  PHE  30           HD2      PHE  30   0.928   0.067  -0.246
  222    HE1  PHE  30           HE1      PHE  30   4.299  -3.517  -0.086
  223    HE2  PHE  30           HE2      PHE  30   1.943  -0.570   1.897
  224    HZ   PHE  30           HZ       PHE  30   3.635  -2.363   1.978
  225    HB2  PHE  30           HB2      PHE  30   0.820  -0.096  -2.543
  226    HB3  PHE  30           HB3      PHE  30   0.747  -1.789  -3.003
  227    H    GLN  31           HN       GLN  31   4.416  -2.229  -3.990
  228    HA   GLN  31           HA       GLN  31   3.078  -4.138  -5.791
  229    HB2  GLN  31           HB2      GLN  31   4.813  -2.882  -6.998
  230    HB3  GLN  31           HB3      GLN  31   5.998  -3.331  -5.777
  231    HG2  GLN  31           HG2      GLN  31   6.443  -4.806  -7.485
  232    HG3  GLN  31           HG3      GLN  31   5.414  -5.755  -6.420
  233   HE21  GLN  31          HE21      GLN  31   3.030  -4.173  -7.356
  234   HE22  GLN  31          HE22      GLN  31   2.648  -4.840  -8.907
  235    H    ALA  32           HN       ALA  32   2.640  -5.879  -4.609
  236    HA   ALA  32           HA       ALA  32   4.790  -7.177  -3.155
  237    HB1  ALA  32           HB1      ALA  32   3.506  -7.425  -1.102
  238    HB2  ALA  32           HB2      ALA  32   3.767  -5.719  -1.469
  239    HB3  ALA  32           HB3      ALA  32   2.200  -6.458  -1.788
  240    HA   PRO  33           HA       PRO  33   2.652 -10.609  -5.022
  241    HB2  PRO  33           HB2      PRO  33   4.166 -12.566  -3.849
  242    HB3  PRO  33           HB3      PRO  33   4.676 -11.652  -5.270
  243    HG2  PRO  33           HG2      PRO  33   5.477 -11.335  -2.425
  244    HG3  PRO  33           HG3      PRO  33   6.438 -11.109  -3.897
  245    HD2  PRO  33           HD2      PRO  33   5.366  -9.073  -2.416
  246    HD3  PRO  33           HD3      PRO  33   5.767  -8.941  -4.134
  247    HA   PRO  34           HA       PRO  34  -0.301 -11.826  -2.056
  248    HB2  PRO  34           HB2      PRO  34  -0.816 -14.420  -2.827
  249    HB3  PRO  34           HB3      PRO  34  -1.478 -12.989  -3.617
  250    HG2  PRO  34           HG2      PRO  34   0.800 -14.720  -4.427
  251    HG3  PRO  34           HG3      PRO  34  -0.392 -13.881  -5.435
  252    HD2  PRO  34           HD2      PRO  34   2.163 -12.999  -5.080
  253    HD3  PRO  34           HD3      PRO  34   0.804 -11.914  -5.415
  254    H    GLY  35           HN       GLY  35   0.104 -12.190   0.014
  255    HA2  GLY  35           HA1      GLY  35   0.220 -13.941   1.701
  256    HA3  GLY  35           HA2      GLY  35   1.487 -14.688   0.741
  257    H    VAL  36           HN       VAL  36   2.468 -11.709   0.383
  258    HA   VAL  36           HA       VAL  36   4.169 -11.883   2.767
  259    HB   VAL  36           HB       VAL  36   5.740 -10.477   1.641
  260   HG11  VAL  36          HG11      VAL  36   5.701 -12.903   1.179
  261   HG12  VAL  36          HG12      VAL  36   4.751 -12.581  -0.271
  262   HG13  VAL  36          HG13      VAL  36   6.397 -11.955  -0.138
  263   HG21  VAL  36          HG21      VAL  36   5.395  -9.663  -0.629
  264   HG22  VAL  36          HG22      VAL  36   3.752 -10.307  -0.609
  265   HG23  VAL  36          HG23      VAL  36   4.199  -8.998   0.485
  266    H    MET  37           HN       MET  37   1.521 -10.196   1.751
  267    HA   MET  37           HA       MET  37   2.308  -7.606   2.781
  268    HB2  MET  37           HB2      MET  37   0.837  -7.997   0.719
  269    HB3  MET  37           HB3      MET  37  -0.455  -8.370   1.851
  270    HG2  MET  37           HG2      MET  37  -0.854  -6.155   1.450
  271    HG3  MET  37           HG3      MET  37   0.163  -6.052   2.882
  272    HE1  MET  37           HE1      MET  37   2.778  -5.513   2.781
  273    HE2  MET  37           HE2      MET  37   3.181  -6.611   1.456
  274    HE3  MET  37           HE3      MET  37   3.611  -4.902   1.355
  275    H    THR  38           HN       THR  38   2.012 -10.017   4.535
  276    HA   THR  38           HA       THR  38  -0.287  -9.898   6.115
  277    HB   THR  38           HB       THR  38   1.247 -10.902   7.905
  278    HG1  THR  38           HG1      THR  38   3.280 -11.666   6.824
  279   HG21  THR  38          HG21      THR  38   1.462 -13.030   6.679
  280   HG22  THR  38          HG22      THR  38   1.119 -12.182   5.170
  281   HG23  THR  38          HG23      THR  38  -0.114 -12.281   6.427
  282    HA   PRO  39           HA       PRO  39  -0.187  -6.127   8.361
  283    HB2  PRO  39           HB2      PRO  39  -0.727  -7.819  10.758
  284    HB3  PRO  39           HB3      PRO  39  -1.581  -6.384  10.180
  285    HG2  PRO  39           HG2      PRO  39  -2.624  -8.796   9.818
  286    HG3  PRO  39           HG3      PRO  39  -2.730  -7.570   8.542
  287    HD2  PRO  39           HD2      PRO  39  -0.951  -9.959   8.736
  288    HD3  PRO  39           HD3      PRO  39  -1.720  -9.237   7.308
  289    H    GLU  40           HN       GLU  40   1.466  -8.868   9.930
  290    HA   GLU  40           HA       GLU  40   3.127  -7.374  11.620
  291    HB2  GLU  40           HB2      GLU  40   2.893  -9.810  11.810
  292    HB3  GLU  40           HB3      GLU  40   3.715 -10.019  10.270
  293    HG2  GLU  40           HG2      GLU  40   5.724  -8.963  11.241
  294    HG3  GLU  40           HG3      GLU  40   4.896  -8.887  12.794
  295    H    LEU  41           HN       LEU  41   3.660  -8.511   8.293
  296    HA   LEU  41           HA       LEU  41   6.281  -7.509   8.032
  297    HG   LEU  41           HG       LEU  41   7.159  -7.373   5.854
  298    HB2  LEU  41           HB2      LEU  41   5.160  -9.168   6.505
  299    HB3  LEU  41           HB3      LEU  41   4.271  -7.813   5.824
  300   HD11  LEU  41          HD11      LEU  41   7.205  -9.772   5.506
  301   HD12  LEU  41          HD12      LEU  41   6.041  -9.614   4.188
  302   HD13  LEU  41          HD13      LEU  41   7.652  -8.914   4.029
  303   HD21  LEU  41          HD21      LEU  41   5.583  -5.937   4.679
  304   HD22  LEU  41          HD22      LEU  41   6.703  -6.695   3.543
  305   HD23  LEU  41          HD23      LEU  41   5.054  -7.302   3.696
  306    H    GLN  42           HN       GLN  42   3.126  -6.178   7.231
  307    HA   GLN  42           HA       GLN  42   3.938  -3.820   6.000
  308    HB2  GLN  42           HB2      GLN  42   1.599  -4.703   6.143
  309    HB3  GLN  42           HB3      GLN  42   1.556  -4.175   7.817
  310    HG2  GLN  42           HG2      GLN  42   0.458  -2.533   6.483
  311    HG3  GLN  42           HG3      GLN  42   1.979  -1.878   7.078
  312   HE21  GLN  42          HE21      GLN  42   1.640  -4.094   4.359
  313   HE22  GLN  42          HE22      GLN  42   2.166  -2.976   3.158
  314    H    SER  43           HN       SER  43   3.497  -4.599   9.412
  315    HA   SER  43           HA       SER  43   4.132  -1.986  10.366
  316    HG   SER  43           HG       SER  43   4.885  -2.631  13.096
  317    HB2  SER  43           HB2      SER  43   2.837  -3.875  11.567
  318    HB3  SER  43           HB3      SER  43   4.427  -4.515  11.978
  319    H    ARG  44           HN       ARG  44   5.981  -4.857   9.548
  320    HA   ARG  44           HA       ARG  44   8.426  -4.124  10.781
  321    HE   ARG  44           HE       ARG  44  10.612  -7.611  10.919
  322    HB2  ARG  44           HB2      ARG  44   7.847  -5.856   8.377
  323    HB3  ARG  44           HB3      ARG  44   9.446  -5.678   9.086
  324    HG2  ARG  44           HG2      ARG  44   7.018  -6.715  10.522
  325    HG3  ARG  44           HG3      ARG  44   8.305  -7.709   9.829
  326    HD2  ARG  44           HD2      ARG  44   8.709  -5.598  11.944
  327    HD3  ARG  44           HD3      ARG  44   8.550  -7.318  12.262
  328   HH11  ARG  44          HH12      ARG  44   9.913  -4.503  12.377
  329   HH12  ARG  44          HH11      ARG  44  11.573  -3.993  12.384
  330   HH21  ARG  44          HH22      ARG  44  12.807  -6.934  10.920
  331   HH22  ARG  44          HH21      ARG  44  13.213  -5.360  11.548
  332    H    LEU  45           HN       LEU  45   7.038  -3.496   7.631
  333    HA   LEU  45           HA       LEU  45   9.134  -2.088   6.427
  334    HG   LEU  45           HG       LEU  45   6.788  -3.902   5.564
  335    HB2  LEU  45           HB2      LEU  45   6.167  -1.535   6.187
  336    HB3  LEU  45           HB3      LEU  45   7.400  -0.983   5.070
  337   HD11  LEU  45          HD11      LEU  45   5.809  -2.089   3.366
  338   HD12  LEU  45          HD12      LEU  45   5.630  -3.847   3.397
  339   HD13  LEU  45          HD13      LEU  45   4.822  -2.849   4.614
  340   HD21  LEU  45          HD21      LEU  45   8.307  -2.511   3.367
  341   HD22  LEU  45          HD22      LEU  45   9.019  -3.457   4.676
  342   HD23  LEU  45          HD23      LEU  45   7.988  -4.243   3.474
  343    H    GLY  46           HN       GLY  46   6.924  -1.168   8.936
  344    HA2  GLY  46           HA1      GLY  46   7.417   0.363  10.613
  345    HA3  GLY  46           HA2      GLY  46   8.724   0.994   9.628
  346    H    GLY  47           HN       GLY  47   6.760   1.218   7.340
  347    HA2  GLY  47           HA1      GLY  47   5.333   2.796   6.461
  348    HA3  GLY  47           HA2      GLY  47   4.756   3.082   8.099
  349    H    ALA  48           HN       ALA  48   8.128   3.393   7.313
  350    HA   ALA  48           HA       ALA  48   7.949   6.215   8.011
  351    HB1  ALA  48           HB1      ALA  48   9.440   4.900   9.366
  352    HB2  ALA  48           HB2      ALA  48  10.281   4.312   7.934
  353    HB3  ALA  48           HB3      ALA  48  10.386   6.014   8.381
  354    H    ARG  49           HN       ARG  49   8.942   7.789   6.788
  355    HA   ARG  49           HA       ARG  49   8.777   7.480   3.986
  356    HE   ARG  49           HE       ARG  49  10.674  10.995   8.270
  357    HB2  ARG  49           HB2      ARG  49   9.748   9.809   3.942
  358    HB3  ARG  49           HB3      ARG  49   8.277   9.627   4.885
  359    HG2  ARG  49           HG2      ARG  49  10.691   9.216   6.452
  360    HG3  ARG  49           HG3      ARG  49  10.583  10.830   5.734
  361    HD2  ARG  49           HD2      ARG  49   8.405  11.146   6.735
  362    HD3  ARG  49           HD3      ARG  49   8.432   9.500   7.356
  363   HH11  ARG  49          HH12      ARG  49   7.238  10.549   8.758
  364   HH12  ARG  49          HH11      ARG  49   7.283  10.979  10.445
  365   HH21  ARG  49          HH22      ARG  49  10.735  11.601  10.497
  366   HH22  ARG  49          HH21      ARG  49   9.259  11.604  11.414
  367    H    HIS  50           HN       HIS  50  11.546   7.794   6.190
  368    HA   HIS  50           HA       HIS  50  13.464   7.942   4.133
  369    HD1  HIS  50           HD1      HIS  50  14.393   5.121   7.215
  370    HD2  HIS  50           HD2      HIS  50  12.732   8.662   8.636
  371    HE1  HIS  50           HE1      HIS  50  13.308   4.538   9.391
  372    HE2  HIS  50           HE2      HIS  50  12.231   6.662  10.200
  373    HB2  HIS  50           HB2      HIS  50  15.126   7.400   5.958
  374    HB3  HIS  50           HB3      HIS  50  14.099   8.791   6.283
  375    H    GLU  51           HN       GLU  51  11.970   5.341   5.872
  376    HA   GLU  51           HA       GLU  51  13.727   3.267   5.118
  377    HB2  GLU  51           HB2      GLU  51  11.521   3.510   6.760
  378    HB3  GLU  51           HB3      GLU  51  10.927   2.491   5.455
  379    HG2  GLU  51           HG2      GLU  51  11.791   1.152   7.262
  380    HG3  GLU  51           HG3      GLU  51  12.780   0.959   5.809
  381    H    LEU  52           HN       LEU  52  10.754   4.574   3.785
  382    HA   LEU  52           HA       LEU  52  10.544   2.715   1.665
  383    HG   LEU  52           HG       LEU  52   8.417   4.019   3.591
  384    HB2  LEU  52           HB2      LEU  52   9.393   5.487   1.938
  385    HB3  LEU  52           HB3      LEU  52   8.981   4.370   0.650
  386   HD11  LEU  52          HD11      LEU  52   6.647   4.465   1.199
  387   HD12  LEU  52          HD12      LEU  52   6.073   4.057   2.814
  388   HD13  LEU  52          HD13      LEU  52   6.925   5.576   2.540
  389   HD21  LEU  52          HD21      LEU  52   8.993   1.871   2.627
  390   HD22  LEU  52          HD22      LEU  52   7.256   1.955   2.920
  391   HD23  LEU  52          HD23      LEU  52   7.885   2.148   1.283
  392    H    ILE  53           HN       ILE  53  12.261   5.730   2.031
  393    HA   ILE  53           HA       ILE  53  12.913   6.231  -0.636
  394    HB   ILE  53           HB       ILE  53  14.605   6.689   1.832
  395   HG12  ILE  53          HG12      ILE  53  12.826   8.585   0.281
  396   HG13  ILE  53          HG13      ILE  53  12.407   7.841   1.822
  397   HG21  ILE  53          HG21      ILE  53  15.834   8.321   0.479
  398   HG22  ILE  53          HG22      ILE  53  15.985   6.686  -0.168
  399   HG23  ILE  53          HG23      ILE  53  14.898   7.841  -0.938
  400   HD11  ILE  53          HD11      ILE  53  14.683   9.752   1.340
  401   HD12  ILE  53          HD12      ILE  53  13.147  10.131   2.121
  402   HD13  ILE  53          HD13      ILE  53  14.271   9.006   2.885
  403    H    ALA  54           HN       ALA  54  14.665   4.331   1.794
  404    HA   ALA  54           HA       ALA  54  16.603   3.295  -0.012
  405    HB1  ALA  54           HB1      ALA  54  17.198   1.781   1.794
  406    HB2  ALA  54           HB2      ALA  54  16.965   3.417   2.412
  407    HB3  ALA  54           HB3      ALA  54  15.713   2.198   2.653
  408    H    LEU  55           HN       LEU  55  13.404   2.354   0.909
  409    HA   LEU  55           HA       LEU  55  13.530  -0.371   0.116
  410    HG   LEU  55           HG       LEU  55  10.004  -0.660   1.290
  411    HB2  LEU  55           HB2      LEU  55  11.892   0.669   1.724
  412    HB3  LEU  55           HB3      LEU  55  11.097   1.406   0.351
  413   HD11  LEU  55          HD11      LEU  55   9.465   0.163  -0.932
  414   HD12  LEU  55          HD12      LEU  55  10.820  -0.743  -1.606
  415   HD13  LEU  55          HD13      LEU  55   9.454  -1.600  -0.890
  416   HD21  LEU  55          HD21      LEU  55  11.974  -1.972   1.749
  417   HD22  LEU  55          HD22      LEU  55  10.946  -2.825   0.596
  418   HD23  LEU  55          HD23      LEU  55  12.398  -1.991   0.036
  419    H    LEU  56           HN       LEU  56  12.506   2.620  -1.452
  420    HA   LEU  56           HA       LEU  56  11.722   1.288  -3.859
  421    HG   LEU  56           HG       LEU  56  12.962   4.307  -4.890
  422    HB2  LEU  56           HB2      LEU  56  10.503   3.172  -3.645
  423    HB3  LEU  56           HB3      LEU  56  11.748   4.003  -2.740
  424   HD11  LEU  56          HD11      LEU  56  10.302   3.493  -6.064
  425   HD12  LEU  56          HD12      LEU  56  11.662   4.163  -6.963
  426   HD13  LEU  56          HD13      LEU  56  11.807   2.581  -6.195
  427   HD21  LEU  56          HD21      LEU  56  11.748   6.104  -3.821
  428   HD22  LEU  56          HD22      LEU  56  11.564   6.211  -5.572
  429   HD23  LEU  56          HD23      LEU  56  10.247   5.574  -4.583
  430    H    ARG  57           HN       ARG  57  14.557   2.870  -2.569
  431    HA   ARG  57           HA       ARG  57  15.995   3.082  -5.000
  432    HE   ARG  57           HE       ARG  57  17.893   5.926  -3.316
  433    HB2  ARG  57           HB2      ARG  57  16.599   4.316  -2.947
  434    HB3  ARG  57           HB3      ARG  57  17.060   2.803  -2.182
  435    HG2  ARG  57           HG2      ARG  57  18.868   2.504  -3.714
  436    HG3  ARG  57           HG3      ARG  57  18.341   3.883  -4.680
  437    HD2  ARG  57           HD2      ARG  57  19.274   4.015  -1.815
  438    HD3  ARG  57           HD3      ARG  57  20.253   4.423  -3.225
  439   HH11  ARG  57          HH12      ARG  57  20.835   5.695  -1.439
  440   HH12  ARG  57          HH11      ARG  57  20.804   7.366  -0.964
  441   HH21  ARG  57          HH22      ARG  57  17.852   8.113  -2.717
  442   HH22  ARG  57          HH21      ARG  57  19.095   8.745  -1.671
  443    H    GLN  58           HN       GLN  58  15.233   0.436  -2.938
  444    HA   GLN  58           HA       GLN  58  17.377  -1.281  -3.491
  445    HB2  GLN  58           HB2      GLN  58  16.214  -2.868  -2.353
  446    HB3  GLN  58           HB3      GLN  58  15.268  -1.473  -1.859
  447    HG2  GLN  58           HG2      GLN  58  13.712  -1.979  -3.761
  448    HG3  GLN  58           HG3      GLN  58  14.599  -3.484  -3.989
  449   HE21  GLN  58          HE21      GLN  58  11.827  -3.145  -3.322
  450   HE22  GLN  58          HE22      GLN  58  11.570  -3.899  -1.788
  451    H    LEU  59           HN       LEU  59  14.559  -0.418  -5.427
  452    HA   LEU  59           HA       LEU  59  15.472  -2.432  -7.363
  453    HG   LEU  59           HG       LEU  59  11.299  -1.444  -7.491
  454    HB2  LEU  59           HB2      LEU  59  13.283  -2.220  -8.505
  455    HB3  LEU  59           HB3      LEU  59  13.214  -2.899  -6.903
  456   HD11  LEU  59          HD11      LEU  59  12.187  -1.821  -5.124
  457   HD12  LEU  59          HD12      LEU  59  12.733  -0.149  -5.218
  458   HD13  LEU  59          HD13      LEU  59  11.023  -0.524  -5.398
  459   HD21  LEU  59          HD21      LEU  59  13.328   0.775  -7.455
  460   HD22  LEU  59          HD22      LEU  59  12.386   0.222  -8.840
  461   HD23  LEU  59          HD23      LEU  59  11.578   0.994  -7.474
  462    H    GLN  60           HN       GLN  60  16.304   0.484  -6.781
  463    HA   GLN  60           HA       GLN  60  16.059   1.530  -9.503
  464    HB2  GLN  60           HB2      GLN  60  17.198   2.786  -7.003
  465    HB3  GLN  60           HB3      GLN  60  17.139   3.566  -8.578
  466    HG2  GLN  60           HG2      GLN  60  14.672   3.360  -8.531
  467    HG3  GLN  60           HG3      GLN  60  14.797   2.716  -6.894
  468   HE21  GLN  60          HE21      GLN  60  15.123   5.511  -8.911
  469   HE22  GLN  60          HE22      GLN  60  15.204   6.681  -7.629
  470    HA   PRO  61           HA       PRO  61  20.073  -0.208 -10.403
  471    HB2  PRO  61           HB2      PRO  61  20.053   1.462 -12.803
  472    HB3  PRO  61           HB3      PRO  61  20.005  -0.296 -12.667
  473    HG2  PRO  61           HG2      PRO  61  17.877   1.149 -13.488
  474    HG3  PRO  61           HG3      PRO  61  17.710  -0.360 -12.573
  475    HD2  PRO  61           HD2      PRO  61  17.483   2.469 -11.622
  476    HD3  PRO  61           HD3      PRO  61  16.502   1.049 -11.201
  477    H    SER  62           HN       SER  62  19.534   2.802  -9.324
  478    HA   SER  62           HA       SER  62  21.903   4.153 -10.204
  479    HG   SER  62           HG       SER  62  19.764   5.046 -10.613
  480    HB2  SER  62           HB2      SER  62  20.081   4.817  -7.877
  481    HB3  SER  62           HB3      SER  62  21.231   5.905  -8.659
  482    H    SER  63           HN       SER  63  21.080   1.991  -7.637
  483    HA   SER  63           HA       SER  63  23.669   2.532  -6.350
  484    HG   SER  63           HG       SER  63  22.307   4.036  -4.836
  485    HB2  SER  63           HB2      SER  63  21.177   1.431  -5.036
  486    HB3  SER  63           HB3      SER  63  22.686   1.882  -4.239
  487    H    GLN  64           HN       GLN  64  25.089   0.980  -6.634
  488    HA   GLN  64           HA       GLN  64  24.160  -1.782  -7.010
  489    HB2  GLN  64           HB2      GLN  64  26.739  -0.381  -7.666
  490    HB3  GLN  64           HB3      GLN  64  26.681  -2.129  -7.535
  491    HG2  GLN  64           HG2      GLN  64  26.493  -1.575  -9.829
  492    HG3  GLN  64           HG3      GLN  64  24.918  -2.139  -9.286
  493   HE21  GLN  64          HE21      GLN  64  23.203  -0.763  -9.303
  494   HE22  GLN  64          HE22      GLN  64  23.251   0.808 -10.027
  495    H    GLY  65           HN       GLY  65  25.187  -3.492  -5.794
  496    HA2  GLY  65           HA1      GLY  65  25.704  -2.644  -3.055
  497    HA3  GLY  65           HA2      GLY  65  25.428  -4.291  -3.603
  498    H    GLY  66           HN       GLY  66  27.357  -4.346  -5.669
  499    HA2  GLY  66           HA1      GLY  66  29.843  -4.126  -4.081
  500    HA3  GLY  66           HA2      GLY  66  29.513  -5.479  -5.155
  501    H    SER  67           HN       SER  67  29.488  -1.920  -5.351
  502    HA   SER  67           HA       SER  67  30.818  -2.158  -7.960
  503    HG   SER  67           HG       SER  67  28.857   1.010  -6.576
  504    HB2  SER  67           HB2      SER  67  29.968   0.266  -8.191
  505    HB3  SER  67           HB3      SER  67  28.780  -1.034  -8.282
  506    H    LEU  68           HN       LEU  68  31.252  -1.120  -4.740
  507    HA   LEU  68           HA       LEU  68  33.495   0.609  -5.529
  508    HG   LEU  68           HG       LEU  68  34.258   1.290  -2.556
  509    HB2  LEU  68           HB2      LEU  68  31.774   1.741  -4.217
  510    HB3  LEU  68           HB3      LEU  68  31.929   0.536  -2.952
  511   HD11  LEU  68          HD11      LEU  68  35.022   3.390  -3.551
  512   HD12  LEU  68          HD12      LEU  68  34.755   2.153  -4.779
  513   HD13  LEU  68          HD13      LEU  68  33.572   3.441  -4.553
  514   HD21  LEU  68          HD21      LEU  68  32.432   2.194  -1.219
  515   HD22  LEU  68          HD22      LEU  68  33.684   3.407  -1.486
  516   HD23  LEU  68          HD23      LEU  68  32.186   3.470  -2.411
  517    H    LEU  69           HN       LEU  69  35.417  -0.284  -5.350
  518    HA   LEU  69           HA       LEU  69  36.051  -1.781  -2.938
  519    HG   LEU  69           HG       LEU  69  36.246  -2.075  -6.616
  520    HB2  LEU  69           HB2      LEU  69  37.280  -3.499  -4.207
  521    HB3  LEU  69           HB3      LEU  69  35.557  -3.536  -4.511
  522   HD11  LEU  69          HD11      LEU  69  38.375  -2.812  -7.556
  523   HD12  LEU  69          HD12      LEU  69  38.614  -1.941  -6.041
  524   HD13  LEU  69          HD13      LEU  69  38.729  -3.699  -6.073
  525   HD21  LEU  69          HD21      LEU  69  36.348  -4.152  -7.912
  526   HD22  LEU  69          HD22      LEU  69  36.583  -5.066  -6.423
  527   HD23  LEU  69          HD23      LEU  69  35.071  -4.200  -6.697
  528    H    ALA  70           HN       ALA  70  37.980  -1.245  -2.116
  529    HA   ALA  70           HA       ALA  70  39.950   0.053  -3.834
  530    HB1  ALA  70           HB1      ALA  70  40.211   1.947  -2.324
  531    HB2  ALA  70           HB2      ALA  70  38.584   1.887  -2.999
  532    HB3  ALA  70           HB3      ALA  70  38.871   1.359  -1.341
  533    HA   PRO  71           HA       PRO  71  42.283  -2.446  -0.844
  534    HB2  PRO  71           HB2      PRO  71  43.962  -3.236  -3.025
  535    HB3  PRO  71           HB3      PRO  71  42.824  -4.239  -2.123
  536    HG2  PRO  71           HG2      PRO  71  42.527  -3.542  -4.782
  537    HG3  PRO  71           HG3      PRO  71  41.197  -4.034  -3.719
  538    HD2  PRO  71           HD2      PRO  71  42.060  -1.285  -4.536
  539    HD3  PRO  71           HD3      PRO  71  40.420  -1.933  -4.327
  540    H    VAL  72           HN       VAL  72  42.747  -0.141  -0.323
  541    HA   VAL  72           HA       VAL  72  44.775   1.221  -1.836
  542    HB   VAL  72           HB       VAL  72  42.846   2.358  -0.738
  543   HG11  VAL  72          HG11      VAL  72  42.992   2.887   1.660
  544   HG12  VAL  72          HG12      VAL  72  42.791   1.160   1.361
  545   HG13  VAL  72          HG13      VAL  72  44.375   1.800   1.800
  546   HG21  VAL  72          HG21      VAL  72  44.139   4.309   0.042
  547   HG22  VAL  72          HG22      VAL  72  45.599   3.321   0.033
  548   HG23  VAL  72          HG23      VAL  72  44.747   3.650  -1.476
  549    H    ALA  73           HN       ALA  73  44.707  -0.973   0.772
  550    HA   ALA  73           HA       ALA  73  47.210  -0.299   1.944
  551    HB1  ALA  73           HB1      ALA  73  45.572  -1.698   3.117
  552    HB2  ALA  73           HB2      ALA  73  45.785  -2.959   1.903
  553    HB3  ALA  73           HB3      ALA  73  47.125  -2.516   2.961
  554    H    ARG  74           HN       ARG  74  46.218  -2.791  -0.403
  555    HA   ARG  74           HA       ARG  74  48.406  -2.205  -2.100
  556    HE   ARG  74           HE       ARG  74  51.293  -6.077  -3.763
  557    HB2  ARG  74           HB2      ARG  74  49.685  -3.478  -0.446
  558    HB3  ARG  74           HB3      ARG  74  48.582  -4.838  -0.620
  559    HG2  ARG  74           HG2      ARG  74  49.253  -5.120  -2.932
  560    HG3  ARG  74           HG3      ARG  74  50.300  -3.706  -2.817
  561    HD2  ARG  74           HD2      ARG  74  51.688  -4.823  -1.182
  562    HD3  ARG  74           HD3      ARG  74  50.605  -6.218  -1.178
  563   HH11  ARG  74          HH12      ARG  74  53.262  -5.953  -0.857
  564   HH12  ARG  74          HH11      ARG  74  54.646  -6.672  -1.630
  565   HH21  ARG  74          HH22      ARG  74  53.079  -7.045  -4.746
  566   HH22  ARG  74          HH21      ARG  74  54.537  -7.327  -3.832
  567    H    ASN  75           HN       ASN  75  47.633  -2.482  -4.042
  568    HA   ASN  75           HA       ASN  75  46.033  -4.886  -4.586
  569    HB2  ASN  75           HB2      ASN  75  44.760  -3.624  -6.288
  570    HB3  ASN  75           HB3      ASN  75  44.514  -2.989  -4.668
  571   HD21  ASN  75          HD21      ASN  75  45.299  -0.973  -4.137
  572   HD22  ASN  75          HD22      ASN  75  45.821   0.164  -5.340
  573    H    GLY  76           HN       GLY  76  46.025  -5.232  -7.132
  574    HA2  GLY  76           HA1      GLY  76  48.902  -5.164  -7.805
  575    HA3  GLY  76           HA2      GLY  76  47.827  -6.491  -8.203
  576    H    ARG  77           HN       ARG  77  49.083  -3.444  -9.152
  577    HA   ARG  77           HA       ARG  77  47.434  -3.470 -11.590
  578    HE   ARG  77           HE       ARG  77  46.397   0.199 -12.022
  579    HB2  ARG  77           HB2      ARG  77  49.490  -1.406 -10.778
  580    HB3  ARG  77           HB3      ARG  77  48.288  -1.264 -12.053
  581    HG2  ARG  77           HG2      ARG  77  46.530  -1.416 -10.265
  582    HG3  ARG  77           HG3      ARG  77  47.836  -1.268  -9.087
  583    HD2  ARG  77           HD2      ARG  77  46.905   0.911  -9.450
  584    HD3  ARG  77           HD3      ARG  77  48.505   0.862 -10.192
  585   HH11  ARG  77          HH12      ARG  77  48.169   2.877 -10.574
  586   HH12  ARG  77          HH11      ARG  77  47.789   3.973 -11.874
  587   HH21  ARG  77          HH22      ARG  77  45.914   1.643 -13.706
  588   HH22  ARG  77          HH21      ARG  77  46.519   3.274 -13.642
  589    H    LEU  78           HN       LEU  78  50.260  -4.595 -10.330
  590    HA   LEU  78           HA       LEU  78  52.089  -5.641 -11.128
  591    HG   LEU  78           HG       LEU  78  51.215  -7.838 -11.740
  592    HB2  LEU  78           HB2      LEU  78  50.445  -5.635 -13.651
  593    HB3  LEU  78           HB3      LEU  78  52.055  -6.324 -13.592
  594   HD11  LEU  78          HD11      LEU  78  48.821  -8.218 -11.592
  595   HD12  LEU  78          HD12      LEU  78  49.230  -6.567 -11.125
  596   HD13  LEU  78          HD13      LEU  78  48.527  -6.887 -12.713
  597   HD21  LEU  78          HD21      LEU  78  51.574  -8.590 -14.037
  598   HD22  LEU  78          HD22      LEU  78  50.198  -9.406 -13.292
  599   HD23  LEU  78          HD23      LEU  78  49.929  -8.105 -14.454
  600    H1   GLY   1           H1       GLY   1 -13.173 -10.134 -21.135
  601    H2   GLY   1           H2       GLY   1 -12.728  -8.496 -21.137
  602    H3   GLY   1           H3       GLY   1 -14.346  -8.932 -21.376
  603    HA2  GLY   1           HA2      GLY   1 -14.522  -9.768 -19.146
  604    HA3  GLY   1           HA1      GLY   1 -12.816  -9.426 -18.885
  605    HA   PRO   2           HA       PRO   2 -15.553  -5.731 -17.662
  606    HB2  PRO   2           HB2      PRO   2 -14.789  -5.768 -15.023
  607    HB3  PRO   2           HB3      PRO   2 -16.274  -6.504 -15.635
  608    HG2  PRO   2           HG2      PRO   2 -13.650  -7.782 -14.990
  609    HG3  PRO   2           HG3      PRO   2 -15.292  -8.377 -14.684
  610    HD2  PRO   2           HD2      PRO   2 -13.799  -9.298 -16.726
  611    HD3  PRO   2           HD3      PRO   2 -15.560  -9.124 -16.854
  612    H    LEU   3           HN       LEU   3 -14.418  -4.067 -18.400
  613    HA   LEU   3           HA       LEU   3 -11.689  -3.651 -17.366
  614    HG   LEU   3           HG       LEU   3 -10.958  -1.409 -19.350
  615    HB2  LEU   3           HB2      LEU   3 -11.692  -4.311 -19.737
  616    HB3  LEU   3           HB3      LEU   3 -12.755  -2.967 -20.110
  617   HD11  LEU   3          HD11      LEU   3  -8.693  -2.261 -19.099
  618   HD12  LEU   3          HD12      LEU   3  -9.764  -2.960 -17.886
  619   HD13  LEU   3          HD13      LEU   3  -9.282  -3.912 -19.290
  620   HD21  LEU   3          HD21      LEU   3  -9.571  -1.681 -21.344
  621   HD22  LEU   3          HD22      LEU   3 -10.223  -3.305 -21.575
  622   HD23  LEU   3          HD23      LEU   3 -11.282  -1.902 -21.712
  623    H    GLY   4           HN       GLY   4 -14.702  -2.190 -18.455
  624    HA2  GLY   4           HA1      GLY   4 -13.955   0.488 -17.743
  625    HA3  GLY   4           HA2      GLY   4 -15.585  -0.080 -18.102
  626    H    SER   5           HN       SER   5 -15.733  -2.130 -16.222
  627    HA   SER   5           HA       SER   5 -15.941  -2.717 -14.046
  628    HG   SER   5           HG       SER   5 -14.681  -0.842 -11.495
  629    HB2  SER   5           HB2      SER   5 -13.624  -1.931 -13.774
  630    HB3  SER   5           HB3      SER   5 -14.218  -0.299 -13.472
  631    H    SER   6           HN       SER   6 -17.616  -2.506 -12.712
  632    HA   SER   6           HA       SER   6 -19.039   0.031 -12.567
  633    HG   SER   6           HG       SER   6 -21.287  -2.682 -13.059
  634    HB2  SER   6           HB2      SER   6 -19.713  -2.648 -11.317
  635    HB3  SER   6           HB3      SER   6 -20.776  -1.245 -11.408
  636    H    ALA   7           HN       ALA   7 -19.053   1.314 -10.755
  637    HA   ALA   7           HA       ALA   7 -16.854   1.083  -8.994
  638    HB1  ALA   7           HB1      ALA   7 -19.285   2.832  -8.694
  639    HB2  ALA   7           HB2      ALA   7 -17.723   3.058  -7.910
  640    HB3  ALA   7           HB3      ALA   7 -17.865   3.228  -9.660
  641    H    GLY   8           HN       GLY   8 -20.307   0.383  -8.593
  642    HA2  GLY   8           HA1      GLY   8 -20.302  -0.118  -5.839
  643    HA3  GLY   8           HA2      GLY   8 -21.424  -0.823  -6.992
  644    H    ALA   9           HN       ALA   9 -19.921  -2.438  -8.512
  645    HA   ALA   9           HA       ALA   9 -19.471  -4.706  -6.937
  646    HB1  ALA   9           HB1      ALA   9 -18.569  -5.727  -8.937
  647    HB2  ALA   9           HB2      ALA   9 -19.980  -4.753  -9.349
  648    HB3  ALA   9           HB3      ALA   9 -18.360  -4.142  -9.684
  649    H    LEU  10           HN       LEU  10 -17.220  -2.281  -8.182
  650    HA   LEU  10           HA       LEU  10 -14.841  -3.560  -7.366
  651    HG   LEU  10           HG       LEU  10 -13.348  -0.903  -6.495
  652    HB2  LEU  10           HB2      LEU  10 -14.841  -1.744  -8.983
  653    HB3  LEU  10           HB3      LEU  10 -15.451  -0.633  -7.774
  654   HD11  LEU  10          HD11      LEU  10 -12.729  -3.125  -7.257
  655   HD12  LEU  10          HD12      LEU  10 -12.464  -2.510  -8.888
  656   HD13  LEU  10          HD13      LEU  10 -11.430  -1.974  -7.564
  657   HD21  LEU  10          HD21      LEU  10 -13.620   0.954  -8.048
  658   HD22  LEU  10          HD22      LEU  10 -11.947   0.396  -8.021
  659   HD23  LEU  10          HD23      LEU  10 -13.002  -0.040  -9.366
  660    H    LEU  11           HN       LEU  11 -16.860  -1.105  -5.808
  661    HA   LEU  11           HA       LEU  11 -15.329  -0.859  -3.454
  662    HG   LEU  11           HG       LEU  11 -17.898   1.549  -2.259
  663    HB2  LEU  11           HB2      LEU  11 -17.087   0.727  -4.291
  664    HB3  LEU  11           HB3      LEU  11 -18.304  -0.430  -3.802
  665   HD11  LEU  11          HD11      LEU  11 -17.649  -1.220  -1.093
  666   HD12  LEU  11          HD12      LEU  11 -18.161   0.225  -0.221
  667   HD13  LEU  11          HD13      LEU  11 -19.150  -0.408  -1.538
  668   HD21  LEU  11          HD21      LEU  11 -15.467   1.556  -2.359
  669   HD22  LEU  11          HD22      LEU  11 -16.033   1.371  -0.700
  670   HD23  LEU  11          HD23      LEU  11 -15.420  -0.027  -1.583
  671    H    ALA  12           HN       ALA  12 -18.139  -2.855  -4.274
  672    HA   ALA  12           HA       ALA  12 -18.592  -3.991  -1.777
  673    HB1  ALA  12           HB1      ALA  12 -19.034  -5.293  -4.457
  674    HB2  ALA  12           HB2      ALA  12 -19.813  -5.727  -2.935
  675    HB3  ALA  12           HB3      ALA  12 -20.140  -4.161  -3.678
  676    H    HIS  13           HN       HIS  13 -16.536  -5.228  -4.431
  677    HA   HIS  13           HA       HIS  13 -15.862  -7.559  -2.919
  678    HD1  HIS  13           HD1      HIS  13 -12.306  -8.057  -5.041
  679    HD2  HIS  13           HD2      HIS  13 -14.504  -4.835  -6.495
  680    HE1  HIS  13           HE1      HIS  13 -10.657  -6.608  -6.277
  681    HE2  HIS  13           HE2      HIS  13 -12.034  -4.735  -7.245
  682    HB2  HIS  13           HB2      HIS  13 -14.795  -8.355  -4.780
  683    HB3  HIS  13           HB3      HIS  13 -15.854  -7.179  -5.537
  684    H    ALA  14           HN       ALA  14 -14.497  -4.379  -3.252
  685    HA   ALA  14           HA       ALA  14 -11.950  -5.004  -2.124
  686    HB1  ALA  14           HB1      ALA  14 -11.680  -2.600  -1.871
  687    HB2  ALA  14           HB2      ALA  14 -12.320  -2.987  -3.468
  688    HB3  ALA  14           HB3      ALA  14 -13.392  -2.356  -2.217
  689    H    ALA  15           HN       ALA  15 -14.966  -3.655  -0.815
  690    HA   ALA  15           HA       ALA  15 -14.119  -3.494   1.871
  691    HB1  ALA  15           HB1      ALA  15 -16.084  -2.303   1.038
  692    HB2  ALA  15           HB2      ALA  15 -16.911  -3.840   0.782
  693    HB3  ALA  15           HB3      ALA  15 -16.496  -3.326   2.415
  694    H    SER  16           HN       SER  16 -15.572  -6.057  -0.023
  695    HA   SER  16           HA       SER  16 -16.205  -7.831   2.044
  696    HG   SER  16           HG       SER  16 -16.365  -9.971   1.314
  697    HB2  SER  16           HB2      SER  16 -16.956  -8.012  -0.339
  698    HB3  SER  16           HB3      SER  16 -15.332  -8.547  -0.764
  699    H    LEU  17           HN       LEU  17 -13.216  -7.424   0.172
  700    HA   LEU  17           HA       LEU  17 -11.902  -9.581   1.563
  701    HG   LEU  17           HG       LEU  17 -12.363  -8.971  -1.482
  702    HB2  LEU  17           HB2      LEU  17 -10.794  -7.493  -0.312
  703    HB3  LEU  17           HB3      LEU  17  -9.911  -8.887   0.284
  704   HD11  LEU  17          HD11      LEU  17 -10.372  -8.178  -2.638
  705   HD12  LEU  17          HD12      LEU  17  -9.475  -9.588  -2.076
  706   HD13  LEU  17          HD13      LEU  17 -10.831  -9.789  -3.186
  707   HD21  LEU  17          HD21      LEU  17 -12.281 -10.882   0.023
  708   HD22  LEU  17          HD22      LEU  17 -11.911 -11.373  -1.629
  709   HD23  LEU  17          HD23      LEU  17 -10.612 -11.204  -0.449
  710    H    GLY  18           HN       GLY  18 -12.251  -6.169   1.940
  711    HA2  GLY  18           HA1      GLY  18 -11.821  -5.018   3.938
  712    HA3  GLY  18           HA2      GLY  18 -10.770  -6.334   4.443
  713    H    VAL  19           HN       VAL  19 -10.615  -4.661   1.357
  714    HA   VAL  19           HA       VAL  19  -7.845  -3.963   1.847
  715    HB   VAL  19           HB       VAL  19  -9.584  -3.333  -0.551
  716   HG11  VAL  19          HG11      VAL  19  -7.446  -2.970  -1.718
  717   HG12  VAL  19          HG12      VAL  19  -7.688  -1.834  -0.391
  718   HG13  VAL  19          HG13      VAL  19  -6.591  -3.199  -0.191
  719   HG21  VAL  19          HG21      VAL  19  -8.392  -5.204  -1.638
  720   HG22  VAL  19          HG22      VAL  19  -7.634  -5.590  -0.093
  721   HG23  VAL  19          HG23      VAL  19  -9.383  -5.727  -0.277
  722    H    ARG  20           HN       ARG  20  -7.348  -2.185   2.928
  723    HA   ARG  20           HA       ARG  20  -9.139   0.151   2.725
  724    HE   ARG  20           HE       ARG  20  -9.688   0.319   7.216
  725    HB2  ARG  20           HB2      ARG  20  -7.750  -0.938   5.182
  726    HB3  ARG  20           HB3      ARG  20  -8.584   0.610   5.121
  727    HG2  ARG  20           HG2      ARG  20 -10.672  -0.369   4.972
  728    HG3  ARG  20           HG3      ARG  20 -10.027  -1.892   4.359
  729    HD2  ARG  20           HD2      ARG  20 -10.822  -2.100   6.667
  730    HD3  ARG  20           HD3      ARG  20  -9.092  -2.401   6.542
  731   HH11  ARG  20          HH12      ARG  20  -9.335  -2.921   8.500
  732   HH12  ARG  20          HH11      ARG  20  -8.940  -2.383  10.110
  733   HH21  ARG  20          HH22      ARG  20  -9.172   1.042   9.344
  734   HH22  ARG  20          HH21      ARG  20  -8.846  -0.140  10.586
  735    H    LEU  21           HN       LEU  21  -8.182   2.073   2.333
  736    HA   LEU  21           HA       LEU  21  -5.281   2.305   2.707
  737    HG   LEU  21           HG       LEU  21  -4.589   1.162   0.698
  738    HB2  LEU  21           HB2      LEU  21  -6.831   3.085   0.242
  739    HB3  LEU  21           HB3      LEU  21  -5.234   3.707   0.596
  740   HD11  LEU  21          HD11      LEU  21  -5.848  -0.183  -0.896
  741   HD12  LEU  21          HD12      LEU  21  -6.855   0.301   0.471
  742   HD13  LEU  21          HD13      LEU  21  -7.018   1.124  -1.082
  743   HD21  LEU  21          HD21      LEU  21  -3.678   2.790  -0.861
  744   HD22  LEU  21          HD22      LEU  21  -4.019   1.263  -1.675
  745   HD23  LEU  21          HD23      LEU  21  -5.111   2.633  -1.880
  746    H    TRP  22           HN       TRP  22  -4.728   4.071   3.797
  747    HA   TRP  22           HA       TRP  22  -6.190   6.545   3.425
  748    HD1  TRP  22           HD1      TRP  22  -4.969   6.805   7.764
  749    HE1  TRP  22           HE1      TRP  22  -4.115   4.916   9.285
  750    HE3  TRP  22           HE3      TRP  22  -6.793   2.785   5.174
  751    HZ2  TRP  22           HZ2      TRP  22  -4.195   2.100   9.375
  752    HZ3  TRP  22           HZ3      TRP  22  -6.355   0.526   6.048
  753    HH2  TRP  22           HH2      TRP  22  -5.083   0.191   8.104
  754    HB2  TRP  22           HB2      TRP  22  -6.631   6.930   5.787
  755    HB3  TRP  22           HB3      TRP  22  -7.416   5.441   5.282
  756    H    VAL  23           HN       VAL  23  -4.925   8.367   3.894
  757    HA   VAL  23           HA       VAL  23  -2.092   7.740   4.059
  758    HB   VAL  23           HB       VAL  23  -2.762   9.253   2.289
  759   HG11  VAL  23          HG11      VAL  23  -3.600  11.507   2.763
  760   HG12  VAL  23          HG12      VAL  23  -4.728  10.256   3.281
  761   HG13  VAL  23          HG13      VAL  23  -3.726  11.090   4.472
  762   HG21  VAL  23          HG21      VAL  23  -1.192  11.079   2.704
  763   HG22  VAL  23          HG22      VAL  23  -1.176  10.677   4.419
  764   HG23  VAL  23          HG23      VAL  23  -0.540   9.531   3.240
  765    H    GLU  24           HN       GLU  24  -0.896   7.962   5.794
  766    HA   GLU  24           HA       GLU  24  -1.896   9.626   8.016
  767    HB2  GLU  24           HB2      GLU  24  -1.865   7.139   8.436
  768    HB3  GLU  24           HB3      GLU  24  -0.123   7.183   8.219
  769    HG2  GLU  24           HG2      GLU  24  -0.634   7.164  10.557
  770    HG3  GLU  24           HG3      GLU  24   0.049   8.731  10.128
  771    H    GLY  25           HN       GLY  25  -0.753  11.461   7.952
  772    HA2  GLY  25           HA1      GLY  25   1.057  12.879   7.917
  773    HA3  GLY  25           HA2      GLY  25   2.091  11.476   8.156
  774    H    GLU  26           HN       GLU  26   3.307  10.806   6.502
  775    HA   GLU  26           HA       GLU  26   2.662  11.847   3.822
  776    HB2  GLU  26           HB2      GLU  26   5.024  11.813   3.305
  777    HB3  GLU  26           HB3      GLU  26   4.770  12.745   4.772
  778    HG2  GLU  26           HG2      GLU  26   5.668   9.871   4.739
  779    HG3  GLU  26           HG3      GLU  26   6.761  11.250   4.803
  780    H    ARG  27           HN       ARG  27   2.556   9.153   5.663
  781    HA   ARG  27           HA       ARG  27   3.347   7.329   3.495
  782    HE   ARG  27           HE       ARG  27   5.427   3.220   4.504
  783    HB2  ARG  27           HB2      ARG  27   4.595   6.874   5.468
  784    HB3  ARG  27           HB3      ARG  27   3.169   6.977   6.483
  785    HG2  ARG  27           HG2      ARG  27   3.946   4.690   6.237
  786    HG3  ARG  27           HG3      ARG  27   2.330   4.901   5.565
  787    HD2  ARG  27           HD2      ARG  27   3.015   4.479   3.444
  788    HD3  ARG  27           HD3      ARG  27   4.589   5.235   3.691
  789   HH11  ARG  27          HH12      ARG  27   2.031   2.890   3.657
  790   HH12  ARG  27          HH11      ARG  27   2.058   1.156   3.757
  791   HH21  ARG  27          HH22      ARG  27   5.427   0.925   4.631
  792   HH22  ARG  27          HH21      ARG  27   3.964   0.049   4.310
  793    H    LEU  28           HN       LEU  28   1.689   6.734   2.302
  794    HA   LEU  28           HA       LEU  28  -0.995   6.573   3.202
  795    HG   LEU  28           HG       LEU  28  -2.585   6.023   1.402
  796    HB2  LEU  28           HB2      LEU  28  -0.192   6.812   0.801
  797    HB3  LEU  28           HB3      LEU  28   0.231   5.114   0.856
  798   HD11  LEU  28          HD11      LEU  28  -1.931   6.952  -0.759
  799   HD12  LEU  28          HD12      LEU  28  -1.373   5.362  -1.279
  800   HD13  LEU  28          HD13      LEU  28  -3.085   5.634  -0.955
  801   HD21  LEU  28          HD21      LEU  28  -3.135   3.769   0.642
  802   HD22  LEU  28          HD22      LEU  28  -1.427   3.443   0.347
  803   HD23  LEU  28          HD23      LEU  28  -2.000   3.719   1.992
  804    H    ARG  29           HN       ARG  29  -1.817   5.110   4.520
  805    HA   ARG  29           HA       ARG  29  -0.278   2.729   5.171
  806    HE   ARG  29           HE       ARG  29  -0.769   2.464   8.748
  807    HB2  ARG  29           HB2      ARG  29  -2.908   3.669   6.343
  808    HB3  ARG  29           HB3      ARG  29  -1.815   2.472   7.022
  809    HG2  ARG  29           HG2      ARG  29  -1.051   5.353   6.628
  810    HG3  ARG  29           HG3      ARG  29  -1.788   4.738   8.108
  811    HD2  ARG  29           HD2      ARG  29   0.795   3.745   6.904
  812    HD3  ARG  29           HD3      ARG  29   0.669   4.873   8.253
  813   HH11  ARG  29          HH12      ARG  29   2.414   3.908   8.836
  814   HH12  ARG  29          HH11      ARG  29   3.053   2.755   9.975
  815   HH21  ARG  29          HH22      ARG  29   0.057   0.956  10.262
  816   HH22  ARG  29          HH21      ARG  29   1.704   1.090  10.790
  817    H    PHE  30           HN       PHE  30  -0.729   0.774   4.430
  818    HA   PHE  30           HA       PHE  30  -3.192   0.452   2.859
  819    HD1  PHE  30           HD1      PHE  30  -3.486  -2.208   1.829
  820    HD2  PHE  30           HD2      PHE  30  -0.961   0.428  -0.370
  821    HE1  PHE  30           HE1      PHE  30  -4.679  -2.790  -0.239
  822    HE2  PHE  30           HE2      PHE  30  -2.157  -0.154  -2.437
  823    HZ   PHE  30           HZ       PHE  30  -4.018  -1.761  -2.374
  824    HB2  PHE  30           HB2      PHE  30  -0.687   0.270   1.904
  825    HB3  PHE  30           HB3      PHE  30  -0.877  -1.382   2.476
  826    H    GLN  31           HN       GLN  31  -4.582  -1.086   3.460
  827    HA   GLN  31           HA       GLN  31  -3.670  -3.123   5.385
  828    HB2  GLN  31           HB2      GLN  31  -5.053  -1.475   6.541
  829    HB3  GLN  31           HB3      GLN  31  -6.323  -1.660   5.339
  830    HG2  GLN  31           HG2      GLN  31  -6.884  -2.833   7.381
  831    HG3  GLN  31           HG3      GLN  31  -6.665  -3.967   6.049
  832   HE21  GLN  31          HE21      GLN  31  -3.960  -2.460   7.641
  833   HE22  GLN  31          HE22      GLN  31  -3.389  -3.881   8.441
  834    H    ALA  32           HN       ALA  32  -3.596  -4.962   4.254
  835    HA   ALA  32           HA       ALA  32  -6.021  -5.876   2.948
  836    HB1  ALA  32           HB1      ALA  32  -4.864  -6.497   0.880
  837    HB2  ALA  32           HB2      ALA  32  -4.837  -4.752   1.140
  838    HB3  ALA  32           HB3      ALA  32  -3.395  -5.714   1.468
  839    HA   PRO  33           HA       PRO  33  -4.553  -9.566   4.983
  840    HB2  PRO  33           HB2      PRO  33  -6.405 -11.264   3.910
  841    HB3  PRO  33           HB3      PRO  33  -6.745 -10.180   5.264
  842    HG2  PRO  33           HG2      PRO  33  -7.376  -9.844   2.360
  843    HG3  PRO  33           HG3      PRO  33  -8.377  -9.474   3.777
  844    HD2  PRO  33           HD2      PRO  33  -7.036  -7.563   2.416
  845    HD3  PRO  33           HD3      PRO  33  -7.309  -7.468   4.168
  846    HA   PRO  34           HA       PRO  34  -1.885 -11.515   2.095
  847    HB2  PRO  34           HB2      PRO  34  -2.045 -14.147   2.917
  848    HB3  PRO  34           HB3      PRO  34  -1.031 -12.913   3.670
  849    HG2  PRO  34           HG2      PRO  34  -3.707 -13.937   4.506
  850    HG3  PRO  34           HG3      PRO  34  -2.308 -13.499   5.505
  851    HD2  PRO  34           HD2      PRO  34  -4.435 -11.873   5.251
  852    HD3  PRO  34           HD3      PRO  34  -2.783 -11.234   5.400
  853    H    GLY  35           HN       GLY  35  -2.366 -11.809   0.030
  854    HA2  GLY  35           HA1      GLY  35  -2.855 -13.547  -1.608
  855    HA3  GLY  35           HA2      GLY  35  -4.278 -13.946  -0.661
  856    H    VAL  36           HN       VAL  36  -4.777 -10.955  -0.322
  857    HA   VAL  36           HA       VAL  36  -6.310 -10.761  -2.806
  858    HB   VAL  36           HB       VAL  36  -7.711  -9.165  -1.714
  859   HG11  VAL  36          HG11      VAL  36  -8.131 -11.501  -1.165
  860   HG12  VAL  36          HG12      VAL  36  -7.043 -11.381   0.218
  861   HG13  VAL  36          HG13      VAL  36  -8.541 -10.449   0.191
  862   HG21  VAL  36          HG21      VAL  36  -7.278  -8.376   0.581
  863   HG22  VAL  36          HG22      VAL  36  -5.710  -9.182   0.541
  864   HG23  VAL  36          HG23      VAL  36  -6.045  -7.847  -0.563
  865    H    MET  37           HN       MET  37  -3.354  -9.840  -1.985
  866    HA   MET  37           HA       MET  37  -3.560  -7.076  -2.898
  867    HB2  MET  37           HB2      MET  37  -2.203  -7.792  -0.847
  868    HB3  MET  37           HB3      MET  37  -1.039  -8.447  -1.988
  869    HG2  MET  37           HG2      MET  37  -0.186  -6.358  -1.514
  870    HG3  MET  37           HG3      MET  37  -1.049  -6.094  -3.026
  871    HE1  MET  37           HE1      MET  37  -3.418  -4.840  -3.186
  872    HE2  MET  37           HE2      MET  37  -4.133  -5.968  -2.035
  873    HE3  MET  37           HE3      MET  37  -4.296  -4.228  -1.786
  874    H    THR  38           HN       THR  38  -3.802  -9.576  -4.567
  875    HA   THR  38           HA       THR  38  -1.570  -9.963  -6.195
  876    HB   THR  38           HB       THR  38  -3.305 -10.752  -7.900
  877    HG1  THR  38           HG1      THR  38  -5.412 -11.069  -6.643
  878   HG21  THR  38          HG21      THR  38  -3.900 -12.731  -6.548
  879   HG22  THR  38          HG22      THR  38  -3.368 -11.882  -5.096
  880   HG23  THR  38          HG23      THR  38  -2.207 -12.288  -6.358
  881    HA   PRO  39           HA       PRO  39  -0.944  -6.377  -8.644
  882    HB2  PRO  39           HB2      PRO  39  -0.889  -8.263 -10.959
  883    HB3  PRO  39           HB3      PRO  39   0.278  -7.020 -10.490
  884    HG2  PRO  39           HG2      PRO  39   0.788  -9.580 -10.015
  885    HG3  PRO  39           HG3      PRO  39   1.211  -8.339  -8.820
  886    HD2  PRO  39           HD2      PRO  39  -1.036 -10.299  -8.808
  887    HD3  PRO  39           HD3      PRO  39  -0.080  -9.667  -7.452
  888    H    GLU  40           HN       GLU  40  -3.185  -8.746 -10.093
  889    HA   GLU  40           HA       GLU  40  -4.526  -6.997 -11.801
  890    HB2  GLU  40           HB2      GLU  40  -4.821  -9.461 -11.835
  891    HB3  GLU  40           HB3      GLU  40  -5.724  -9.354 -10.329
  892    HG2  GLU  40           HG2      GLU  40  -7.375  -7.902 -11.476
  893    HG3  GLU  40           HG3      GLU  40  -6.499  -8.161 -12.982
  894    H    LEU  41           HN       LEU  41  -5.234  -7.853  -8.423
  895    HA   LEU  41           HA       LEU  41  -7.581  -6.282  -8.256
  896    HG   LEU  41           HG       LEU  41  -8.555  -6.101  -6.050
  897    HB2  LEU  41           HB2      LEU  41  -7.004  -8.179  -6.743
  898    HB3  LEU  41           HB3      LEU  41  -5.783  -7.166  -6.000
  899   HD11  LEU  41          HD11      LEU  41  -8.910  -8.437  -5.450
  900   HD12  LEU  41          HD12      LEU  41  -7.673  -8.309  -4.200
  901   HD13  LEU  41          HD13      LEU  41  -9.163  -7.377  -4.064
  902   HD21  LEU  41          HD21      LEU  41  -6.725  -4.819  -5.063
  903   HD22  LEU  41          HD22      LEU  41  -7.902  -5.290  -3.837
  904   HD23  LEU  41          HD23      LEU  41  -6.371  -6.157  -3.970
  905    H    GLN  42           HN       GLN  42  -4.197  -5.650  -7.493
  906    HA   GLN  42           HA       GLN  42  -4.520  -3.111  -6.346
  907    HB2  GLN  42           HB2      GLN  42  -2.385  -4.418  -6.378
  908    HB3  GLN  42           HB3      GLN  42  -2.218  -4.026  -8.084
  909    HG2  GLN  42           HG2      GLN  42  -0.840  -2.532  -6.838
  910    HG3  GLN  42           HG3      GLN  42  -2.206  -1.616  -7.475
  911   HE21  GLN  42          HE21      GLN  42  -2.383  -3.781  -4.730
  912   HE22  GLN  42          HE22      GLN  42  -2.670  -2.563  -3.541
  913    H    SER  43           HN       SER  43  -4.219  -4.147  -9.705
  914    HA   SER  43           HA       SER  43  -4.361  -1.520 -10.805
  915    HG   SER  43           HG       SER  43  -5.293  -1.883 -13.184
  916    HB2  SER  43           HB2      SER  43  -3.399  -3.571 -11.947
  917    HB3  SER  43           HB3      SER  43  -5.058  -4.111 -12.200
  918    H    ARG  44           HN       ARG  44  -6.712  -3.937  -9.861
  919    HA   ARG  44           HA       ARG  44  -8.969  -2.811 -11.143
  920    HE   ARG  44           HE       ARG  44 -11.821  -5.892 -11.155
  921    HB2  ARG  44           HB2      ARG  44  -8.730  -4.554  -8.689
  922    HB3  ARG  44           HB3      ARG  44 -10.271  -4.079  -9.390
  923    HG2  ARG  44           HG2      ARG  44  -8.122  -5.615 -10.838
  924    HG3  ARG  44           HG3      ARG  44  -9.546  -6.330 -10.080
  925    HD2  ARG  44           HD2      ARG  44  -9.627  -4.256 -12.265
  926    HD3  ARG  44           HD3      ARG  44  -9.786  -5.992 -12.530
  927   HH11  ARG  44          HH12      ARG  44 -10.613  -2.922 -12.587
  928   HH12  ARG  44          HH11      ARG  44 -12.159  -2.133 -12.536
  929   HH21  ARG  44          HH22      ARG  44 -13.835  -4.875 -11.113
  930   HH22  ARG  44          HH21      ARG  44 -14.005  -3.245 -11.705
  931    H    LEU  45           HN       LEU  45  -7.377  -2.182  -8.089
  932    HA   LEU  45           HA       LEU  45  -9.275  -0.437  -6.961
  933    HG   LEU  45           HG       LEU  45  -7.262  -2.548  -5.933
  934    HB2  LEU  45           HB2      LEU  45  -6.260  -0.398  -6.709
  935    HB3  LEU  45           HB3      LEU  45  -7.373   0.459  -5.660
  936   HD11  LEU  45          HD11      LEU  45  -6.171  -0.750  -3.771
  937   HD12  LEU  45          HD12      LEU  45  -6.217  -2.512  -3.724
  938   HD13  LEU  45          HD13      LEU  45  -5.222  -1.688  -4.925
  939   HD21  LEU  45          HD21      LEU  45  -8.711  -0.779  -3.963
  940   HD22  LEU  45          HD22      LEU  45  -9.458  -1.686  -5.278
  941   HD23  LEU  45          HD23      LEU  45  -8.678  -2.543  -3.948
  942    H    GLY  46           HN       GLY  46  -6.962  -0.057  -9.507
  943    HA2  GLY  46           HA1      GLY  46  -7.091   1.486 -11.232
  944    HA3  GLY  46           HA2      GLY  46  -8.253   2.409 -10.295
  945    H    GLY  47           HN       GLY  47  -6.342   2.305  -7.966
  946    HA2  GLY  47           HA1      GLY  47  -4.637   3.579  -7.092
  947    HA3  GLY  47           HA2      GLY  47  -3.973   3.679  -8.716
  948    H    ALA  48           HN       ALA  48  -7.229   4.716  -8.125
  949    HA   ALA  48           HA       ALA  48  -6.420   7.429  -8.838
  950    HB1  ALA  48           HB1      ALA  48  -8.182   6.372 -10.164
  951    HB2  ALA  48           HB2      ALA  48  -9.171   6.198  -8.712
  952    HB3  ALA  48           HB3      ALA  48  -8.778   7.805  -9.325
  953    H    ARG  49           HN       ARG  49  -7.070   9.254  -7.661
  954    HA   ARG  49           HA       ARG  49  -7.044   8.926  -4.855
  955    HE   ARG  49           HE       ARG  49  -8.237  12.595  -9.179
  956    HB2  ARG  49           HB2      ARG  49  -7.490  11.395  -4.768
  957    HB3  ARG  49           HB3      ARG  49  -6.082  10.927  -5.705
  958    HG2  ARG  49           HG2      ARG  49  -8.654  11.302  -7.141
  959    HG3  ARG  49           HG3      ARG  49  -7.795  12.732  -6.566
  960    HD2  ARG  49           HD2      ARG  49  -5.835  12.122  -7.808
  961    HD3  ARG  49           HD3      ARG  49  -6.545  10.573  -8.257
  962   HH11  ARG  49          HH12      ARG  49  -4.951  11.528  -9.719
  963   HH12  ARG  49          HH11      ARG  49  -4.962  11.906 -11.418
  964   HH21  ARG  49          HH22      ARG  49  -8.270  13.121 -11.398
  965   HH22  ARG  49          HH21      ARG  49  -6.869  12.804 -12.383
  966    H    HIS  50           HN       HIS  50  -9.672   9.881  -7.078
  967    HA   HIS  50           HA       HIS  50 -11.599  10.282  -5.092
  968    HD1  HIS  50           HD1      HIS  50 -13.151   7.585  -8.170
  969    HD2  HIS  50           HD2      HIS  50 -10.624  10.593  -9.546
  970    HE1  HIS  50           HE1      HIS  50 -12.416   6.865 -10.461
  971    HE2  HIS  50           HE2      HIS  50 -11.115   8.821 -11.365
  972    HB2  HIS  50           HB2      HIS  50 -13.302   9.917  -6.885
  973    HB3  HIS  50           HB3      HIS  50 -12.075  11.108  -7.279
  974    H    GLU  51           HN       GLU  51 -10.506   7.337  -6.613
  975    HA   GLU  51           HA       GLU  51 -12.651   5.728  -5.677
  976    HB2  GLU  51           HB2      GLU  51 -10.299   5.353  -7.253
  977    HB3  GLU  51           HB3      GLU  51 -10.327   4.129  -5.988
  978    HG2  GLU  51           HG2      GLU  51 -11.422   3.311  -7.980
  979    HG3  GLU  51           HG3      GLU  51 -12.589   3.487  -6.670
  980    H    LEU  52           HN       LEU  52  -9.467   6.582  -4.420
  981    HA   LEU  52           HA       LEU  52  -9.604   4.816  -2.195
  982    HG   LEU  52           HG       LEU  52  -7.256   5.574  -4.186
  983    HB2  LEU  52           HB2      LEU  52  -7.933   7.285  -2.639
  984    HB3  LEU  52           HB3      LEU  52  -7.746   6.194  -1.278
  985   HD11  LEU  52          HD11      LEU  52  -5.468   5.721  -1.770
  986   HD12  LEU  52          HD12      LEU  52  -4.975   5.120  -3.352
  987   HD13  LEU  52          HD13      LEU  52  -5.468   6.802  -3.164
  988   HD21  LEU  52          HD21      LEU  52  -8.310   3.647  -3.120
  989   HD22  LEU  52          HD22      LEU  52  -6.605   3.333  -3.444
  990   HD23  LEU  52          HD23      LEU  52  -7.134   3.718  -1.807
  991    H    ILE  53           HN       ILE  53 -10.779   8.030  -2.811
  992    HA   ILE  53           HA       ILE  53 -11.336   8.820  -0.174
  993    HB   ILE  53           HB       ILE  53 -12.874   9.447  -2.703
  994   HG12  ILE  53          HG12      ILE  53 -10.756  11.051  -1.247
  995   HG13  ILE  53          HG13      ILE  53 -10.487  10.126  -2.722
  996   HG21  ILE  53          HG21      ILE  53 -13.740  11.384  -1.454
  997   HG22  ILE  53          HG22      ILE  53 -14.253   9.850  -0.749
  998   HG23  ILE  53          HG23      ILE  53 -12.953  10.777   0.003
  999   HD11  ILE  53          HD11      ILE  53 -12.331  12.484  -2.426
 1000   HD12  ILE  53          HD12      ILE  53 -10.749  12.483  -3.207
 1001   HD13  ILE  53          HD13      ILE  53 -12.074  11.551  -3.901
 1002    H    ALA  54           HN       ALA  54 -13.380   7.147  -2.562
 1003    HA   ALA  54           HA       ALA  54 -15.494   6.609  -0.742
 1004    HB1  ALA  54           HB1      ALA  54 -16.300   5.063  -2.472
 1005    HB2  ALA  54           HB2      ALA  54 -15.846   6.628  -3.149
 1006    HB3  ALA  54           HB3      ALA  54 -14.772   5.243  -3.334
 1007    H    LEU  55           HN       LEU  55 -12.640   4.847  -1.769
 1008    HA   LEU  55           HA       LEU  55 -13.140   2.372  -0.577
 1009    HG   LEU  55           HG       LEU  55  -9.716   1.412  -1.635
 1010    HB2  LEU  55           HB2      LEU  55 -11.299   3.057  -2.207
 1011    HB3  LEU  55           HB3      LEU  55 -10.432   3.680  -0.822
 1012   HD11  LEU  55          HD11      LEU  55  -9.139   2.192   0.590
 1013   HD12  LEU  55          HD12      LEU  55 -10.675   1.592   1.211
 1014   HD13  LEU  55          HD13      LEU  55  -9.473   0.461   0.594
 1015   HD21  LEU  55          HD21      LEU  55 -11.922   0.515  -2.150
 1016   HD22  LEU  55          HD22      LEU  55 -11.069  -0.513  -0.997
 1017   HD23  LEU  55          HD23      LEU  55 -12.350   0.567  -0.441
 1018    H    LEU  56           HN       LEU  56 -11.450   5.228   0.717
 1019    HA   LEU  56           HA       LEU  56 -11.001   4.130   3.291
 1020    HG   LEU  56           HG       LEU  56 -11.617   7.139   4.576
 1021    HB2  LEU  56           HB2      LEU  56  -9.640   5.936   2.639
 1022    HB3  LEU  56           HB3      LEU  56 -11.014   6.921   2.180
 1023   HD11  LEU  56          HD11      LEU  56  -9.011   5.703   5.043
 1024   HD12  LEU  56          HD12      LEU  56  -9.984   6.497   6.280
 1025   HD13  LEU  56          HD13      LEU  56 -10.621   5.093   5.423
 1026   HD21  LEU  56          HD21      LEU  56 -10.275   8.841   3.445
 1027   HD22  LEU  56          HD22      LEU  56  -9.830   8.688   5.145
 1028   HD23  LEU  56          HD23      LEU  56  -8.806   7.979   3.898
 1029    H    ARG  57           HN       ARG  57 -13.644   5.931   1.856
 1030    HA   ARG  57           HA       ARG  57 -14.958   6.543   4.293
 1031    HE   ARG  57           HE       ARG  57 -16.166   9.613   2.357
 1032    HB2  ARG  57           HB2      ARG  57 -15.318   7.750   2.148
 1033    HB3  ARG  57           HB3      ARG  57 -16.141   6.328   1.523
 1034    HG2  ARG  57           HG2      ARG  57 -17.905   6.562   3.120
 1035    HG3  ARG  57           HG3      ARG  57 -17.041   7.854   3.955
 1036    HD2  ARG  57           HD2      ARG  57 -18.053   7.972   1.116
 1037    HD3  ARG  57           HD3      ARG  57 -18.833   8.718   2.509
 1038   HH11  ARG  57          HH12      ARG  57 -19.241   9.965   0.699
 1039   HH12  ARG  57          HH11      ARG  57 -18.851  11.530   0.061
 1040   HH21  ARG  57          HH22      ARG  57 -15.669  11.683   1.537
 1041   HH22  ARG  57          HH21      ARG  57 -16.829  12.520   0.546
 1042    H    GLN  58           HN       GLN  58 -14.713   3.667   2.448
 1043    HA   GLN  58           HA       GLN  58 -17.216   2.503   2.994
 1044    HB2  GLN  58           HB2      GLN  58 -16.417   0.618   1.981
 1045    HB3  GLN  58           HB3      GLN  58 -15.247   1.783   1.379
 1046    HG2  GLN  58           HG2      GLN  58 -13.763   1.110   3.297
 1047    HG3  GLN  58           HG3      GLN  58 -14.894  -0.208   3.598
 1048   HE21  GLN  58          HE21      GLN  58 -12.119  -0.339   2.883
 1049   HE22  GLN  58          HE22      GLN  58 -12.020  -1.216   1.400
 1050    H    LEU  59           HN       LEU  59 -14.328   2.784   4.963
 1051    HA   LEU  59           HA       LEU  59 -15.628   1.067   6.953
 1052    HG   LEU  59           HG       LEU  59 -11.336   1.223   6.958
 1053    HB2  LEU  59           HB2      LEU  59 -13.413   0.929   8.099
 1054    HB3  LEU  59           HB3      LEU  59 -13.502   0.141   6.547
 1055   HD11  LEU  59          HD11      LEU  59 -12.076   0.914   4.671
 1056   HD12  LEU  59          HD12      LEU  59 -12.857   2.496   4.701
 1057   HD13  LEU  59          HD13      LEU  59 -11.102   2.375   4.839
 1058   HD21  LEU  59          HD21      LEU  59 -12.870   3.812   6.942
 1059   HD22  LEU  59          HD22      LEU  59 -12.021   3.101   8.317
 1060   HD23  LEU  59          HD23      LEU  59 -11.113   3.655   6.910
 1061    H    GLN  60           HN       GLN  60 -15.734   4.111   6.214
 1062    HA   GLN  60           HA       GLN  60 -15.337   5.171   8.908
 1063    HB2  GLN  60           HB2      GLN  60 -16.146   6.531   6.332
 1064    HB3  GLN  60           HB3      GLN  60 -15.998   7.354   7.877
 1065    HG2  GLN  60           HG2      GLN  60 -13.614   6.678   7.948
 1066    HG3  GLN  60           HG3      GLN  60 -13.801   6.000   6.331
 1067   HE21  GLN  60          HE21      GLN  60 -13.655   8.923   8.214
 1068   HE22  GLN  60          HE22      GLN  60 -13.452  10.008   6.879
 1069    HA   PRO  61           HA       PRO  61 -19.599   4.355   9.835
 1070    HB2  PRO  61           HB2      PRO  61 -19.222   6.026  12.202
 1071    HB3  PRO  61           HB3      PRO  61 -19.498   4.285  12.095
 1072    HG2  PRO  61           HG2      PRO  61 -17.125   5.335  12.866
 1073    HG3  PRO  61           HG3      PRO  61 -17.251   3.800  11.986
 1074    HD2  PRO  61           HD2      PRO  61 -16.552   6.525  10.952
 1075    HD3  PRO  61           HD3      PRO  61 -15.817   4.953  10.568
 1076    H    SER  62           HN       SER  62 -18.449   7.132   8.664
 1077    HA   SER  62           HA       SER  62 -20.454   9.000   9.481
 1078    HG   SER  62           HG       SER  62 -18.032   9.269   9.687
 1079    HB2  SER  62           HB2      SER  62 -18.709   9.154   7.015
 1080    HB3  SER  62           HB3      SER  62 -19.454  10.489   7.894
 1081    H    SER  63           HN       SER  63 -20.095   6.660   6.911
 1082    HA   SER  63           HA       SER  63 -22.604   7.622   5.712
 1083    HG   SER  63           HG       SER  63 -20.991   8.801   4.268
 1084    HB2  SER  63           HB2      SER  63 -20.422   6.013   4.365
 1085    HB3  SER  63           HB3      SER  63 -21.837   6.732   3.596
 1086    H    GLN  64           HN       GLN  64 -24.299   6.357   6.048
 1087    HA   GLN  64           HA       GLN  64 -23.874   3.484   6.505
 1088    HB2  GLN  64           HB2      GLN  64 -26.140   5.350   7.152
 1089    HB3  GLN  64           HB3      GLN  64 -26.408   3.618   7.073
 1090    HG2  GLN  64           HG2      GLN  64 -26.086   4.208   9.343
 1091    HG3  GLN  64           HG3      GLN  64 -24.655   3.331   8.811
 1092   HE21  GLN  64          HE21      GLN  64 -22.689   4.348   8.821
 1093   HE22  GLN  64          HE22      GLN  64 -22.456   5.942   9.463
 1094    H    GLY  65           HN       GLY  65 -25.028   1.950   5.277
 1095    HA2  GLY  65           HA1      GLY  65 -25.437   2.734   2.548
 1096    HA3  GLY  65           HA2      GLY  65 -25.635   1.119   3.212
 1097    H    GLY  66           HN       GLY  66 -27.578   1.470   5.093
 1098    HA2  GLY  66           HA1      GLY  66 -29.865   2.357   3.443
 1099    HA3  GLY  66           HA2      GLY  66 -29.909   0.941   4.484
 1100    H    SER  67           HN       SER  67 -29.086   4.394   4.767
 1101    HA   SER  67           HA       SER  67 -30.444   4.403   7.369
 1102    HG   SER  67           HG       SER  67 -27.462   6.916   6.215
 1103    HB2  SER  67           HB2      SER  67 -29.185   6.648   7.575
 1104    HB3  SER  67           HB3      SER  67 -28.241   5.161   7.663
 1105    H    LEU  68           HN       LEU  68 -30.659   5.548   4.152
 1106    HA   LEU  68           HA       LEU  68 -32.579   7.634   4.927
 1107    HG   LEU  68           HG       LEU  68 -33.212   8.402   1.926
 1108    HB2  LEU  68           HB2      LEU  68 -30.686   8.396   3.583
 1109    HB3  LEU  68           HB3      LEU  68 -31.071   7.222   2.343
 1110   HD11  LEU  68          HD11      LEU  68 -33.544  10.634   2.871
 1111   HD12  LEU  68          HD12      LEU  68 -33.525   9.397   4.127
 1112   HD13  LEU  68          HD13      LEU  68 -32.111  10.422   3.878
 1113   HD21  LEU  68          HD21      LEU  68 -31.246   8.887   0.576
 1114   HD22  LEU  68          HD22      LEU  68 -32.211  10.344   0.813
 1115   HD23  LEU  68          HD23      LEU  68 -30.731  10.106   1.741
 1116    H    LEU  69           HN       LEU  69 -34.658   7.181   4.690
 1117    HA   LEU  69           HA       LEU  69 -35.515   5.671   2.353
 1118    HG   LEU  69           HG       LEU  69 -35.850   5.632   6.040
 1119    HB2  LEU  69           HB2      LEU  69 -37.056   4.275   3.665
 1120    HB3  LEU  69           HB3      LEU  69 -35.379   3.951   4.043
 1121   HD11  LEU  69          HD11      LEU  69 -38.118   5.349   6.924
 1122   HD12  LEU  69          HD12      LEU  69 -38.119   6.201   5.379
 1123   HD13  LEU  69          HD13      LEU  69 -38.584   4.501   5.450
 1124   HD21  LEU  69          HD21      LEU  69 -36.361   3.710   7.449
 1125   HD22  LEU  69          HD22      LEU  69 -36.789   2.764   6.023
 1126   HD23  LEU  69          HD23      LEU  69 -35.128   3.307   6.255
 1127    H    ALA  70           HN       ALA  70 -37.454   6.314   1.529
 1128    HA   ALA  70           HA       ALA  70 -39.219   8.023   3.082
 1129    HB1  ALA  70           HB1      ALA  70 -39.204   9.841   1.447
 1130    HB2  ALA  70           HB2      ALA  70 -37.603   9.615   2.154
 1131    HB3  ALA  70           HB3      ALA  70 -37.942   9.015   0.532
 1132    HA   PRO  71           HA       PRO  71 -41.535   5.241   0.297
 1133    HB2  PRO  71           HB2      PRO  71 -43.578   5.274   2.361
 1134    HB3  PRO  71           HB3      PRO  71 -42.606   3.918   1.783
 1135    HG2  PRO  71           HG2      PRO  71 -42.319   5.001   4.262
 1136    HG3  PRO  71           HG3      PRO  71 -40.996   4.217   3.381
 1137    HD2  PRO  71           HD2      PRO  71 -41.588   7.135   3.707
 1138    HD3  PRO  71           HD3      PRO  71 -40.026   6.289   3.756
 1139    H    VAL  72           HN       VAL  72 -42.105   6.708  -1.258
 1140    HA   VAL  72           HA       VAL  72 -44.388   8.459  -0.628
 1141    HB   VAL  72           HB       VAL  72 -42.372   9.734  -1.195
 1142   HG11  VAL  72          HG11      VAL  72 -41.440   9.667  -3.464
 1143   HG12  VAL  72          HG12      VAL  72 -41.239   8.134  -2.617
 1144   HG13  VAL  72          HG13      VAL  72 -42.494   8.306  -3.844
 1145   HG21  VAL  72          HG21      VAL  72 -44.520   9.861  -3.300
 1146   HG22  VAL  72          HG22      VAL  72 -44.512  10.702  -1.750
 1147   HG23  VAL  72          HG23      VAL  72 -43.327  11.123  -2.987
 1148    H    ALA  73           HN       ALA  73 -43.055   6.108  -2.853
 1149    HA   ALA  73           HA       ALA  73 -45.151   6.326  -4.786
 1150    HB1  ALA  73           HB1      ALA  73 -42.914   5.427  -5.321
 1151    HB2  ALA  73           HB2      ALA  73 -43.258   4.025  -4.306
 1152    HB3  ALA  73           HB3      ALA  73 -44.213   4.316  -5.760
 1153    H    ARG  74           HN       ARG  74 -47.159   5.819  -4.392
 1154    HA   ARG  74           HA       ARG  74 -49.035   4.716  -3.801
 1155    HE   ARG  74           HE       ARG  74 -50.089   1.472  -4.964
 1156    HB2  ARG  74           HB2      ARG  74 -47.278   2.401  -2.994
 1157    HB3  ARG  74           HB3      ARG  74 -49.004   2.353  -3.326
 1158    HG2  ARG  74           HG2      ARG  74 -48.410   3.150  -5.668
 1159    HG3  ARG  74           HG3      ARG  74 -46.744   2.740  -5.257
 1160    HD2  ARG  74           HD2      ARG  74 -47.673   0.858  -6.368
 1161    HD3  ARG  74           HD3      ARG  74 -47.568   0.447  -4.656
 1162   HH11  ARG  74          HH12      ARG  74 -48.274  -1.199  -6.312
 1163   HH12  ARG  74          HH11      ARG  74 -49.691  -2.121  -6.736
 1164   HH21  ARG  74          HH22      ARG  74 -51.948   0.271  -5.490
 1165   HH22  ARG  74          HH21      ARG  74 -51.793  -1.278  -6.265
 1166    H    ASN  75           HN       ASN  75 -46.515   5.221  -1.614
 1167    HA   ASN  75           HA       ASN  75 -46.438   5.846   0.551
 1168    HB2  ASN  75           HB2      ASN  75 -48.392   7.237   0.081
 1169    HB3  ASN  75           HB3      ASN  75 -49.458   5.866   0.369
 1170   HD21  ASN  75          HD21      ASN  75 -47.252   8.137   1.842
 1171   HD22  ASN  75          HD22      ASN  75 -47.822   7.932   3.469
 1172    H    GLY  76           HN       GLY  76 -49.410   3.917   0.714
 1173    HA2  GLY  76           HA1      GLY  76 -48.090   1.599   1.742
 1174    HA3  GLY  76           HA2      GLY  76 -48.848   2.537   3.021
 1175    H    ARG  77           HN       ARG  77 -50.128   2.398  -0.211
 1176    HA   ARG  77           HA       ARG  77 -52.453   0.972   0.875
 1177    HE   ARG  77           HE       ARG  77 -54.906   2.654   1.120
 1178    HB2  ARG  77           HB2      ARG  77 -53.039   3.183   0.133
 1179    HB3  ARG  77           HB3      ARG  77 -52.243   2.932  -1.414
 1180    HG2  ARG  77           HG2      ARG  77 -54.740   2.821  -1.469
 1181    HG3  ARG  77           HG3      ARG  77 -53.917   1.409  -2.130
 1182    HD2  ARG  77           HD2      ARG  77 -55.832   0.781  -0.735
 1183    HD3  ARG  77           HD3      ARG  77 -54.313   0.179  -0.080
 1184   HH11  ARG  77          HH12      ARG  77 -56.024  -0.665   1.039
 1185   HH12  ARG  77          HH11      ARG  77 -56.733  -0.603   2.625
 1186   HH21  ARG  77          HH22      ARG  77 -55.818   2.731   3.228
 1187   HH22  ARG  77          HH21      ARG  77 -56.607   1.328   3.870
 1188    H    LEU  78           HN       LEU  78 -51.934  -1.112   0.526
 1189    HA   LEU  78           HA       LEU  78 -52.378  -2.097  -2.118
 1190    HG   LEU  78           HG       LEU  78 -50.524  -4.581  -2.128
 1191    HB2  LEU  78           HB2      LEU  78 -49.953  -1.614  -2.240
 1192    HB3  LEU  78           HB3      LEU  78 -49.691  -2.637  -0.840
 1193   HD11  LEU  78          HD11      LEU  78 -50.770  -4.386  -4.553
 1194   HD12  LEU  78          HD12      LEU  78 -51.962  -3.410  -3.696
 1195   HD13  LEU  78          HD13      LEU  78 -50.557  -2.640  -4.434
 1196   HD21  LEU  78          HD21      LEU  78 -48.559  -4.795  -3.586
 1197   HD22  LEU  78          HD22      LEU  78 -48.234  -3.072  -3.381
 1198   HD23  LEU  78          HD23      LEU  78 -48.140  -4.158  -1.995